smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1nc2ccccc2nc1[N-]S(=O)(=O)c1cccs1 ZINC001164636476 719238884 /nfs/dbraw/zinc/23/88/84/719238884.db2.gz TUWSCDWGBIDRFK-UONOGXRCSA-N 0 1 417.560 3.021 20 0 HGADMN Cc1nc(CN2CCCC23CCN(c2cc(C(N)=O)cc(Cl)n2)CC3)cs1 ZINC001164691196 719804235 /nfs/dbraw/zinc/80/42/35/719804235.db2.gz FLQWQUVWKQJIEY-UHFFFAOYSA-N 0 1 405.955 3.234 20 0 HGADMN COC(=O)c1cc(OC)cnc1N1CCC2(CCCN2Cc2csc(C)n2)CC1 ZINC001164691921 719806548 /nfs/dbraw/zinc/80/65/48/719806548.db2.gz AOXWGXCDFQFIFV-UHFFFAOYSA-N 0 1 416.547 3.277 20 0 HGADMN CCOC(=O)c1cc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)ncn1 ZINC001164691949 719806846 /nfs/dbraw/zinc/80/68/46/719806846.db2.gz BEPCGPSNVVJOKL-UHFFFAOYSA-N 0 1 401.536 3.053 20 0 HGADMN CCOC(=O)c1ncnc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)c1C ZINC001164693063 719809580 /nfs/dbraw/zinc/80/95/80/719809580.db2.gz PLIDOVLMOIQJMX-UHFFFAOYSA-N 0 1 415.563 3.362 20 0 HGADMN CON(C)C(=O)c1cccnc1N1CCC2(CCCN2Cc2csc(C)n2)CC1 ZINC001164691564 719812045 /nfs/dbraw/zinc/81/20/45/719812045.db2.gz HJUUNTNNZRGJQD-UHFFFAOYSA-N 0 1 415.563 3.115 20 0 HGADMN CCOC(=O)c1c(C)cc(Cl)nc1N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164725921 720363891 /nfs/dbraw/zinc/36/38/91/720363891.db2.gz OEPBAFHQYGLFHE-DLBZAZTESA-N 0 1 400.910 3.468 20 0 HGADMN COc1cccc(-c2ccc(N3CCc4ncc(CN5CCCC5)n4CC3)nn2)c1 ZINC001164736992 720582686 /nfs/dbraw/zinc/58/26/86/720582686.db2.gz XPNRBPHHCJHULH-UHFFFAOYSA-N 0 1 404.518 3.007 20 0 HGADMN Fc1cccc(F)c1-c1ccc(N2CCc3ncc(CN4CCCC4)n3CC2)nn1 ZINC001164736923 720586113 /nfs/dbraw/zinc/58/61/13/720586113.db2.gz VXJPBTONZWDRKK-UHFFFAOYSA-N 0 1 410.472 3.277 20 0 HGADMN Cc1cc2nc(Cl)c(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2cc1C ZINC001164742340 720726054 /nfs/dbraw/zinc/72/60/54/720726054.db2.gz OEMRUNCMTDEAAR-JKSUJKDBSA-N 0 1 410.909 3.032 20 0 HGADMN Clc1cc(C2CCCCC2)nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164752831 720802175 /nfs/dbraw/zinc/80/21/75/720802175.db2.gz ZZZIKJIITDDGBR-SJORKVTESA-N 0 1 414.941 3.310 20 0 HGADMN CCOC(=O)c1cc2cccnc2nc1N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164862472 720959769 /nfs/dbraw/zinc/95/97/69/720959769.db2.gz VSMCUZMHQDRCEI-MRXNPFEDSA-N 0 1 422.533 3.424 20 0 HGADMN COc1cc2ncnc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)c2c(OC)c1 ZINC001164864190 720970034 /nfs/dbraw/zinc/97/00/34/720970034.db2.gz ZEZFLMCDBLZCPI-OAHLLOKOSA-N 0 1 410.522 3.265 20 0 HGADMN FC(F)(Oc1ccnc(Cl)c1)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164879584 721181972 /nfs/dbraw/zinc/18/19/72/721181972.db2.gz UDIGHNNDKNNTOB-DOTOQJQBSA-N 0 1 410.852 3.034 20 0 HGADMN Cn1cc(CN2CC[C@H]3CN(c4ccc(-c5c(F)cccc5F)nn4)C[C@@H]3C2)cn1 ZINC001164771884 721215887 /nfs/dbraw/zinc/21/58/87/721215887.db2.gz RRZFJMUFEABVPG-IRXDYDNUSA-N 0 1 410.472 3.114 20 0 HGADMN CCN1CC[C@@]2(CN(c3ccc4c(n3)CCN(Cc3ccccc3)C4)C[C@H]2C)C1=O ZINC001164777293 721317970 /nfs/dbraw/zinc/31/79/70/721317970.db2.gz JNQWZOGNMFFMMW-CLOONOSVSA-N 0 1 404.558 3.335 20 0 HGADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ccc4nc(C)n(C)c4n3)C2)C1 ZINC001164777210 721350347 /nfs/dbraw/zinc/35/03/47/721350347.db2.gz FCDDKNXYJXKYCB-QHCPKHFHSA-N 0 1 424.549 3.001 20 0 HGADMN CCCc1cc(N2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)nc(C)n1 ZINC001164785313 721358433 /nfs/dbraw/zinc/35/84/33/721358433.db2.gz UJYNPZRHKHGHRH-HSZRJFAPSA-N 0 1 413.566 3.461 20 0 HGADMN Cc1c(Cl)cnc(Cl)c1N1CC[C@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001164892251 721429189 /nfs/dbraw/zinc/42/91/89/721429189.db2.gz HUDWMBZRMNMKFN-UZLBHIALSA-N 0 1 413.393 3.462 20 0 HGADMN CSc1cc(Cl)cnc1N1CC[C@@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001164898302 721430210 /nfs/dbraw/zinc/43/02/10/721430210.db2.gz VQLKUDZYNWPSNZ-YLJYHZDGSA-N 0 1 411.015 3.222 20 0 HGADMN COC(=O)c1ccc(Cl)c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164911996 721537906 /nfs/dbraw/zinc/53/79/06/721537906.db2.gz YAHCNUJIPHWLSA-GOEBONIOSA-N 0 1 405.857 3.003 20 0 HGADMN Nc1cc(Cl)nc(C(F)(F)N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164906392 721539916 /nfs/dbraw/zinc/53/99/16/721539916.db2.gz KJKXONDGZZDMOP-ZBFHGGJFSA-N 0 1 412.843 3.343 20 0 HGADMN COC(=O)c1ccnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164907042 721584829 /nfs/dbraw/zinc/58/48/29/721584829.db2.gz QMSQHXHQIBKKBH-HXUWFJFHSA-N 0 1 402.445 3.001 20 0 HGADMN CN(Cc1cccnc1)[C@@H]1CN(c2nc(C3CC3)nc3[nH]ccc32)[C@@H]2CCCO[C@H]12 ZINC001164805652 721588667 /nfs/dbraw/zinc/58/86/67/721588667.db2.gz LKDPEGSNEXMNGU-AQNXPRMDSA-N 0 1 404.518 3.099 20 0 HGADMN CN(C)C(=O)CN1CCC2(CCCN2c2cc(-c3ccnc(Cl)c3)ccn2)CC1 ZINC001165010160 721733812 /nfs/dbraw/zinc/73/38/12/721733812.db2.gz DAQZBOWNPBIWGB-UHFFFAOYSA-N 0 1 413.953 3.320 20 0 HGADMN c1ccc(CN2CCc3nc(N4C[C@H](OCC5CC5)[C@H]5COC[C@@H]54)ccc3C2)cc1 ZINC001165016482 721761431 /nfs/dbraw/zinc/76/14/31/721761431.db2.gz WVPQAZWBLZHWRH-XWGVYQGASA-N 0 1 405.542 3.270 20 0 HGADMN COc1cccc(OC)c1CN1CCC(N(C)c2ncc(OC(F)F)cn2)CC1 ZINC001165021998 721842043 /nfs/dbraw/zinc/84/20/43/721842043.db2.gz LSYXFDHQILGWRP-UHFFFAOYSA-N 0 1 408.449 3.196 20 0 HGADMN COc1cccc(OC)c1CN1CCC(N(C)[C@@H](F)Oc2cncc(Cl)n2)CC1 ZINC001165029722 721844834 /nfs/dbraw/zinc/84/48/34/721844834.db2.gz APRSGBBKTZVMBM-HXUWFJFHSA-N 0 1 424.904 3.376 20 0 HGADMN Cc1ccc(CN2CCOC3(CCN(c4ccc(C(=O)OC(C)C)nn4)CC3)C2)cc1 ZINC001164941017 721923057 /nfs/dbraw/zinc/92/30/57/721923057.db2.gz YUDQPLYJLZTCDS-UHFFFAOYSA-N 0 1 424.545 3.222 20 0 HGADMN CC(C)(c1ccnc(Cl)c1)N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 ZINC001164946394 721981935 /nfs/dbraw/zinc/98/19/35/721981935.db2.gz DUBLRWOPJAQBQC-UHFFFAOYSA-N 0 1 412.965 3.437 20 0 HGADMN CSc1nc(Cl)cc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164959527 722052641 /nfs/dbraw/zinc/05/26/41/722052641.db2.gz MJPILBXNZHEACS-UHFFFAOYSA-N 0 1 419.982 3.366 20 0 HGADMN Fc1ccc2ncc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)nc2c1 ZINC001164963073 722055322 /nfs/dbraw/zinc/05/53/22/722055322.db2.gz HAELLJRDUVQCMD-UHFFFAOYSA-N 0 1 407.493 3.283 20 0 HGADMN Cc1nnc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c2ccccc12 ZINC001164962211 722059192 /nfs/dbraw/zinc/05/91/92/722059192.db2.gz QDXRAVUPRHHVRD-UHFFFAOYSA-N 0 1 403.530 3.452 20 0 HGADMN CC(=O)N1[C@@H]2CCN(C(C)(C)c3ccnc(Cl)c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164970768 722081286 /nfs/dbraw/zinc/08/12/86/722081286.db2.gz RLUQSBMMLFKMLP-NZSAHSFTSA-N 0 1 401.942 3.178 20 0 HGADMN COC(=O)Cc1c(Cl)ncnc1N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164993996 722197211 /nfs/dbraw/zinc/19/72/11/722197211.db2.gz KKPZFWNJHGMIDU-OAQYLSRUSA-N 0 1 418.900 3.230 20 0 HGADMN CON(C)C(=O)c1cc(C)cnc1N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164993773 722205733 /nfs/dbraw/zinc/20/57/33/722205733.db2.gz BEMMRNIKXOIOOX-HSZRJFAPSA-N 0 1 412.509 3.407 20 0 HGADMN COC(=O)CSc1cncc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)n1 ZINC001164993730 722209696 /nfs/dbraw/zinc/20/96/96/722209696.db2.gz AFZWXQYORQQWEA-NRFANRHFSA-N 0 1 416.522 3.126 20 0 HGADMN Fc1cccc(CN2CC[C@@]23CCCN(c2cc(N4CCSCC4)ncn2)C3)c1 ZINC001164997847 722211001 /nfs/dbraw/zinc/21/10/01/722211001.db2.gz SLCSSIDFCUSMER-JOCHJYFZSA-N 0 1 413.566 3.414 20 0 HGADMN CC(C)CN1c2ccccc2[C@H]2CN(c3ccc(N4CCN(C)CC4)nn3)CC[C@H]21 ZINC001165003693 722245432 /nfs/dbraw/zinc/24/54/32/722245432.db2.gz LMKVGHMWEPVXSN-IFMALSPDSA-N 0 1 406.578 3.067 20 0 HGADMN COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001123268588 939817625 /nfs/dbraw/zinc/81/76/25/939817625.db2.gz SSMROTZMJDVGSA-DCLXLUIPSA-N 0 1 408.498 3.034 20 0 HGADMN CC(C)COc1ccc(CC(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001263628378 939829030 /nfs/dbraw/zinc/82/90/30/939829030.db2.gz SOYPYYPPPNEHIV-VWLOTQADSA-N 0 1 424.541 3.500 20 0 HGADMN CCn1c(Br)c(Br)nc1CN[C@@H](CO)Cc1ccccc1 ZINC001202074561 1126157128 /nfs/dbraw/zinc/15/71/28/1126157128.db2.gz PNPHKZHRFYUJLT-GFCCVEGCSA-N 0 1 417.145 3.121 20 0 HGADMN OC[C@H](Cc1ccc(F)cc1)NCc1ccc(F)cc1I ZINC001202233198 1126157199 /nfs/dbraw/zinc/15/71/99/1126157199.db2.gz ISGURMXYEUBDHL-HNNXBMFYSA-N 0 1 403.210 3.263 20 0 HGADMN Cc1c(O)ccc2c(CN[C@@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)cc(=O)oc12 ZINC001460697514 1126191858 /nfs/dbraw/zinc/19/18/58/1126191858.db2.gz RXKGCRAYSLBRMQ-OXJNMPFZSA-N 0 1 407.388 3.431 20 0 HGADMN COc1nsc(CN[C@@](C)(CO)Cc2ccc(OC)cc2)c1Br ZINC001461737144 1126196833 /nfs/dbraw/zinc/19/68/33/1126196833.db2.gz ULZDRCWBTLCRSU-MRXNPFEDSA-N 0 1 401.326 3.006 20 0 HGADMN COc1ccc(C[C@@](C)(CO)NCc2nccc(C)c2Br)cc1OC ZINC001474257728 1126204074 /nfs/dbraw/zinc/20/40/74/1126204074.db2.gz MKMGVPLFLUNUJR-IBGZPJMESA-N 0 1 409.324 3.253 20 0 HGADMN CN1CCO[C@@H]2CN(c3nc(-c4cccnc4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC000301684046 719434201 /nfs/dbraw/zinc/43/42/01/719434201.db2.gz WIDIEGFCNZTWRM-IAGOWNOFSA-N 0 1 407.543 3.151 20 0 HGADMN CNC(=O)CN1CCCC12CCN(C(F)(F)c1ccc(Cl)c(Cl)n1)CC2 ZINC001164687328 719717198 /nfs/dbraw/zinc/71/71/98/719717198.db2.gz WDUMNTBUKQNHTB-UHFFFAOYSA-N 0 1 407.292 3.114 20 0 HGADMN Cc1nc(CN2CCCC23CCN(c2nc(Cl)ccc2C(N)=O)CC3)cs1 ZINC001164692899 719809182 /nfs/dbraw/zinc/80/91/82/719809182.db2.gz NNMQKTDORAWKLF-UHFFFAOYSA-N 0 1 405.955 3.234 20 0 HGADMN COc1cnc(SC)nc1N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164696111 719887470 /nfs/dbraw/zinc/88/74/70/719887470.db2.gz XMPPJAYLMCPSSY-UHFFFAOYSA-N 0 1 406.577 3.140 20 0 HGADMN CCOC(=O)c1cnc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)c(C)c1 ZINC001164695704 719889816 /nfs/dbraw/zinc/88/98/16/719889816.db2.gz RSLBVHNWFPFKPT-UHFFFAOYSA-N 0 1 415.559 3.500 20 0 HGADMN CCOC(=O)c1cc2ncnc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c2s1 ZINC001164734252 720411188 /nfs/dbraw/zinc/41/11/88/720411188.db2.gz RHIZQKCUCXNJIA-IAGOWNOFSA-N 0 1 409.515 3.116 20 0 HGADMN FC(F)(c1cnc(Cl)nc1Cl)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164734286 720551233 /nfs/dbraw/zinc/55/12/33/720551233.db2.gz YQFXZLCILBGDJN-UHFFFAOYSA-N 0 1 417.291 3.183 20 0 HGADMN Fc1cc2nc(Cl)c(N3CCc4ncc(CN5CCCC5)n4CC3)nc2cc1F ZINC001164730405 720561594 /nfs/dbraw/zinc/56/15/94/720561594.db2.gz VGFAXNDOTGSKOO-UHFFFAOYSA-N 0 1 418.879 3.416 20 0 HGADMN Clc1cccc2nc(Cl)c(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nc12 ZINC001164742757 720800764 /nfs/dbraw/zinc/80/07/64/720800764.db2.gz DMYSRNGNJPMXAM-QWHCGFSZSA-N 0 1 417.300 3.069 20 0 HGADMN CC(C)N(C)Cc1cnc2n1CCN(c1ncnc3cc4c(cc31)OCCO4)[C@H]2C ZINC001164860044 720934511 /nfs/dbraw/zinc/93/45/11/720934511.db2.gz PLKATVZPQCQCCW-HNNXBMFYSA-N 0 1 408.506 3.019 20 0 HGADMN COC(=O)c1cc(Cl)c(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)nc1C ZINC001164864793 721017922 /nfs/dbraw/zinc/01/79/22/721017922.db2.gz ZMDTVXQIBIWHNN-CQSZACIVSA-N 0 1 405.930 3.448 20 0 HGADMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)nc4Cl)C[C@@H]3C2)cn1 ZINC001164772613 721078088 /nfs/dbraw/zinc/07/80/88/721078088.db2.gz VFWJQXRZNREDML-OLZOCXBDSA-N 0 1 417.291 3.020 20 0 HGADMN FC(F)(COc1ccnc(Cl)c1)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164863403 721083465 /nfs/dbraw/zinc/08/34/65/721083465.db2.gz CGCDYNSVKZDEGB-AEFFLSMTSA-N 0 1 424.879 3.077 20 0 HGADMN COc1ccc(C(F)(F)N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1Cl ZINC001164863703 721100103 /nfs/dbraw/zinc/10/01/03/721100103.db2.gz CZIOHTXYJYXUQL-HZPDHXFCSA-N 0 1 424.879 3.163 20 0 HGADMN Cn1cc(CN2CC[C@H]3CN(c4nccnc4C4SCCCS4)C[C@@H]3C2)cn1 ZINC001164770582 721104975 /nfs/dbraw/zinc/10/49/75/721104975.db2.gz RAJIKPMEZLJXLP-IRXDYDNUSA-N 0 1 416.620 3.037 20 0 HGADMN Cn1cc(CN2CC[C@@H]3CN(c4nccnc4C4SCCCS4)C[C@@H]3C2)cn1 ZINC001164770583 721105807 /nfs/dbraw/zinc/10/58/07/721105807.db2.gz RAJIKPMEZLJXLP-SJORKVTESA-N 0 1 416.620 3.037 20 0 HGADMN c1ccc(Oc2nccnc2N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)cc1 ZINC001164880717 721170692 /nfs/dbraw/zinc/17/06/92/721170692.db2.gz XFFPBOWCGUYYJV-TZIWHRDSSA-N 0 1 403.486 3.144 20 0 HGADMN c1ccc(Oc2nccnc2N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)cc1 ZINC001164880715 721172224 /nfs/dbraw/zinc/17/22/24/721172224.db2.gz XFFPBOWCGUYYJV-FPOVZHCZSA-N 0 1 403.486 3.144 20 0 HGADMN Cn1cc(CN2CC[C@@H]3CN(c4nccc(Oc5cccc(F)c5)n4)C[C@H]3C2)cn1 ZINC001164762623 721177911 /nfs/dbraw/zinc/17/79/11/721177911.db2.gz DBEKQAOSKQAYJM-QZTJIDSGSA-N 0 1 408.481 3.100 20 0 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ZINC001165044016 721960525 /nfs/dbraw/zinc/96/05/25/721960525.db2.gz CFUQURUSUDNJFI-UHFFFAOYSA-N 0 1 421.497 3.231 20 0 HGADMN Clc1nc2ncccc2c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164961947 722053667 /nfs/dbraw/zinc/05/36/67/722053667.db2.gz ZPQNIQGZCLMRQA-UHFFFAOYSA-N 0 1 424.936 3.192 20 0 HGADMN CCOC(=O)c1cnc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c(C)c1 ZINC001164962264 722054499 /nfs/dbraw/zinc/05/44/99/722054499.db2.gz CCYIWLICADGEKY-UHFFFAOYSA-N 0 1 424.545 3.081 20 0 HGADMN Cc1nc(C)c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c(Cl)n1 ZINC001164964327 722055106 /nfs/dbraw/zinc/05/51/06/722055106.db2.gz UYZVSJFDDCSAPB-UHFFFAOYSA-N 0 1 401.942 3.261 20 0 HGADMN Cc1nc(Cl)c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc1C ZINC001164962232 722056081 /nfs/dbraw/zinc/05/60/81/722056081.db2.gz BWZMOSSGOLLHGS-UHFFFAOYSA-N 0 1 401.942 3.261 20 0 HGADMN Clc1cccc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ncc12 ZINC001164975107 722123132 /nfs/dbraw/zinc/12/31/32/722123132.db2.gz JLCPAMYMXYSYAU-LAUBAEHRSA-N 0 1 409.921 3.406 20 0 HGADMN CC(C)CN1c2ccccc2[C@H]2CN(c3ccc(N4CCN(C)CC4)nn3)CC[C@@H]21 ZINC001165003695 722245235 /nfs/dbraw/zinc/24/52/35/722245235.db2.gz LMKVGHMWEPVXSN-IRLDBZIGSA-N 0 1 406.578 3.067 20 0 HGADMN C[C@@](NC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)(C(=O)[O-])C1CC1 ZINC000780433338 939121070 /nfs/dbraw/zinc/12/10/70/939121070.db2.gz SJEOCRVAMNKVJZ-GCJKJVERSA-N 0 1 413.543 3.400 20 0 HGADMN C[C@@](NC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)(C(=O)[O-])C1CC1 ZINC000780433338 939121071 /nfs/dbraw/zinc/12/10/71/939121071.db2.gz SJEOCRVAMNKVJZ-GCJKJVERSA-N 0 1 413.543 3.400 20 0 HGADMN O=C([O-])C1(NC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CCCCC1 ZINC000780575060 939136659 /nfs/dbraw/zinc/13/66/59/939136659.db2.gz LEJJDYWTBHBZQN-INIZCTEOSA-N 0 1 413.440 3.366 20 0 HGADMN Cc1ccc(-c2cc(C(=O)N[C@@]3(C(=O)[O-])CCC[N@@H+](Cc4ccccc4)C3)on2)cc1 ZINC001123371855 939821514 /nfs/dbraw/zinc/82/15/14/939821514.db2.gz CXHWSIJNNZMCNC-DEOSSOPVSA-N 0 1 419.481 3.499 20 0 HGADMN COc1ccccc1C[C@](C)(CO)NCc1ccccc1I ZINC001179277466 1126151612 /nfs/dbraw/zinc/15/16/12/1126151612.db2.gz HREULJDWHZPWGB-GOSISDBHSA-N 0 1 411.283 3.383 20 0 HGADMN COC(=O)c1ccc(-c2nc(CN[C@@](C)(CO)Cc3ccccc3OC)co2)cc1 ZINC001197303266 1126154170 /nfs/dbraw/zinc/15/41/70/1126154170.db2.gz CBBVLILSHQWIEW-HSZRJFAPSA-N 0 1 410.470 3.220 20 0 HGADMN Cc1ccccc1C[C@@H](CO)NCc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC001205425610 1126159377 /nfs/dbraw/zinc/15/93/77/1126159377.db2.gz BEHYJSOIVIFEFP-SFHVURJKSA-N 0 1 401.507 3.011 20 0 HGADMN C[C@@](CO)(Cc1ccc(Br)cc1)NCc1nc2ccccc2c(=O)[nH]1 ZINC001308118934 1126164147 /nfs/dbraw/zinc/16/41/47/1126164147.db2.gz WNPUUYSAGHVMOU-IBGZPJMESA-N 0 1 402.292 3.181 20 0 HGADMN COc1ccccc1C[C@](C)(CO)NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC001308885426 1126168697 /nfs/dbraw/zinc/16/86/97/1126168697.db2.gz CVWZQJKZBSJQJJ-HXUWFJFHSA-N 0 1 404.873 3.152 20 0 HGADMN COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2-n2cc[nH+]c2C)cs1 ZINC000408518701 559213549 /nfs/dbraw/zinc/21/35/49/559213549.db2.gz VOWAOLBVKJAFTI-UHFFFAOYSA-N 0 1 411.892 3.483 20 0 HGADMN COC(=O)c1cc(CN2CCC[C@@H](c3nn(-c4ccccc4)cc3C(N)=O)C2)c[nH]1 ZINC000328602559 569416616 /nfs/dbraw/zinc/41/66/16/569416616.db2.gz CBRPZDKLZPJPDH-MRXNPFEDSA-N 0 1 407.474 3.250 20 0 HGADMN CCOC(=O)c1nccc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)n1 ZINC001164691265 719814703 /nfs/dbraw/zinc/81/47/03/719814703.db2.gz CFKLCLGJAYKEMM-UHFFFAOYSA-N 0 1 401.536 3.053 20 0 HGADMN CCOC(=O)c1cccc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)n1 ZINC001164695265 719890638 /nfs/dbraw/zinc/89/06/38/719890638.db2.gz KKVOBLPUWDFJNO-UHFFFAOYSA-N 0 1 401.532 3.191 20 0 HGADMN CC(C)COc1cncc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)n1 ZINC001164705945 719898237 /nfs/dbraw/zinc/89/82/37/719898237.db2.gz GHAKHUFQNUBBJV-UHFFFAOYSA-N 0 1 402.564 3.444 20 0 HGADMN FC(F)(COc1ccnc(Cl)c1)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164729680 720564353 /nfs/dbraw/zinc/56/43/53/720564353.db2.gz SPMSOUWYCWVSSV-UHFFFAOYSA-N 0 1 411.884 3.057 20 0 HGADMN COc1ccc(C(F)(F)N2CCc3ncc(CN4CCCC4)n3CC2)nc1Cl ZINC001164728136 720570766 /nfs/dbraw/zinc/57/07/66/720570766.db2.gz KEOHGRYCAMLYSM-UHFFFAOYSA-N 0 1 411.884 3.144 20 0 HGADMN FC(F)(c1cc(C2CC2)nnc1Cl)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164737021 720584678 /nfs/dbraw/zinc/58/46/78/720584678.db2.gz YVDZORROSBINFY-UHFFFAOYSA-N 0 1 422.911 3.407 20 0 HGADMN Clc1cnc2cc(Cl)c(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)cc2n1 ZINC001164740616 720679182 /nfs/dbraw/zinc/67/91/82/720679182.db2.gz RCTOBJARSGODIU-CHWSQXEVSA-N 0 1 417.300 3.069 20 0 HGADMN CCCCOc1cnc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(Cl)c1 ZINC001164739012 720745681 /nfs/dbraw/zinc/74/56/81/720745681.db2.gz HMFLRRJXFFTFGV-RDJZCZTQSA-N 0 1 403.914 3.046 20 0 HGADMN CC(C)N(C)Cc1cnc2n1CCN(c1nccc(C(=O)OC(C)(C)C)n1)[C@@H]2C ZINC001164861743 720972394 /nfs/dbraw/zinc/97/23/94/720972394.db2.gz QOGQUOCUIAHRAH-OAHLLOKOSA-N 0 1 400.527 3.050 20 0 HGADMN CSc1nc2ncnc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)c2s1 ZINC001164859758 720983387 /nfs/dbraw/zinc/98/33/87/720983387.db2.gz MLKFCSDNXQYDEJ-LBPRGKRZSA-N 0 1 403.581 3.426 20 0 HGADMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4cc(Cl)nc(Cl)n4)C[C@H]3C2)cn1 ZINC001164773722 721079084 /nfs/dbraw/zinc/07/90/84/721079084.db2.gz YDXFAAFOAZAINO-CHWSQXEVSA-N 0 1 417.291 3.020 20 0 HGADMN Fc1ccc(Cl)nc1C(F)(F)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864058 721084440 /nfs/dbraw/zinc/08/44/40/721084440.db2.gz DSUHZOQAMQHPLQ-LSDHHAIUSA-N 0 1 412.843 3.294 20 0 HGADMN Cc1ccc(Cl)nc1C(F)(F)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164864556 721109098 /nfs/dbraw/zinc/10/90/98/721109098.db2.gz GGSVBLCBVINJRS-IAGOWNOFSA-N 0 1 408.880 3.463 20 0 HGADMN Cn1cc(CN2CC[C@H]3CN(c4cc(Cl)nc(Cc5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164763353 721111295 /nfs/dbraw/zinc/11/12/95/721111295.db2.gz FGOTXAKTBRUPAS-VQTJNVASSA-N 0 1 422.964 3.413 20 0 HGADMN Cn1cc(CN2CC[C@H]3CN(c4cc(SCc5ccccc5)ncn4)C[C@@H]3C2)cn1 ZINC001164769141 721222709 /nfs/dbraw/zinc/22/27/09/721222709.db2.gz LTHOJZYGUHIPQB-SFTDATJTSA-N 0 1 420.586 3.461 20 0 HGADMN CCN1CC[C@@]2(CN(c3ccc4c(n3)CCN(Cc3ccccc3)C4)C[C@@H]2C)C1=O ZINC001164777295 721317796 /nfs/dbraw/zinc/31/77/96/721317796.db2.gz JNQWZOGNMFFMMW-DFBJGRDBSA-N 0 1 404.558 3.335 20 0 HGADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ncnc4[nH]c(C)c(C)c43)C2)C1 ZINC001164776196 721352414 /nfs/dbraw/zinc/35/24/14/721352414.db2.gz ALEZDMYMSAEIGZ-HSZRJFAPSA-N 0 1 424.549 3.299 20 0 HGADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(Cl)nc4)C3)O2)CC1 ZINC001164894119 721377732 /nfs/dbraw/zinc/37/77/32/721377732.db2.gz XTEGBPQQDUMJDL-IEBWSBKVSA-N 0 1 414.928 3.045 20 0 HGADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(Cl)nc4)C3)O2)CC1 ZINC001164894118 721378081 /nfs/dbraw/zinc/37/80/81/721378081.db2.gz XTEGBPQQDUMJDL-HKUYNNGSSA-N 0 1 414.928 3.045 20 0 HGADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nccc5c(Cl)ccnc54)C3)O2)CC1 ZINC001164888482 721390694 /nfs/dbraw/zinc/39/06/94/721390694.db2.gz JJHSVDBEJZGZFS-VGSWGCGISA-N 0 1 415.969 3.049 20 0 HGADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncnc5ccc(Cl)cc54)C3)O2)CC1 ZINC001164892258 721392716 /nfs/dbraw/zinc/39/27/16/721392716.db2.gz SMSKQCDKAVEKKO-AVRDEDQJSA-N 0 1 415.969 3.049 20 0 HGADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ncnc5ccc(Cl)cc54)C3)O2)CC1 ZINC001164892264 721392843 /nfs/dbraw/zinc/39/28/43/721392843.db2.gz SMSKQCDKAVEKKO-XMSQKQJNSA-N 0 1 415.969 3.049 20 0 HGADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncnc5cc(Cl)ccc54)C3)O2)CC1 ZINC001164887675 721401188 /nfs/dbraw/zinc/40/11/88/721401188.db2.gz MDPMKZSLFIDZKW-GCJKJVERSA-N 0 1 415.969 3.049 20 0 HGADMN COc1ccc2nc(N3CC[C@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)ccc2c1 ZINC001164890963 721401191 /nfs/dbraw/zinc/40/11/91/721401191.db2.gz UUGYKAGAZRSWAH-URXFXBBRSA-N 0 1 410.562 3.009 20 0 HGADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nc5ccccc5nc4Cl)C3)O2)CC1 ZINC001164885696 721403177 /nfs/dbraw/zinc/40/31/77/721403177.db2.gz HAWCRWROMBMIKG-VGOFRKELSA-N 0 1 415.969 3.049 20 0 HGADMN CCc1cc2c(ncnc2N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)s1 ZINC001164883921 721409243 /nfs/dbraw/zinc/40/92/43/721409243.db2.gz CRDOKZNDEQMVCY-VGOFRKELSA-N 0 1 415.607 3.019 20 0 HGADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncc5ccc(Cl)cc5n4)C3)O2)CC1 ZINC001164884549 721418924 /nfs/dbraw/zinc/41/89/24/721418924.db2.gz DUUYYIXZKGTTSW-SIKLNZKXSA-N 0 1 415.969 3.049 20 0 HGADMN COC(=O)c1cc2c(N3C[C@H]4CN(Cc5nccs5)C[C@H]4C3)[nH]c(Cl)cc-2n1 ZINC001164785519 721419728 /nfs/dbraw/zinc/41/97/28/721419728.db2.gz MZIJHWVWELGWPW-TXEJJXNPSA-N 0 1 417.922 3.028 20 0 HGADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4cc5c(Cl)ccnc5cn4)C3)O2)CC1 ZINC001164892998 721421217 /nfs/dbraw/zinc/42/12/17/721421217.db2.gz ZUXCSUANCPIBOW-VGOFRKELSA-N 0 1 415.969 3.049 20 0 HGADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc5nccc(Cl)c5n4)C3)O2)CC1 ZINC001164894925 721429104 /nfs/dbraw/zinc/42/91/04/721429104.db2.gz NKVOIRPTHUHLRH-JTSKRJEESA-N 0 1 415.969 3.049 20 0 HGADMN Cc1c(Cl)cnc(Cl)c1N1CC[C@]2(C1)CCC[C@@H](CN1CCN(C)CC1)O2 ZINC001164892238 721429122 /nfs/dbraw/zinc/42/91/22/721429122.db2.gz HUDWMBZRMNMKFN-JXFKEZNVSA-N 0 1 413.393 3.462 20 0 HGADMN Cc1cc(N2CCn3cc(CN4CCN(C)CC4)nc3C2)nc2cc(Cl)ccc12 ZINC001164797113 721516153 /nfs/dbraw/zinc/51/61/53/721516153.db2.gz GTPJJBRXOZYOBO-UHFFFAOYSA-N 0 1 410.953 3.161 20 0 HGADMN Nc1cc(Cl)ncc1C(F)(F)N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164907715 721536339 /nfs/dbraw/zinc/53/63/39/721536339.db2.gz OCKVSSSIUJDIAW-HIFRSBDPSA-N 0 1 412.843 3.343 20 0 HGADMN Nc1cc(Cl)ncc1C(F)(F)N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164907713 721536709 /nfs/dbraw/zinc/53/67/09/721536709.db2.gz OCKVSSSIUJDIAW-DZGCQCFKSA-N 0 1 412.843 3.343 20 0 HGADMN CCOc1cc(Cl)nc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC001164799057 721550591 /nfs/dbraw/zinc/55/05/91/721550591.db2.gz ALIUVTURERXYMV-LQWHRVPQSA-N 0 1 402.926 3.397 20 0 HGADMN CCOC(=O)c1c(C)cc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1C ZINC001164805407 721562771 /nfs/dbraw/zinc/56/27/71/721562771.db2.gz NRVPBORBNQNGEZ-SXWKCWPCSA-N 0 1 424.545 3.138 20 0 HGADMN Cc1cc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(-c2ccccn2)n1 ZINC001164809839 721576074 /nfs/dbraw/zinc/57/60/74/721576074.db2.gz XMGDGDJFAFACQW-GIWBLDEGSA-N 0 1 416.529 3.110 20 0 HGADMN Cc1cc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(-c2ccco2)n1 ZINC001164810807 721583042 /nfs/dbraw/zinc/58/30/42/721583042.db2.gz WFPJQSUCLXTHOI-IPJJNNNSSA-N 0 1 405.502 3.308 20 0 HGADMN CN(Cc1cccnc1)[C@@H]1CN(c2nc(C3CC3)nc3[nH]ccc32)[C@H]2CCCO[C@H]12 ZINC001164805663 721588743 /nfs/dbraw/zinc/58/87/43/721588743.db2.gz LKDPEGSNEXMNGU-ZCNNSNEGSA-N 0 1 404.518 3.099 20 0 HGADMN COc1cc(C)c2ncnc(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2c1 ZINC001164804099 721592152 /nfs/dbraw/zinc/59/21/52/721592152.db2.gz INMVVMJMZHGDBI-FUPPJEDESA-N 0 1 419.529 3.210 20 0 HGADMN COC(=O)c1ccnc(N(C)C2CCN(Cc3c(OC)cccc3OC)CC2)c1C ZINC001165023491 721839545 /nfs/dbraw/zinc/83/95/45/721839545.db2.gz ZRBRRPGGTKVQEB-UHFFFAOYSA-N 0 1 413.518 3.295 20 0 HGADMN COC(=O)c1cnc(N(C)C2CCN(Cc3c(OC)cccc3OC)CC2)c(C)c1 ZINC001165021338 721839899 /nfs/dbraw/zinc/83/98/99/721839899.db2.gz 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HGADMN Clc1nc2c(nc1N1CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C1)CCCC2 ZINC001164975279 722157123 /nfs/dbraw/zinc/15/71/23/722157123.db2.gz QUKISTNIOSXOIB-XLIONFOSSA-N 0 1 413.953 3.131 20 0 HGADMN Fc1cccc(CN2CC[C@]23CCCN(c2cc(N4CCSCC4)ncn2)C3)c1 ZINC001164997848 722210565 /nfs/dbraw/zinc/21/05/65/722210565.db2.gz SLCSSIDFCUSMER-QFIPXVFZSA-N 0 1 413.566 3.414 20 0 HGADMN COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001123268595 939818011 /nfs/dbraw/zinc/81/80/11/939818011.db2.gz SSMROTZMJDVGSA-ROKPMTFOSA-N 0 1 408.498 3.034 20 0 HGADMN O=C([O-])[C@@]1(NC(=O)CCCOc2cccc(F)c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001123372778 939822288 /nfs/dbraw/zinc/82/22/88/939822288.db2.gz USBWYFNLNARHTN-HSZRJFAPSA-N 0 1 414.477 3.220 20 0 HGADMN Cc1cc(Cl)ccc1OCC(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001263627741 939827944 /nfs/dbraw/zinc/82/79/44/939827944.db2.gz VGXQSAYVAPYUAW-QFIPXVFZSA-N 0 1 416.905 3.263 20 0 HGADMN CCCc1nc(C)c(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC001263627941 939828030 /nfs/dbraw/zinc/82/80/30/939828030.db2.gz CCCPFKQHHLTKGK-NRFANRHFSA-N 0 1 401.532 3.253 20 0 HGADMN Cc1cccc(C[C@@H](CO)NCc2cn(-c3ccccc3Br)nn2)c1 ZINC000567798270 1126097966 /nfs/dbraw/zinc/09/79/66/1126097966.db2.gz GEGBZNQELYLCRS-INIZCTEOSA-N 0 1 401.308 3.031 20 0 HGADMN Cc1ccccc1-n1cc(CN[C@](C)(CO)Cc2ccc(Br)cc2)nn1 ZINC001179277263 1126151663 /nfs/dbraw/zinc/15/16/63/1126151663.db2.gz CRYYUPNDQULFSI-FQEVSTJZSA-N 0 1 415.335 3.422 20 0 HGADMN CC(C)(C)OC(=O)N1CC(c2cc(CN[C@](C)(CO)Cc3ccc(F)cc3)on2)C1 ZINC001183144956 1126153020 /nfs/dbraw/zinc/15/30/20/1126153020.db2.gz DMMGCMKAFPZQHW-QFIPXVFZSA-N 0 1 419.497 3.231 20 0 HGADMN CC(C)(C)OC(=O)NC(C)(C)c1cc(CN[C@@H](CO)Cc2ccc(F)cc2)on1 ZINC001181361112 1126153101 /nfs/dbraw/zinc/15/31/01/1126153101.db2.gz LRJAHCRFKNWJLV-MRXNPFEDSA-N 0 1 407.486 3.267 20 0 HGADMN Cc1c(O)ccc2c(CN[C@H](Cc3ccccc3)[C@H](O)C(F)(F)F)cc(=O)oc12 ZINC001460697537 1126191995 /nfs/dbraw/zinc/19/19/95/1126191995.db2.gz RXKGCRAYSLBRMQ-UZLBHIALSA-N 0 1 407.388 3.431 20 0 HGADMN C[C@@](CO)(Cc1ccc(Br)cc1)NCc1nc(N)c2ccccc2n1 ZINC001460868572 1126193091 /nfs/dbraw/zinc/19/30/91/1126193091.db2.gz LUMHXHUYIYMVAC-IBGZPJMESA-N 0 1 401.308 3.058 20 0 HGADMN COC(=O)c1ccc(CN[C@@](C)(CO)Cc2ccc(OC)cc2)c(Br)c1 ZINC001462567458 1126198068 /nfs/dbraw/zinc/19/80/68/1126198068.db2.gz SYUWTGLZHKNLPZ-HXUWFJFHSA-N 0 1 422.319 3.328 20 0 HGADMN CN1CCN(c2cccc(N3C[C@@H]4O[C@H](c5nc(C6CC6)cs5)C[C@H]4C3)n2)CC1 ZINC001164645563 719289601 /nfs/dbraw/zinc/28/96/01/719289601.db2.gz KMJKKDFAPAVUGT-WDSOQIARSA-N 0 1 411.575 3.134 20 0 HGADMN CN1CCO[C@H]2CN(c3cc(-c4ccc(Cl)nc4)ccc3C3OCCCO3)C[C@@H]21 ZINC001164666472 719421253 /nfs/dbraw/zinc/42/12/53/719421253.db2.gz CVTLCPRRTIXQSD-PMACEKPBSA-N 0 1 415.921 3.357 20 0 HGADMN CNC(=O)CN1CCCC12CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)CC2 ZINC001164681772 719716052 /nfs/dbraw/zinc/71/60/52/719716052.db2.gz AHOIKWVKMQXTEP-UHFFFAOYSA-N 0 1 423.895 3.009 20 0 HGADMN CCOC(=O)c1nccnc1N1CCC2(CCCN2Cc2csc(C)n2)CC1 ZINC001164694470 719808599 /nfs/dbraw/zinc/80/85/99/719808599.db2.gz YNWPEOSAKYSYGG-UHFFFAOYSA-N 0 1 401.536 3.053 20 0 HGADMN COC(=O)c1nc(Cl)cnc1N1CCC2(CCCN2Cc2csc(C)n2)CC1 ZINC001164692552 719808970 /nfs/dbraw/zinc/80/89/70/719808970.db2.gz IZZUQUIAOISSTO-UHFFFAOYSA-N 0 1 421.954 3.317 20 0 HGADMN c1csc(CN2CCOC3(CCN(c4cc(N5CCCCC5)ncn4)CC3)C2)c1 ZINC001164697710 719897703 /nfs/dbraw/zinc/89/77/03/719897703.db2.gz NXFRHPQHXUWXBT-UHFFFAOYSA-N 0 1 413.591 3.400 20 0 HGADMN c1csc(CN2CCOC3(CCN(c4cc(-c5ccncc5)ncn4)CC3)C2)c1 ZINC001164705882 719899667 /nfs/dbraw/zinc/89/96/67/719899667.db2.gz FCZOERYCDYYMMZ-UHFFFAOYSA-N 0 1 407.543 3.472 20 0 HGADMN COc1cc2c(cc1Cl)ncnc2N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164728021 720565658 /nfs/dbraw/zinc/56/56/58/720565658.db2.gz HJVREMDFYJYXJY-UHFFFAOYSA-N 0 1 412.925 3.147 20 0 HGADMN CCCCOc1cnc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c(Cl)c1 ZINC001164739010 720745289 /nfs/dbraw/zinc/74/52/89/720745289.db2.gz HMFLRRJXFFTFGV-DOTOQJQBSA-N 0 1 403.914 3.046 20 0 HGADMN CCCCOc1cnc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(Cl)c1 ZINC001164739011 720746118 /nfs/dbraw/zinc/74/61/18/720746118.db2.gz HMFLRRJXFFTFGV-NVXWUHKLSA-N 0 1 403.914 3.046 20 0 HGADMN CCOC(=O)c1cnc(C2CC2)nc1N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164863438 720961231 /nfs/dbraw/zinc/96/12/31/720961231.db2.gz ZYOVWPNXRPSIQD-OAHLLOKOSA-N 0 1 412.538 3.149 20 0 HGADMN CCOC(=O)c1ccc2ncnc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)c2c1 ZINC001164861473 720962388 /nfs/dbraw/zinc/96/23/88/720962388.db2.gz SQPRTTOGVGVHFW-MRXNPFEDSA-N 0 1 422.533 3.424 20 0 HGADMN CC(C)N(C)Cc1cnc2n1CCN(c1nccc(C(=O)OC(C)(C)C)n1)[C@H]2C ZINC001164861737 720972910 /nfs/dbraw/zinc/97/29/10/720972910.db2.gz QOGQUOCUIAHRAH-HNNXBMFYSA-N 0 1 400.527 3.050 20 0 HGADMN Cn1cc(CN2CC[C@@H]3CN(c4nccnc4C4SCCCS4)C[C@H]3C2)cn1 ZINC001164770581 721104480 /nfs/dbraw/zinc/10/44/80/721104480.db2.gz RAJIKPMEZLJXLP-IAGOWNOFSA-N 0 1 416.620 3.037 20 0 HGADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4cc5cc[nH]c5c(Cl)n4)C[C@@H]3C2)cn1 ZINC001164762667 721180593 /nfs/dbraw/zinc/18/05/93/721180593.db2.gz DDCWLNDHBACGHT-HOTGVXAUSA-N 0 1 420.895 3.453 20 0 HGADMN CCc1nc(Cl)nc(Cl)c1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866460 721184045 /nfs/dbraw/zinc/18/40/45/721184045.db2.gz AXJJTHLDXBMCGQ-HUUCEWRRSA-N 0 1 408.333 3.221 20 0 HGADMN Cn1cc(CN2CC[C@@H]3CN(c4cc(SCc5ccccc5)ncn4)C[C@H]3C2)cn1 ZINC001164769134 721223745 /nfs/dbraw/zinc/22/37/45/721223745.db2.gz LTHOJZYGUHIPQB-NHCUHLMSSA-N 0 1 420.586 3.461 20 0 HGADMN COc1ccc2nc(N3CC[C@@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)ccc2c1 ZINC001164890968 721401442 /nfs/dbraw/zinc/40/14/42/721401442.db2.gz UUGYKAGAZRSWAH-ZJSXRUAMSA-N 0 1 410.562 3.009 20 0 HGADMN Cc1nc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)c(Cl)cc1Cl ZINC001164893126 721428337 /nfs/dbraw/zinc/42/83/37/721428337.db2.gz JBWMCRYMTYXGMG-UZLBHIALSA-N 0 1 413.393 3.462 20 0 HGADMN Cc1c[nH]c2nc(Cl)cc(N3CC[C@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)c12 ZINC001164896758 721431382 /nfs/dbraw/zinc/43/13/82/721431382.db2.gz RXABZOJGSYYLLE-VGSWGCGISA-N 0 1 417.985 3.290 20 0 HGADMN Cc1cccc(-c2ccc(N3CC[C@@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)nn2)c1 ZINC001164898780 721435002 /nfs/dbraw/zinc/43/50/02/721435002.db2.gz WZIZBDBIDAOJSB-RCZVLFRGSA-N 0 1 421.589 3.217 20 0 HGADMN Cc1nc2ccc(F)cc2c(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164806590 721541332 /nfs/dbraw/zinc/54/13/32/721541332.db2.gz OWHZGGUAIQPLPJ-FDFHNCONSA-N 0 1 407.493 3.341 20 0 HGADMN Cc1nc2cc(F)ccc2c(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164805597 721541399 /nfs/dbraw/zinc/54/13/99/721541399.db2.gz MKVLHEXOWJHGKI-FSSWDIPSSA-N 0 1 407.493 3.341 20 0 HGADMN C=Cc1nc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1OC ZINC001164907200 721550808 /nfs/dbraw/zinc/55/08/08/721550808.db2.gz MQSSCENYHDSCIY-GDBMZVCRSA-N 0 1 404.873 3.263 20 0 HGADMN Nc1cc(C(F)(F)N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cnc1Cl ZINC001164911400 721551206 /nfs/dbraw/zinc/55/12/06/721551206.db2.gz WQVJDNVXPDLMSF-GOEBONIOSA-N 0 1 412.843 3.343 20 0 HGADMN Cc1cc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(-c2ccccn2)n1 ZINC001164809837 721575838 /nfs/dbraw/zinc/57/58/38/721575838.db2.gz XMGDGDJFAFACQW-FUDKSRODSA-N 0 1 416.529 3.110 20 0 HGADMN Cc1cc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc(-c2ccccn2)n1 ZINC001164809840 721575843 /nfs/dbraw/zinc/57/58/43/721575843.db2.gz XMGDGDJFAFACQW-QNWVGRARSA-N 0 1 416.529 3.110 20 0 HGADMN FC1(F)CCN(c2cc(-c3nnco3)ccn2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164913437 721728603 /nfs/dbraw/zinc/72/86/03/721728603.db2.gz VUFQAXWDDVRTDX-HXUWFJFHSA-N 0 1 412.444 3.264 20 0 HGADMN Cc1cccc2c(Cl)nnc(N3CCCC34CCN(CC(=O)N(C)C)CC4)c12 ZINC001165010645 721736774 /nfs/dbraw/zinc/73/67/74/721736774.db2.gz IKBWZPXMPJXWCT-UHFFFAOYSA-N 0 1 401.942 3.115 20 0 HGADMN CN(C)C(=O)CN1CCC2(CCCN2c2nc(Cl)cc3c(Cl)ccnc32)CC1 ZINC001165011912 721736969 /nfs/dbraw/zinc/73/69/69/721736969.db2.gz XDONKZSQDJLPGR-UHFFFAOYSA-N 0 1 422.360 3.460 20 0 HGADMN CCCCOc1cnc(N2CCCC23CCN(CC(=O)N(C)C)CC3)c(Cl)c1 ZINC001165010269 721743717 /nfs/dbraw/zinc/74/37/17/721743717.db2.gz LCCVRJIFKQELKF-UHFFFAOYSA-N 0 1 408.974 3.437 20 0 HGADMN CCS(=O)(=O)c1ccnc(N2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165026107 721832193 /nfs/dbraw/zinc/83/21/93/721832193.db2.gz OEQHBUSWZLXTJG-YYWHXJBOSA-N 0 1 414.575 3.007 20 0 HGADMN CCS(=O)(=O)c1ccnc(N2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165026096 721832280 /nfs/dbraw/zinc/83/22/80/721832280.db2.gz OEQHBUSWZLXTJG-DZFGPLHGSA-N 0 1 414.575 3.007 20 0 HGADMN c1cc(C2OCCCO2)ccc1-c1ccc(N2CCN(C[C@H]3CCCO3)CC2)nc1 ZINC001165038755 721915244 /nfs/dbraw/zinc/91/52/44/721915244.db2.gz PVEKNZHOHVNTJI-JOCHJYFZSA-N 0 1 409.530 3.485 20 0 HGADMN Cc1nc(Cl)nc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1C ZINC001164958800 722051509 /nfs/dbraw/zinc/05/15/09/722051509.db2.gz GLJOGFOBBMEJJZ-UHFFFAOYSA-N 0 1 401.942 3.261 20 0 HGADMN COc1ccc2cnc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)nc2c1 ZINC001164964211 722054277 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