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](c1ccccc1)N(Cc1cc(=O)n2ccsc2n1)Cc1ccccc1O ZINC000176679290 823265748 /nfs/dbraw/zinc/26/57/48/823265748.db2.gz NOPHOWYXGOUCEB-MRXNPFEDSA-N 0 1 391.496 4.225 20 10 GICDMN Cc1nn(-c2ccc(F)cc2F)c(C)c1CNCc1ccc(N(C)C)c(F)c1 ZINC000058474573 823397168 /nfs/dbraw/zinc/39/71/68/823397168.db2.gz IIYAVTJCFNWGPW-UHFFFAOYSA-N 0 1 388.437 4.262 20 10 GICDMN Cn1cc([C@@H]2CSCCN2Cc2c3c(ccc2O)oc2c3CCCC2)cn1 ZINC000189873831 823508683 /nfs/dbraw/zinc/50/86/83/823508683.db2.gz VACFMWYYSAKZHJ-KRWDZBQOSA-N 0 1 383.517 4.041 20 10 GICDMN COC(=O)c1cccc(-c2nc(CN[C@H](C)c3cc(OC)ccc3O)cs2)c1 ZINC000182435155 822241685 /nfs/dbraw/zinc/24/16/85/822241685.db2.gz KWMGVOHOGVWYAB-CYBMUJFWSA-N 0 1 398.484 4.162 20 10 GICDMN C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2ccccc2n1 ZINC000178536434 822389279 /nfs/dbraw/zinc/38/92/79/822389279.db2.gz NOMFNYBHJVJOHF-MRXNPFEDSA-N 0 1 379.479 4.186 20 10 GICDMN CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000178857318 822416916 /nfs/dbraw/zinc/41/69/16/822416916.db2.gz LCQNCILYNYHJAK-UHFFFAOYSA-N 0 1 383.275 4.168 20 10 GICDMN CN(Cc1ccc([S@@](C)=O)cc1)Cc1ccc(OCc2ccccc2)cc1O ZINC000183103328 822424805 /nfs/dbraw/zinc/42/48/05/822424805.db2.gz FLAHIQWESOPJJO-MUUNZHRXSA-N 0 1 395.524 4.341 20 10 GICDMN Cc1nc(C(F)(F)F)c(CN(Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000183611627 822501275 /nfs/dbraw/zinc/50/12/75/822501275.db2.gz BISNNMQDNZNDQA-CQSZACIVSA-N 0 1 386.439 4.357 20 10 GICDMN CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])c2ccc(F)cc2C1 ZINC000184515270 822648822 /nfs/dbraw/zinc/64/88/22/822648822.db2.gz KMLQHURVYQXKRQ-BUXKBTBVSA-N 0 1 376.859 4.329 20 10 GICDMN CSCC[C@H](N[C@H](C)c1cc2c(cc1O)CCCC2)c1nnc2ccccn21 ZINC000184908203 822711374 /nfs/dbraw/zinc/71/13/74/822711374.db2.gz RPBOPCBIXZFZBK-BEFAXECRSA-N 0 1 396.560 4.459 20 10 GICDMN C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1ccc2ccccc2c1[O-] ZINC000185031314 822727288 /nfs/dbraw/zinc/72/72/88/822727288.db2.gz RFFOSRNCQANHTR-KURKYZTESA-N 0 1 391.515 4.405 20 10 GICDMN CC[C@H]([NH2+]Cc1ccc(NC(C)=O)cc1)c1cc(Br)ccc1[O-] ZINC000186092840 822850836 /nfs/dbraw/zinc/85/08/36/822850836.db2.gz NHLLBWAJJAYZBN-KRWDZBQOSA-N 0 1 377.282 4.354 20 10 GICDMN CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000186164446 822857321 /nfs/dbraw/zinc/85/73/21/822857321.db2.gz SINFYLLDBRUGJS-FUHWJXTLSA-N 0 1 383.513 4.449 20 10 GICDMN Cc1csc(-c2noc(Cn3c4ccccc4c4c3CCN(C(C)C)C4)n2)n1 ZINC000569389451 822915043 /nfs/dbraw/zinc/91/50/43/822915043.db2.gz TZKFSNLAOFRHPI-UHFFFAOYSA-N 0 1 393.516 4.271 20 10 GICDMN CN1C(=O)CCc2cc(CN(Cc3ccco3)Cc3ccccc3O)ccc21 ZINC000186746611 822949069 /nfs/dbraw/zinc/94/90/69/822949069.db2.gz JMTFGZCOIAVFNG-UHFFFAOYSA-N 0 1 376.456 4.097 20 10 GICDMN CC(=O)c1cc(F)cc(C[NH2+]C2(c3ccc(Br)cc3)CC2)c1[O-] ZINC000175614437 823006865 /nfs/dbraw/zinc/00/68/65/823006865.db2.gz AEFLSRIMJIENEI-UHFFFAOYSA-N 0 1 378.241 4.275 20 10 GICDMN CC(C)[C@H](NCc1c(O)ccc(Cl)c1F)c1nc(-c2cccnc2)no1 ZINC000190942476 823627976 /nfs/dbraw/zinc/62/79/76/823627976.db2.gz SSWBMNUJMCRBRD-INIZCTEOSA-N 0 1 376.819 4.117 20 10 GICDMN COc1ccc2cc(/C=C3\SC(=S)N(C4CCN(C)CC4)C3=O)ccc2c1 ZINC000063824103 823699740 /nfs/dbraw/zinc/69/97/40/823699740.db2.gz ZGGWFDAGFRNRHW-UNOMPAQXSA-N 0 1 398.553 4.144 20 10 GICDMN COc1ccccc1[C@H](C)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000163400042 823706440 /nfs/dbraw/zinc/70/64/40/823706440.db2.gz JVGCTHXZJLSQEH-HNNXBMFYSA-N 0 1 394.437 4.401 20 10 GICDMN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC000181121004 821646247 /nfs/dbraw/zinc/64/62/47/821646247.db2.gz WGHOYTQYFNZWOO-VIFPVBQESA-N 0 1 376.363 4.097 20 10 GICDMN C[C@H](NCc1cn(C)nc1C(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000181581857 821888276 /nfs/dbraw/zinc/88/82/76/821888276.db2.gz GWCWTGVNCAFBMG-ZDUSSCGKSA-N 0 1 384.421 4.419 20 10 GICDMN C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])c1ccc(OCC(=O)NC2CC2)cc1 ZINC000185058305 822730510 /nfs/dbraw/zinc/73/05/10/822730510.db2.gz OPMBDDRGOJSKIJ-ZIAGYGMSSA-N 0 1 388.895 4.115 20 10 GICDMN Cc1nc([C@@H](N[C@@H](C)c2cc(Br)ccc2O)c2ccccc2)n[nH]1 ZINC000185324151 822766093 /nfs/dbraw/zinc/76/60/93/822766093.db2.gz YFMPGNXYXRBNPD-GTNSWQLSSA-N 0 1 387.281 4.021 20 10 GICDMN C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000125914196 823742495 /nfs/dbraw/zinc/74/24/95/823742495.db2.gz DBMIZZPCJVPBES-LLVKDONJSA-N 0 1 388.316 4.296 20 10 GICDMN C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000125914196 823742502 /nfs/dbraw/zinc/74/25/02/823742502.db2.gz DBMIZZPCJVPBES-LLVKDONJSA-N 0 1 388.316 4.296 20 10 GICDMN FC(F)(F)CCN(Cc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000191781961 823766863 /nfs/dbraw/zinc/76/68/63/823766863.db2.gz CCWQJQIVEXQFRS-UHFFFAOYSA-N 0 1 378.438 4.478 20 10 GICDMN COc1cc(CN(C)Cc2cn(C)nc2C(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000164541751 823807864 /nfs/dbraw/zinc/80/78/64/823807864.db2.gz NMURWCRSSVBWRS-UHFFFAOYSA-N 0 1 385.430 4.083 20 10 GICDMN COc1ccc(C(=O)N2CCCC2)cc1N[C@H](C)c1ccc(F)c(F)c1O ZINC000187894208 823153893 /nfs/dbraw/zinc/15/38/93/823153893.db2.gz LELWHANQUGKFJC-GFCCVEGCSA-N 0 1 376.403 4.088 20 10 GICDMN COc1cc(OC)c(OC)cc1CNCc1cc(C)n(-c2ccccc2)c1C ZINC000017319296 818509435 /nfs/dbraw/zinc/50/94/35/818509435.db2.gz POZNRNDFMVTAFC-UHFFFAOYSA-N 0 1 380.488 4.410 20 10 GICDMN CCCN(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000022015293 818763559 /nfs/dbraw/zinc/76/35/59/818763559.db2.gz HLEFKCSDEOMQEV-SFHVURJKSA-N 0 1 395.609 4.386 20 10 GICDMN Cc1cc(O)c(CN2CCN([C@H](C)c3nc4ccccc4s3)CC2)cc1C ZINC000023849102 818986075 /nfs/dbraw/zinc/98/60/75/818986075.db2.gz WYOZNDUJXOBWTQ-QGZVFWFLSA-N 0 1 381.545 4.498 20 10 GICDMN Cc1ccc([C@@H](NCc2cc(F)ccc2O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000180925392 821541800 /nfs/dbraw/zinc/54/18/00/821541800.db2.gz QGIPIMFKGOWAOA-JOCHJYFZSA-N 0 1 399.487 4.122 20 10 GICDMN C[C@@H](N[C@H]1CCCOc2c(F)cccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000181331203 821763926 /nfs/dbraw/zinc/76/39/26/821763926.db2.gz XFPSYHZGHHCHGE-QRWLVFNGSA-N 0 1 388.458 4.366 20 10 GICDMN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179362280 822471600 /nfs/dbraw/zinc/47/16/00/822471600.db2.gz LXUYWUGEADRHLO-INIZCTEOSA-N 0 1 395.532 4.171 20 10 GICDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000180504220 822692396 /nfs/dbraw/zinc/69/23/96/822692396.db2.gz TWQBBGOUYRJJMQ-GDBMZVCRSA-N 0 1 382.323 4.304 20 10 GICDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000180504220 822692399 /nfs/dbraw/zinc/69/23/99/822692399.db2.gz TWQBBGOUYRJJMQ-GDBMZVCRSA-N 0 1 382.323 4.304 20 10 GICDMN [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000180506421 822693032 /nfs/dbraw/zinc/69/30/32/822693032.db2.gz LPAXBLHHNIHZAS-HIFRSBDPSA-N 0 1 382.323 4.304 20 10 GICDMN CC[N@H+](Cc1cccc(NC(C)=O)c1)Cc1cc(Br)ccc1[O-] ZINC000174424401 822788209 /nfs/dbraw/zinc/78/82/09/822788209.db2.gz YXHQKUQAXIWLHY-UHFFFAOYSA-N 0 1 377.282 4.135 20 10 GICDMN CC[N@@H+](Cc1cccc(NC(C)=O)c1)Cc1cc(Br)ccc1[O-] ZINC000174424401 822788211 /nfs/dbraw/zinc/78/82/11/822788211.db2.gz YXHQKUQAXIWLHY-UHFFFAOYSA-N 0 1 377.282 4.135 20 10 GICDMN C[C@H](N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1O ZINC000185593836 822800233 /nfs/dbraw/zinc/80/02/33/822800233.db2.gz IJFBJRCSDGHFPI-OYHNWAKOSA-N 0 1 399.487 4.375 20 10 GICDMN COc1ccc(N2CCCN(Cc3ncc(-c4ccc(F)cc4)o3)CC2)cc1 ZINC000052466553 822800742 /nfs/dbraw/zinc/80/07/42/822800742.db2.gz XKNXOQIPMQADIK-UHFFFAOYSA-N 0 1 381.451 4.202 20 10 GICDMN O=C(c1cc(-c2cccs2)[nH]n1)N(Cc1ccco1)Cc1ccccc1O ZINC000125294990 823665746 /nfs/dbraw/zinc/66/57/46/823665746.db2.gz DYTRKNKWXSXPAM-UHFFFAOYSA-N 0 1 379.441 4.279 20 10 GICDMN CC[C@H](N[C@@H](CCSC)c1nnc2ccccn21)c1ccc(N(C)C)cc1 ZINC000164261579 823791142 /nfs/dbraw/zinc/79/11/42/823791142.db2.gz PFNQFPOFSBHFAX-OALUTQOASA-N 0 1 383.565 4.330 20 10 GICDMN Cc1cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)c2cc(F)ccc2n1 ZINC000121656002 823223700 /nfs/dbraw/zinc/22/37/00/823223700.db2.gz TVFFBBSWSOPEHY-UHFFFAOYSA-N 0 1 383.442 4.395 20 10 GICDMN C[C@H](N[C@@H](c1ccccc1)c1cccnc1)c1ccc(N2CCC(O)CC2)cc1 ZINC000178606904 822395885 /nfs/dbraw/zinc/39/58/85/822395885.db2.gz OOWHMJGJLKYRJQ-DFBJGRDBSA-N 0 1 387.527 4.483 20 10 GICDMN Cc1nc([C@@H](N[C@H](C)c2cc(Br)ccc2O)c2ccccc2)n[nH]1 ZINC000185324180 822765943 /nfs/dbraw/zinc/76/59/43/822765943.db2.gz YFMPGNXYXRBNPD-DIFFPNOSSA-N 0 1 387.281 4.021 20 10 GICDMN C[C@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1ccc2ccccc2c1[O-] ZINC000185498686 822791063 /nfs/dbraw/zinc/79/10/63/822791063.db2.gz ZTAMBDDGEHGALX-LBPRGKRZSA-N 0 1 376.382 4.117 20 10 GICDMN CCc1cc(N2CCC([NH2+][C@@H](C)c3ccc4ccccc4c3[O-])CC2)ncn1 ZINC000185642877 822806065 /nfs/dbraw/zinc/80/60/65/822806065.db2.gz OKOVQFRUYDGVPO-INIZCTEOSA-N 0 1 376.504 4.217 20 10 GICDMN CC(C)c1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(Br)cc1O ZINC000185684873 822809920 /nfs/dbraw/zinc/80/99/20/822809920.db2.gz PBTHHOLNUFYLIU-FZMZJTMJSA-N 0 1 379.302 4.055 20 10 GICDMN COc1ccc2nc(CN(Cc3ccccc3O)C[C@H]3CCCO3)sc2c1 ZINC000187243905 823029701 /nfs/dbraw/zinc/02/97/01/823029701.db2.gz BYOORCSEASOGQY-QGZVFWFLSA-N 0 1 384.501 4.192 20 10 GICDMN [O-]c1ccc(Br)cc1C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000124555555 823606095 /nfs/dbraw/zinc/60/60/95/823606095.db2.gz BKHPSIHTIDWPET-IBGZPJMESA-N 0 1 376.294 4.100 20 10 GICDMN CCOc1ccc(O)c(CNc2cccc(NC(=O)CN3CCCCCC3)c2)c1 ZINC000126140568 823797787 /nfs/dbraw/zinc/79/77/87/823797787.db2.gz BJCUFSHETLHMRD-UHFFFAOYSA-N 0 1 397.519 4.218 20 10 GICDMN C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1OC(F)(F)F ZINC000165172033 823838162 /nfs/dbraw/zinc/83/81/62/823838162.db2.gz RBGGPCSLWJPEGJ-AWEZNQCLSA-N 0 1 398.400 4.412 20 10 GICDMN C[C@@H](c1ccccc1)N(CC(=O)NCc1cccs1)Cc1ccccc1O ZINC000176678499 823265786 /nfs/dbraw/zinc/26/57/86/823265786.db2.gz YHVQOANVNPNQJL-KRWDZBQOSA-N 0 1 380.513 4.333 20 10 GICDMN CCNC(=O)c1cccc(CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)c1 ZINC000177880829 823540441 /nfs/dbraw/zinc/54/04/41/823540441.db2.gz HWIZFLHDEQVPCK-KRWDZBQOSA-N 0 1 383.511 4.417 20 10 GICDMN COc1ccc([C@H](NCc2cc(OC)c(OC)cc2O)c2ccc(F)cc2)cc1 ZINC000180886426 821513866 /nfs/dbraw/zinc/51/38/66/821513866.db2.gz XDOUGXAZEQCOQF-HSZRJFAPSA-N 0 1 397.446 4.436 20 10 GICDMN COc1ccc([C@@H](NCc2cc(OC)c(OC)cc2O)c2ccc(F)cc2)cc1 ZINC000180886441 821514445 /nfs/dbraw/zinc/51/44/45/821514445.db2.gz XDOUGXAZEQCOQF-QHCPKHFHSA-N 0 1 397.446 4.436 20 10 GICDMN C[C@@H](NCc1ccccc1OC1CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000180974112 821566620 /nfs/dbraw/zinc/56/66/20/821566620.db2.gz YVZQIQAXZLZCGC-QGZVFWFLSA-N 0 1 384.495 4.444 20 10 GICDMN C[C@H](NCc1ccccc1OC1CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000180974090 821566793 /nfs/dbraw/zinc/56/67/93/821566793.db2.gz YVZQIQAXZLZCGC-KRWDZBQOSA-N 0 1 384.495 4.444 20 10 GICDMN C[C@@H](N[C@@H]1CCCOc2c(F)cccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000181331161 821763903 /nfs/dbraw/zinc/76/39/03/821763903.db2.gz XFPSYHZGHHCHGE-FOIQADDNSA-N 0 1 388.458 4.366 20 10 GICDMN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179362289 822471605 /nfs/dbraw/zinc/47/16/05/822471605.db2.gz LXUYWUGEADRHLO-MRXNPFEDSA-N 0 1 395.532 4.171 20 10 GICDMN COc1cc(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])cc(OC)c1OC ZINC000184895147 822709133 /nfs/dbraw/zinc/70/91/33/822709133.db2.gz VWPYDLZCSPFVFG-LLVKDONJSA-N 0 1 396.281 4.031 20 10 GICDMN C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1cc(Cl)ccc1[O-] ZINC000185018367 822725887 /nfs/dbraw/zinc/72/58/87/822725887.db2.gz FKTMUJDQNUIGNC-ZDUSSCGKSA-N 0 1 376.859 4.140 20 10 GICDMN CN1CCC(N2C(=O)/C(=C/c3ccccc3C(F)(F)F)SC2=S)CC1 ZINC000063824198 823699659 /nfs/dbraw/zinc/69/96/59/823699659.db2.gz PCLWVKLKJVVYLY-UVTDQMKNSA-N 0 1 386.464 4.001 20 10 GICDMN CCCCOc1ccc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)cc1 ZINC000063824433 823699774 /nfs/dbraw/zinc/69/97/74/823699774.db2.gz IWQSRWRJNHMQNY-JXAWBTAJSA-N 0 1 390.574 4.161 20 10 GICDMN CC(C)n1cc([C@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cn1 ZINC000163413535 823707486 /nfs/dbraw/zinc/70/74/86/823707486.db2.gz WZNWDUABQJIZIH-HNNXBMFYSA-N 0 1 396.457 4.170 20 10 GICDMN CCOc1cccc(CNc2cccc(NC(=O)CN3CCCCCC3)c2)c1O ZINC000126134184 823796150 /nfs/dbraw/zinc/79/61/50/823796150.db2.gz SBWISADQTGKGIG-UHFFFAOYSA-N 0 1 397.519 4.218 20 10 GICDMN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000121310524 823160702 /nfs/dbraw/zinc/16/07/02/823160702.db2.gz BGZDHMPLDJKWDB-UHFFFAOYSA-N 0 1 381.303 4.168 20 10 GICDMN Fc1cc(CN[C@H]2CC3(CCC3)Oc3ccccc32)ccc1N1CCOCC1 ZINC000176636360 823254451 /nfs/dbraw/zinc/25/44/51/823254451.db2.gz MDEBFHFMAGOVPO-FQEVSTJZSA-N 0 1 382.479 4.198 20 10 GICDMN Cc1cc(O)c(CN2CCN([C@@H](C)c3nc4ccccc4s3)CC2)cc1C ZINC000023849105 818985929 /nfs/dbraw/zinc/98/59/29/818985929.db2.gz WYOZNDUJXOBWTQ-KRWDZBQOSA-N 0 1 381.545 4.498 20 10 GICDMN CN1CCO[C@@H]([C@H](NCc2ccc(N3CCCC3)cc2)c2ccc(Cl)cc2)C1 ZINC000179765344 822547173 /nfs/dbraw/zinc/54/71/73/822547173.db2.gz DBYANIFFTYSCPL-DHIUTWEWSA-N 0 1 399.966 4.102 20 10 GICDMN C[C@H](N[C@H]1CCCOc2cc(F)ccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000179968189 822587397 /nfs/dbraw/zinc/58/73/97/822587397.db2.gz ZWUYQIRROFDYMX-YWZLYKJASA-N 0 1 388.458 4.366 20 10 GICDMN C[C@H](NCc1sccc1Br)c1ccc(N2CCOCC2)c(F)c1 ZINC000180480879 822689010 /nfs/dbraw/zinc/68/90/10/822689010.db2.gz IECHCIAXZNNMDI-LBPRGKRZSA-N 0 1 399.329 4.337 20 10 GICDMN C[C@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccc2ccccc2c1[O-] ZINC000185033390 822727443 /nfs/dbraw/zinc/72/74/43/822727443.db2.gz GYJQBQXDHAGXDL-IRXDYDNUSA-N 0 1 377.488 4.016 20 10 GICDMN C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc2ccccc2c1[O-] ZINC000185072191 822732839 /nfs/dbraw/zinc/73/28/39/822732839.db2.gz TVVKTNCFRMHTCH-INIZCTEOSA-N 0 1 380.463 4.372 20 10 GICDMN Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc4ccccc4c3[O-])CC2)nc(C)n1 ZINC000185655032 822807325 /nfs/dbraw/zinc/80/73/25/822807325.db2.gz YFCAELQYUDFVBU-INIZCTEOSA-N 0 1 376.504 4.272 20 10 GICDMN CC(C)c1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1cc(Br)ccc1O ZINC000185683524 822809662 /nfs/dbraw/zinc/80/96/62/822809662.db2.gz QJGDCCHGZMOBDU-FZMZJTMJSA-N 0 1 379.302 4.055 20 10 GICDMN CC(C)c1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc(Br)cc1O ZINC000185684925 822809894 /nfs/dbraw/zinc/80/98/94/822809894.db2.gz PBTHHOLNUFYLIU-BXUZGUMPSA-N 0 1 379.302 4.055 20 10 GICDMN C[C@@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1ccc2ccccc2c1[O-] ZINC000186078766 822849858 /nfs/dbraw/zinc/84/98/58/822849858.db2.gz AKXSNAUAVAHRIV-MRXNPFEDSA-N 0 1 376.456 4.012 20 10 GICDMN Cc1cc(Br)cc([C@@H](C)N[C@H]2CCCn3nc(C(C)C)nc32)c1O ZINC000187294055 823038338 /nfs/dbraw/zinc/03/83/38/823038338.db2.gz LILDYBWMJZAWDR-DOMZBBRYSA-N 0 1 393.329 4.364 20 10 GICDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H](C)CC(F)(F)F)C1 ZINC000412676326 823673851 /nfs/dbraw/zinc/67/38/51/823673851.db2.gz MFPHGDMUOCKZCQ-OAHLLOKOSA-N 0 1 395.469 4.113 20 10 GICDMN CN1CCC(N2C(=O)/C(=C/c3ccc(Cl)c(Cl)c3)SC2=S)CC1 ZINC000063824427 823699705 /nfs/dbraw/zinc/69/97/05/823699705.db2.gz MAZXWNBEMIJOHD-ZROIWOOFSA-N 0 1 387.357 4.289 20 10 GICDMN COc1cc(C)cc(CN2CCO[C@H](c3ccc(Br)cc3)C2)c1O ZINC000164204362 823786128 /nfs/dbraw/zinc/78/61/28/823786128.db2.gz TYTLROMMHYRVHZ-SFHVURJKSA-N 0 1 392.293 4.045 20 10 GICDMN Cc1ccc(OC(F)F)c([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000165171648 823838199 /nfs/dbraw/zinc/83/81/99/823838199.db2.gz YCHUQLJDGZIRRJ-HNNXBMFYSA-N 0 1 394.437 4.423 20 10 GICDMN O=C(c1ccccc1)N1CCCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000121203804 823138325 /nfs/dbraw/zinc/13/83/25/823138325.db2.gz YZLAJCBBWOPXCL-UHFFFAOYSA-N 0 1 377.532 4.025 20 10 GICDMN CCN(Cc1ccccc1)c1ccc([C@H]2NC(=N)Nc3nc4ccccc4n32)cc1 ZINC000007125505 817767635 /nfs/dbraw/zinc/76/76/35/817767635.db2.gz LNGGKMUCTKNMPF-QFIPXVFZSA-N 0 1 396.498 4.159 20 10 GICDMN CN(C)c1ccc(CN(C)C(=O)CNC(c2ccccc2)c2ccccc2)cc1 ZINC000007352861 817822310 /nfs/dbraw/zinc/82/23/10/817822310.db2.gz LODULBKECAAPLN-UHFFFAOYSA-N 0 1 387.527 4.090 20 10 GICDMN Cc1cc(O)c(CN2CCN(Cc3ccc(Br)s3)CC2)cc1C ZINC000057522429 823306594 /nfs/dbraw/zinc/30/65/94/823306594.db2.gz YISONDUBMZYLHB-UHFFFAOYSA-N 0 1 395.366 4.151 20 10 GICDMN CCOc1ccc(-n2c(C)cc(C(=O)CSc3nc(C4CC4)n[nH]3)c2C)cc1 ZINC000011275511 818067952 /nfs/dbraw/zinc/06/79/52/818067952.db2.gz LZJCJESTJKIFDZ-UHFFFAOYSA-N 0 1 396.516 4.463 20 10 GICDMN CCOc1ccc(-n2c(C)cc(C(=O)CSc3n[nH]c(C4CC4)n3)c2C)cc1 ZINC000011275511 818067957 /nfs/dbraw/zinc/06/79/57/818067957.db2.gz LZJCJESTJKIFDZ-UHFFFAOYSA-N 0 1 396.516 4.463 20 10 GICDMN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000122427077 823352383 /nfs/dbraw/zinc/35/23/83/823352383.db2.gz NLLXQXFRMNSLBE-OAHLLOKOSA-N 0 1 391.918 4.233 20 10 GICDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H](OC1CCOCC1)c1ccccc1 ZINC000122700045 823396890 /nfs/dbraw/zinc/39/68/90/823396890.db2.gz GEFAUYRPAFLWRJ-QVKFZJNVSA-N 0 1 375.896 4.461 20 10 GICDMN [O-]c1ccc2ccncc2c1C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000028890957 820368087 /nfs/dbraw/zinc/36/80/87/820368087.db2.gz YUYPAHRRXKMCIZ-UHFFFAOYSA-N 0 1 387.405 4.281 20 10 GICDMN Cc1nn(-c2ccccc2)cc1CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000183203104 822440855 /nfs/dbraw/zinc/44/08/55/822440855.db2.gz JOPRYYNUCVXWCG-QGZVFWFLSA-N 0 1 394.494 4.007 20 10 GICDMN COc1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])cc(OC)c1OC ZINC000184895130 822709176 /nfs/dbraw/zinc/70/91/76/822709176.db2.gz VWPYDLZCSPFVFG-NSHDSACASA-N 0 1 396.281 4.031 20 10 GICDMN CSCC[C@@H](N[C@@H](C)c1cc(Cl)ccc1O)c1nnc2ccccn21 ZINC000184907625 822711344 /nfs/dbraw/zinc/71/13/44/822711344.db2.gz XHBPKFLUTZSJJA-SWLSCSKDSA-N 0 1 376.913 4.233 20 10 GICDMN CSCC[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1nnc2ccccn21 ZINC000184907625 822711348 /nfs/dbraw/zinc/71/13/48/822711348.db2.gz XHBPKFLUTZSJJA-SWLSCSKDSA-N 0 1 376.913 4.233 20 10 GICDMN C[C@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1ccc(Br)cc1[O-] ZINC000184973596 822720092 /nfs/dbraw/zinc/72/00/92/822720092.db2.gz BIUMKZITRLGGMS-ZDUSSCGKSA-N 0 1 376.298 4.001 20 10 GICDMN C[C@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000185086850 822734950 /nfs/dbraw/zinc/73/49/50/822734950.db2.gz QMWUYPFPRSBGIW-KRWDZBQOSA-N 0 1 383.513 4.201 20 10 GICDMN CCc1ccc([C@H](NCc2ccccc2O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174633728 822815216 /nfs/dbraw/zinc/81/52/16/822815216.db2.gz XAIIFJMQRAYUSP-QHCPKHFHSA-N 0 1 395.524 4.237 20 10 GICDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2Cc3cccc(F)c3C2)C1 ZINC000458134037 822961314 /nfs/dbraw/zinc/96/13/14/822961314.db2.gz RYCJWUUHGAMEIK-UHFFFAOYSA-N 0 1 391.490 4.089 20 10 GICDMN Cc1cccc(C(=O)N2CCCN(Cc3cc(C(C)(C)C)cc(O)c3O)CC2)c1 ZINC000124447769 823597712 /nfs/dbraw/zinc/59/77/12/823597712.db2.gz FFQSKXRYIHXOFJ-UHFFFAOYSA-N 0 1 396.531 4.052 20 10 GICDMN CN1CCC(N2C(=O)/C(=C/c3ccc(-c4ccccc4)o3)SC2=S)CC1 ZINC000126476930 823878272 /nfs/dbraw/zinc/87/82/72/823878272.db2.gz XRAGAMVIGPIYHE-AQTBWJFISA-N 0 1 384.526 4.242 20 10 GICDMN C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000176119906 823126883 /nfs/dbraw/zinc/12/68/83/823126883.db2.gz VMYIAZZFDSRCAZ-MHZLTWQESA-N 0 1 383.513 4.387 20 10 GICDMN C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000176119906 823126885 /nfs/dbraw/zinc/12/68/85/823126885.db2.gz VMYIAZZFDSRCAZ-MHZLTWQESA-N 0 1 383.513 4.387 20 10 GICDMN CCn1c2ccccc2nc1[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000180994091 821580959 /nfs/dbraw/zinc/58/09/59/821580959.db2.gz UIDWRXLEUDCZGS-DLBZAZTESA-N 0 1 396.510 4.444 20 10 GICDMN COc1ccc(OC)c([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000178356030 822370690 /nfs/dbraw/zinc/37/06/90/822370690.db2.gz WEKQLXVMGWSMNE-HOTGVXAUSA-N 0 1 388.483 4.091 20 10 GICDMN COc1cc(F)c([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OC ZINC000178666007 822401133 /nfs/dbraw/zinc/40/11/33/822401133.db2.gz WPHFWBVEDDIYHF-HOTGVXAUSA-N 0 1 388.483 4.091 20 10 GICDMN Cc1c(-c2cc(CN(C)Cc3ccc(N4CCCCC4)cc3)on2)cnn1C ZINC000184412137 822630156 /nfs/dbraw/zinc/63/01/56/822630156.db2.gz LIJOOQJUGQFONN-UHFFFAOYSA-N 0 1 379.508 4.006 20 10 GICDMN C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000184853089 822700582 /nfs/dbraw/zinc/70/05/82/822700582.db2.gz YRNBQEDPEUSBJF-UZLBHIALSA-N 0 1 382.529 4.331 20 10 GICDMN CSCC[C@@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)c1nnc2ccccn21 ZINC000184908221 822711573 /nfs/dbraw/zinc/71/15/73/822711573.db2.gz RPBOPCBIXZFZBK-HNAYVOBHSA-N 0 1 396.560 4.459 20 10 GICDMN CC[C@@H]([NH2+]Cc1ccc(NC(C)=O)cc1)c1cc(Br)ccc1[O-] ZINC000186092858 822850833 /nfs/dbraw/zinc/85/08/33/822850833.db2.gz NHLLBWAJJAYZBN-QGZVFWFLSA-N 0 1 377.282 4.354 20 10 GICDMN COc1ccc(O)c([C@H](C)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)c1 ZINC000186267723 822867316 /nfs/dbraw/zinc/86/73/16/822867316.db2.gz MNAZCFILTKRSNG-KRWDZBQOSA-N 0 1 397.519 4.388 20 10 GICDMN Cc1nc([C@@H](NCc2c(O)ccc(Cl)c2F)c2ccc(Cl)cc2)no1 ZINC000191543854 823698112 /nfs/dbraw/zinc/69/81/12/823698112.db2.gz LCMYMBSBNDRMLS-INIZCTEOSA-N 0 1 382.222 4.409 20 10 GICDMN COc1ccc([C@@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])cc1Br ZINC000182109236 822097076 /nfs/dbraw/zinc/09/70/76/822097076.db2.gz MEEIHVZGGVQURK-SNVBAGLBSA-N 0 1 396.256 4.356 20 10 GICDMN COc1ccccc1[C@@H](NCc1cc(OC)c(OC)cc1O)c1ccccc1 ZINC000182203339 822145531 /nfs/dbraw/zinc/14/55/31/822145531.db2.gz PZVXBRXEVSRHNE-QHCPKHFHSA-N 0 1 379.456 4.297 20 10 GICDMN COc1cc(F)c([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OC ZINC000178666032 822401074 /nfs/dbraw/zinc/40/10/74/822401074.db2.gz WPHFWBVEDDIYHF-JKSUJKDBSA-N 0 1 388.483 4.091 20 10 GICDMN Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])N2CCOCC2)o1 ZINC000184909552 822711528 /nfs/dbraw/zinc/71/15/28/822711528.db2.gz HFZZZNANLJVKEJ-UWJYYQICSA-N 0 1 380.488 4.171 20 10 GICDMN C[C@@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1ccc(Br)cc1[O-] ZINC000184973614 822720117 /nfs/dbraw/zinc/72/01/17/822720117.db2.gz BIUMKZITRLGGMS-CYBMUJFWSA-N 0 1 376.298 4.001 20 10 GICDMN C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1ccc2ccccc2c1[O-] ZINC000185031277 822727273 /nfs/dbraw/zinc/72/72/73/822727273.db2.gz RFFOSRNCQANHTR-KSZLIROESA-N 0 1 391.515 4.405 20 10 GICDMN C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2ccccc2c1[O-] ZINC000185118331 822739343 /nfs/dbraw/zinc/73/93/43/822739343.db2.gz KXYBGCIAICXNBP-INIZCTEOSA-N 0 1 394.490 4.496 20 10 GICDMN Cc1nc([C@@H](N[C@H](C)c2ccc(Br)cc2O)c2ccccc2)n[nH]1 ZINC000185324880 822766351 /nfs/dbraw/zinc/76/63/51/822766351.db2.gz HQVOFQZZLRXAOL-DIFFPNOSSA-N 0 1 387.281 4.021 20 10 GICDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC3(CCC3)[C@@H]2C2CC2)C1 ZINC000460980305 823555069 /nfs/dbraw/zinc/55/50/69/823555069.db2.gz OAUSBKARZKVKGL-DEOSSOPVSA-N 0 1 391.559 4.199 20 10 GICDMN CC1(C)C[C@H](NCc2ccc(N3CCOCC3)c(F)c2)c2ccc(F)cc2O1 ZINC000165184889 823838585 /nfs/dbraw/zinc/83/85/85/823838585.db2.gz KJPKJIHFLNORHN-IBGZPJMESA-N 0 1 388.458 4.193 20 10 GICDMN C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000176119924 823126742 /nfs/dbraw/zinc/12/67/42/823126742.db2.gz VMYIAZZFDSRCAZ-HHHXNRCGSA-N 0 1 383.513 4.387 20 10 GICDMN C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000176119924 823126746 /nfs/dbraw/zinc/12/67/46/823126746.db2.gz VMYIAZZFDSRCAZ-HHHXNRCGSA-N 0 1 383.513 4.387 20 10 GICDMN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccc(-n2cncn2)cc1Cl ZINC000122941534 823437140 /nfs/dbraw/zinc/43/71/40/823437140.db2.gz VIRHSJFKAOCTHN-OAHLLOKOSA-N 0 1 381.911 4.154 20 10 GICDMN CCOc1ccc([C@@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])cc1OCC ZINC000181397253 821805703 /nfs/dbraw/zinc/80/57/03/821805703.db2.gz RNQQTGSCHGYNEU-CYBMUJFWSA-N 0 1 375.440 4.382 20 10 GICDMN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1nnc2ccccc2c1O ZINC000181584694 821890259 /nfs/dbraw/zinc/89/02/59/821890259.db2.gz AKNMEMKAPDBRAX-MRXNPFEDSA-N 0 1 399.450 4.032 20 10 GICDMN COC(=O)c1ccc(-c2nc(CN[C@@H](C)c3cc(OC)ccc3O)cs2)cc1 ZINC000182333865 822205502 /nfs/dbraw/zinc/20/55/02/822205502.db2.gz QDYSPLSRODZZQI-ZDUSSCGKSA-N 0 1 398.484 4.162 20 10 GICDMN Cc1cc2cc(/C=C3\SC(=S)N(C4CCN(C)CC4)C3=O)oc2cc1C ZINC000178714941 822405122 /nfs/dbraw/zinc/40/51/22/822405122.db2.gz FZIGZWJVFUMLMG-WQRHYEAKSA-N 0 1 386.542 4.345 20 10 GICDMN C[N@@H+](Cc1ccccc1N1CCOCC1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000179762466 822546100 /nfs/dbraw/zinc/54/61/00/822546100.db2.gz QQVGPJOUMVJWNK-UHFFFAOYSA-N 0 1 381.303 4.168 20 10 GICDMN COc1cc(O)c(CN(Cc2cccc(C)c2)Cc2ccccn2)cc1OC ZINC000180053331 822605053 /nfs/dbraw/zinc/60/50/53/822605053.db2.gz AQWOODSTXQXYEA-UHFFFAOYSA-N 0 1 378.472 4.315 20 10 GICDMN CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])c2ccc(F)cc2C1 ZINC000184515235 822648858 /nfs/dbraw/zinc/64/88/58/822648858.db2.gz KMLQHURVYQXKRQ-HXPMCKFVSA-N 0 1 376.859 4.329 20 10 GICDMN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(O)c(Cl)c1 ZINC000174596754 822810006 /nfs/dbraw/zinc/81/00/06/822810006.db2.gz PLKAWPMUPRQRJK-ZDUSSCGKSA-N 0 1 396.821 4.046 20 10 GICDMN [O-]c1ccc(Br)cc1C[NH2+]C1(c2cccc(F)c2)CCOCC1 ZINC000174647756 822817262 /nfs/dbraw/zinc/81/72/62/822817262.db2.gz LKHWWIXNMGZQSS-UHFFFAOYSA-N 0 1 380.257 4.089 20 10 GICDMN COc1ccc(F)cc1[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000163339921 823702495 /nfs/dbraw/zinc/70/24/95/823702495.db2.gz UQUJPQYZOYBHIQ-CABCVRRESA-N 0 1 376.447 4.222 20 10 GICDMN COc1ccc(Cl)cc1[C@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000165194831 823839544 /nfs/dbraw/zinc/83/95/44/823839544.db2.gz QDRUBPNQQBWACX-AWEZNQCLSA-N 0 1 378.875 4.175 20 10 GICDMN CN(Cc1cnc(-c2cccs2)s1)Cc1ccc(N2CCOCC2)cc1 ZINC000121314125 823161267 /nfs/dbraw/zinc/16/12/67/823161267.db2.gz ZCGKLRRIAHRQCH-UHFFFAOYSA-N 0 1 385.558 4.340 20 10 GICDMN COc1ccc(OCc2ccccn2)c(CNCc2ccc(N(C)C)c(F)c2)c1 ZINC000058474527 823397109 /nfs/dbraw/zinc/39/71/09/823397109.db2.gz PIEZDZYAGBZQCJ-UHFFFAOYSA-N 0 1 395.478 4.164 20 10 GICDMN C[C@@H](N[C@@H]1CCOc2c(Cl)cccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000177951288 822254849 /nfs/dbraw/zinc/25/48/49/822254849.db2.gz CEHZRVNMKJKTBV-AUUYWEPGSA-N 0 1 390.886 4.490 20 10 GICDMN C[C@@H](N[C@@H](c1ccccc1)c1cccnc1)c1ccc(N2CCC(O)CC2)cc1 ZINC000178606914 822396011 /nfs/dbraw/zinc/39/60/11/822396011.db2.gz OOWHMJGJLKYRJQ-CLOONOSVSA-N 0 1 387.527 4.483 20 10 GICDMN CCOCc1cc(CNC2(c3ccc(F)cc3F)CCOCC2)ccc1OC ZINC000179464570 822486531 /nfs/dbraw/zinc/48/65/31/822486531.db2.gz BXFLTKAOAKSXMM-UHFFFAOYSA-N 0 1 391.458 4.305 20 10 GICDMN C[C@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000184853109 822700646 /nfs/dbraw/zinc/70/06/46/822700646.db2.gz YRNBQEDPEUSBJF-OXJNMPFZSA-N 0 1 382.529 4.331 20 10 GICDMN Cc1cc(N2CCC([NH2+][C@H](C)c3ccc4ccccc4c3[O-])CC2)nc(C)n1 ZINC000185655050 822807352 /nfs/dbraw/zinc/80/73/52/822807352.db2.gz YFCAELQYUDFVBU-MRXNPFEDSA-N 0 1 376.504 4.272 20 10 GICDMN CC(C)c1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(Br)cc1O ZINC000185684889 822809914 /nfs/dbraw/zinc/80/99/14/822809914.db2.gz PBTHHOLNUFYLIU-SMDDNHRTSA-N 0 1 379.302 4.055 20 10 GICDMN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(O)c(Cl)c1 ZINC000174596767 822809968 /nfs/dbraw/zinc/80/99/68/822809968.db2.gz PLKAWPMUPRQRJK-CYBMUJFWSA-N 0 1 396.821 4.046 20 10 GICDMN CCc1ccc([C@@H](NCc2ccccc2O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174633742 822815145 /nfs/dbraw/zinc/81/51/45/822815145.db2.gz XAIIFJMQRAYUSP-HSZRJFAPSA-N 0 1 395.524 4.237 20 10 GICDMN COc1cccc([C@@H]2CN(Cc3c(O)ccc4ccc(OC)cc43)CCO2)c1 ZINC000166126555 823870167 /nfs/dbraw/zinc/87/01/67/823870167.db2.gz RRUDQMFEDCGEDW-QHCPKHFHSA-N 0 1 379.456 4.136 20 10 GICDMN CSc1cc(O)ccc1NS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000192155521 823883338 /nfs/dbraw/zinc/88/33/38/823883338.db2.gz CHJRYMQRMWCSGT-UHFFFAOYSA-N 0 1 381.372 4.073 20 10 GICDMN Oc1ccccc1CN(Cc1ccco1)C[C@H](O)COc1ccccc1Cl ZINC000121024814 823104717 /nfs/dbraw/zinc/10/47/17/823104717.db2.gz WJCBRFGGLRAORE-KRWDZBQOSA-N 0 1 387.863 4.081 20 10 GICDMN CCCS(=O)(=O)Nc1cccc(N[C@H](C)c2ccc(F)c(F)c2O)c1C ZINC000187893248 823153583 /nfs/dbraw/zinc/15/35/83/823153583.db2.gz BJWFMRWUPCLNBU-GFCCVEGCSA-N 0 1 384.448 4.304 20 10 GICDMN Cc1cc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)ccc1OC(C)C ZINC000121594190 823212970 /nfs/dbraw/zinc/21/29/70/823212970.db2.gz ZRKMCYLCZUEDNK-UHFFFAOYSA-N 0 1 389.502 4.102 20 10 GICDMN COc1ccc([C@@H](NCc2ccc(N3CCOCC3)cc2)c2ccccc2)cc1 ZINC000022790266 818860777 /nfs/dbraw/zinc/86/07/77/818860777.db2.gz ZARWHUVIFPYNGW-VWLOTQADSA-N 0 1 388.511 4.411 20 10 GICDMN Oc1ccccc1CN(Cc1c(C2CC2)nc2sccn12)C[C@@H]1CCCO1 ZINC000183512892 822488351 /nfs/dbraw/zinc/48/83/51/822488351.db2.gz YNTSTEKRLZNUJB-KRWDZBQOSA-N 0 1 383.517 4.160 20 10 GICDMN C[C@@H](NCc1sccc1Br)c1ccc(N2CCOCC2)c(F)c1 ZINC000180480898 822688964 /nfs/dbraw/zinc/68/89/64/822688964.db2.gz IECHCIAXZNNMDI-GFCCVEGCSA-N 0 1 399.329 4.337 20 10 GICDMN [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000180506441 822692982 /nfs/dbraw/zinc/69/29/82/822692982.db2.gz LPAXBLHHNIHZAS-ZFWWWQNUSA-N 0 1 382.323 4.304 20 10 GICDMN [O-]c1ccc(F)cc1C[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000180513503 822694396 /nfs/dbraw/zinc/69/43/96/822694396.db2.gz FTXPEQTYQNFCTH-UHFFFAOYSA-N 0 1 383.385 4.388 20 10 GICDMN Cc1ccc([C@H](C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])N2CCOCC2)o1 ZINC000184909584 822711839 /nfs/dbraw/zinc/71/18/39/822711839.db2.gz HFZZZNANLJVKEJ-UTKZUKDTSA-N 0 1 380.488 4.171 20 10 GICDMN CCC(CC)C(=O)N1CCC([NH2+][C@@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000185077795 822733860 /nfs/dbraw/zinc/73/38/60/822733860.db2.gz HTEFDHCLBWOVSK-ZDUSSCGKSA-N 0 1 397.357 4.233 20 10 GICDMN CCOc1cccc(CNc2ccc(NC(=O)CN3CCCCCC3)cc2)c1O ZINC000174291983 822764511 /nfs/dbraw/zinc/76/45/11/822764511.db2.gz UKERGLCWRYYJEJ-UHFFFAOYSA-N 0 1 397.519 4.218 20 10 GICDMN C[C@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1cc(Br)ccc1[O-] ZINC000186357938 822881414 /nfs/dbraw/zinc/88/14/14/822881414.db2.gz BCDMYHBDXGEBKC-ISWZSGDOSA-N 0 1 391.309 4.031 20 10 GICDMN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1F ZINC000126136379 823796554 /nfs/dbraw/zinc/79/65/54/823796554.db2.gz ZPOWKJZWPKPOHV-CQSZACIVSA-N 0 1 393.300 4.276 20 10 GICDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H](OC1CCOCC1)c1ccccc1 ZINC000122699799 823397012 /nfs/dbraw/zinc/39/70/12/823397012.db2.gz GEFAUYRPAFLWRJ-YCRPNKLZSA-N 0 1 375.896 4.461 20 10 GICDMN Cc1cc(C(=O)NC[C@@H](c2ccsc2)N(C)C)c(C)n1-c1ccc(F)cc1 ZINC000025810697 820027414 /nfs/dbraw/zinc/02/74/14/820027414.db2.gz IDXVNJZUHAGRSM-FQEVSTJZSA-N 0 1 385.508 4.327 20 10 GICDMN Cn1cc([C@H]2CSCCN2Cc2c3c(ccc2O)oc2c3CCCC2)cn1 ZINC000189873852 823508671 /nfs/dbraw/zinc/50/86/71/823508671.db2.gz VACFMWYYSAKZHJ-QGZVFWFLSA-N 0 1 383.517 4.041 20 10 GICDMN C[C@H](N[C@@H]1CCCOc2c(F)cccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000181331140 821764081 /nfs/dbraw/zinc/76/40/81/821764081.db2.gz XFPSYHZGHHCHGE-MGPUTAFESA-N 0 1 388.458 4.366 20 10 GICDMN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179348859 822469178 /nfs/dbraw/zinc/46/91/78/822469178.db2.gz GVNUDZAOJIBSNB-IBGZPJMESA-N 0 1 389.503 4.109 20 10 GICDMN C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1nc2c(s1)CCCC2 ZINC000179405620 822478251 /nfs/dbraw/zinc/47/82/51/822478251.db2.gz HTDNEACAAJGCIH-INIZCTEOSA-N 0 1 385.577 4.081 20 10 GICDMN CSCC[C@H](N[C@@H](C)c1cc(Cl)ccc1O)c1nnc2ccccn21 ZINC000184907587 822711264 /nfs/dbraw/zinc/71/12/64/822711264.db2.gz XHBPKFLUTZSJJA-WFASDCNBSA-N 0 1 376.913 4.233 20 10 GICDMN CSCC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1nnc2ccccn21 ZINC000184907587 822711265 /nfs/dbraw/zinc/71/12/65/822711265.db2.gz XHBPKFLUTZSJJA-WFASDCNBSA-N 0 1 376.913 4.233 20 10 GICDMN C[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccc(Br)cc1[O-] ZINC000184984374 822721744 /nfs/dbraw/zinc/72/17/44/822721744.db2.gz AWXBMZDNUYPMBK-ZDUSSCGKSA-N 0 1 376.298 4.001 20 10 GICDMN COc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])c(OC)c1OC ZINC000185067328 822731925 /nfs/dbraw/zinc/73/19/25/822731925.db2.gz JJLMVRWOLURYRU-NSHDSACASA-N 0 1 396.281 4.031 20 10 GICDMN C[C@@H](N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1O ZINC000185593818 822800156 /nfs/dbraw/zinc/80/01/56/822800156.db2.gz IJFBJRCSDGHFPI-QRQCRPRQSA-N 0 1 399.487 4.375 20 10 GICDMN COc1ccc(N2CCCN(Cc3coc(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000052466251 822800731 /nfs/dbraw/zinc/80/07/31/822800731.db2.gz SPPHLMOPRDGORY-UHFFFAOYSA-N 0 1 381.451 4.202 20 10 GICDMN CN(C)c1ccc(CN[C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174631626 822814899 /nfs/dbraw/zinc/81/48/99/822814899.db2.gz JMRUFZCLXYRRBI-QHCPKHFHSA-N 0 1 394.540 4.035 20 10 GICDMN COc1ccc(O)c([C@@H](C)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)c1 ZINC000186267747 822867397 /nfs/dbraw/zinc/86/73/97/822867397.db2.gz MNAZCFILTKRSNG-QGZVFWFLSA-N 0 1 397.519 4.388 20 10 GICDMN [O-]c1ccc2cc(Br)ccc2c1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000054495171 822890712 /nfs/dbraw/zinc/89/07/12/822890712.db2.gz IVFKDWDJIJHJFO-ZDUSSCGKSA-N 0 1 376.294 4.309 20 10 GICDMN [O-]c1ccc2cc(Br)ccc2c1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000054495171 822890717 /nfs/dbraw/zinc/89/07/17/822890717.db2.gz IVFKDWDJIJHJFO-ZDUSSCGKSA-N 0 1 376.294 4.309 20 10 GICDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cc(C3CC3)ccn2)C1 ZINC000461433113 823636290 /nfs/dbraw/zinc/63/62/90/823636290.db2.gz POOOWEFFOLBCMR-UHFFFAOYSA-N 0 1 388.515 4.319 20 10 GICDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H](C)CC(F)(F)F)C1 ZINC000412676310 823673790 /nfs/dbraw/zinc/67/37/90/823673790.db2.gz MFPHGDMUOCKZCQ-HNNXBMFYSA-N 0 1 395.469 4.113 20 10 GICDMN CC[C@@H](N[C@H](CCSC)c1nnc2ccccn21)c1ccc(N(C)C)cc1 ZINC000164261930 823790961 /nfs/dbraw/zinc/79/09/61/823790961.db2.gz PFNQFPOFSBHFAX-RTBURBONSA-N 0 1 383.565 4.330 20 10 GICDMN CC[C@@H](N[C@@H](CCSC)c1nnc2ccccn21)c1ccc(N(C)C)cc1 ZINC000164261701 823791084 /nfs/dbraw/zinc/79/10/84/823791084.db2.gz PFNQFPOFSBHFAX-MOPGFXCFSA-N 0 1 383.565 4.330 20 10 GICDMN Cn1c(=O)sc2cc(CN(Cc3ccco3)Cc3ccccc3O)ccc21 ZINC000192615041 824046341 /nfs/dbraw/zinc/04/63/41/824046341.db2.gz ZSJHCDSDQJTZRK-UHFFFAOYSA-N 0 1 380.469 4.101 20 10 GICDMN Cc1cc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)ccc1OC(C)C ZINC000121577872 823209850 /nfs/dbraw/zinc/20/98/50/823209850.db2.gz HGHIPTMPDRHGGA-UHFFFAOYSA-N 0 1 389.502 4.102 20 10 GICDMN C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2ccccc2n1 ZINC000178536420 822389196 /nfs/dbraw/zinc/38/91/96/822389196.db2.gz NOMFNYBHJVJOHF-INIZCTEOSA-N 0 1 379.479 4.186 20 10 GICDMN Cc1ccc(O)c(CN(Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)c1 ZINC000179420468 822479954 /nfs/dbraw/zinc/47/99/54/822479954.db2.gz IWLWKHLJAZARRL-UHFFFAOYSA-N 0 1 390.483 4.388 20 10 GICDMN Cc1cccc(CN(Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)c1O ZINC000179718167 822534248 /nfs/dbraw/zinc/53/42/48/822534248.db2.gz IZTOGGZESKQTIP-UHFFFAOYSA-N 0 1 390.483 4.388 20 10 GICDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1[O-] ZINC000180505224 822692559 /nfs/dbraw/zinc/69/25/59/822692559.db2.gz MLOWYTAIRBPHBO-ZFWWWQNUSA-N 0 1 382.869 4.103 20 10 GICDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c1[O-] ZINC000180505204 822692592 /nfs/dbraw/zinc/69/25/92/822692592.db2.gz MLOWYTAIRBPHBO-DZGCQCFKSA-N 0 1 382.869 4.103 20 10 GICDMN C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc2ccccc2c1[O-] ZINC000185109430 822738223 /nfs/dbraw/zinc/73/82/23/822738223.db2.gz QBOGNLTVLYPEQD-JKSUJKDBSA-N 0 1 398.528 4.208 20 10 GICDMN CCN(Cc1cc(Br)ccc1O)Cc1cc(F)cc2c1OCOC2 ZINC000174425769 822788430 /nfs/dbraw/zinc/78/84/30/822788430.db2.gz KFLNFZOCOSAAKI-UHFFFAOYSA-N 0 1 396.256 4.182 20 10 GICDMN CC(C)c1nc2n(n1)CCC[C@H]2N[C@@H](C)c1cc(Br)ccc1O ZINC000185683539 822809796 /nfs/dbraw/zinc/80/97/96/822809796.db2.gz QJGDCCHGZMOBDU-SMDDNHRTSA-N 0 1 379.302 4.055 20 10 GICDMN CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000186164430 822857325 /nfs/dbraw/zinc/85/73/25/822857325.db2.gz SINFYLLDBRUGJS-WMZOPIPTSA-N 0 1 383.513 4.449 20 10 GICDMN Cc1ccc(CNC(=O)c2cccc(CNCc3ccc4c(c3)CCO4)c2)cc1 ZINC000054175471 822865920 /nfs/dbraw/zinc/86/59/20/822865920.db2.gz BDELRIVNKBGPAX-UHFFFAOYSA-N 0 1 386.495 4.150 20 10 GICDMN [O-]c1ccc(Br)cc1C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000124555781 823606284 /nfs/dbraw/zinc/60/62/84/823606284.db2.gz BKHPSIHTIDWPET-LJQANCHMSA-N 0 1 376.294 4.100 20 10 GICDMN Cc1nc([C@H](NCc2c(O)ccc(Cl)c2F)c2ccc(Cl)cc2)no1 ZINC000191543841 823697945 /nfs/dbraw/zinc/69/79/45/823697945.db2.gz LCMYMBSBNDRMLS-MRXNPFEDSA-N 0 1 382.222 4.409 20 10 GICDMN CN1CCC(N2C(=O)/C(=C/c3cccc(Cl)c3Cl)SC2=S)CC1 ZINC000063824423 823699700 /nfs/dbraw/zinc/69/97/00/823699700.db2.gz RASODGWDOUJFID-LCYFTJDESA-N 0 1 387.357 4.289 20 10 GICDMN CN1CCC(N2C(=O)/C(=C/c3cc(Cl)cc(Cl)c3)SC2=S)CC1 ZINC000063823882 823699729 /nfs/dbraw/zinc/69/97/29/823699729.db2.gz YPWBSVPDTGCCGI-ZSOIEALJSA-N 0 1 387.357 4.289 20 10 GICDMN Oc1c(Cl)cc(Cl)cc1CNc1ccc(Cc2nnc3n2CCC3)cc1 ZINC000191648101 823723725 /nfs/dbraw/zinc/72/37/25/823723725.db2.gz NUKIBSVIUSKFOH-UHFFFAOYSA-N 0 1 389.286 4.440 20 10 GICDMN C[C@@H](NCc1ccccc1Br)c1ccc(N2CCOCC2)c(F)c1 ZINC000120955205 823092498 /nfs/dbraw/zinc/09/24/98/823092498.db2.gz GRRYNFOILHHDMJ-CQSZACIVSA-N 0 1 393.300 4.276 20 10 GICDMN Cc1ccc2c(c1)nc(CNCc1ccc(OCc3ccccc3)cc1O)n2C ZINC000187589543 823093686 /nfs/dbraw/zinc/09/36/86/823093686.db2.gz DJZXDIMDNWRHDX-UHFFFAOYSA-N 0 1 387.483 4.456 20 10 GICDMN Cc1cc(C(=O)NC[C@H](c2ccsc2)N(C)C)c(C)n1-c1ccc(F)cc1 ZINC000025810701 820027632 /nfs/dbraw/zinc/02/76/32/820027632.db2.gz IDXVNJZUHAGRSM-HXUWFJFHSA-N 0 1 385.508 4.327 20 10 GICDMN COC(=O)c1ccc(-c2nc(CN[C@H](C)c3cc(OC)ccc3O)cs2)cc1 ZINC000182333887 822205442 /nfs/dbraw/zinc/20/54/42/822205442.db2.gz QDYSPLSRODZZQI-CYBMUJFWSA-N 0 1 398.484 4.162 20 10 GICDMN C[C@H](N[C@H](c1ccccc1)c1ccncc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178705468 822404493 /nfs/dbraw/zinc/40/44/93/822404493.db2.gz QLKNSUORMGMXGI-MHECFPHRSA-N 0 1 391.490 4.498 20 10 GICDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1[O-] ZINC000180505258 822692647 /nfs/dbraw/zinc/69/26/47/822692647.db2.gz MLOWYTAIRBPHBO-HIFRSBDPSA-N 0 1 382.869 4.103 20 10 GICDMN Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])N2CCOCC2)o1 ZINC000184909566 822711603 /nfs/dbraw/zinc/71/16/03/822711603.db2.gz HFZZZNANLJVKEJ-DYESRHJHSA-N 0 1 380.488 4.171 20 10 GICDMN COc1ccc(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])c(OC)c1OC ZINC000185066928 822731858 /nfs/dbraw/zinc/73/18/58/822731858.db2.gz BXNBUIABQUJSDX-LLVKDONJSA-N 0 1 396.281 4.031 20 10 GICDMN [O-]c1ccc2oc3c(c2c1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1)CCCC3 ZINC000175253215 822915151 /nfs/dbraw/zinc/91/51/51/822915151.db2.gz GTGWYDOPWHWLMH-KRWDZBQOSA-N 0 1 385.504 4.177 20 10 GICDMN O=C(CC1CC[NH+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1)N1CCCC1 ZINC000123926033 823552277 /nfs/dbraw/zinc/55/22/77/823552277.db2.gz RNVDXJMKCFZUQR-UHFFFAOYSA-N 0 1 396.531 4.242 20 10 GICDMN COc1cc(CN(C)Cc2ccc([S@](C)=O)cc2)c(O)c(C(C)(C)C)c1 ZINC000164462047 823803631 /nfs/dbraw/zinc/80/36/31/823803631.db2.gz FIZAWTADBSZOEF-AREMUKBSSA-N 0 1 375.534 4.068 20 10 GICDMN CCOc1ccc(-n2c(C)cc(C(=O)CSc3n[nH]c(CC)n3)c2C)cc1 ZINC000011715563 818112662 /nfs/dbraw/zinc/11/26/62/818112662.db2.gz QUEIJLQVQLZHFW-UHFFFAOYSA-N 0 1 384.505 4.148 20 10 GICDMN CCOc1ccc(-n2c(C)cc(C(=O)CSc3nc(CC)n[nH]3)c2C)cc1 ZINC000011715563 818112666 /nfs/dbraw/zinc/11/26/66/818112666.db2.gz QUEIJLQVQLZHFW-UHFFFAOYSA-N 0 1 384.505 4.148 20 10 GICDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H](OC1CCOCC1)c1ccccc1 ZINC000122699538 823397126 /nfs/dbraw/zinc/39/71/26/823397126.db2.gz GEFAUYRPAFLWRJ-VFNWGFHPSA-N 0 1 375.896 4.461 20 10 GICDMN C[C@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1cc(Br)ccc1[O-] ZINC000181010098 821590996 /nfs/dbraw/zinc/59/09/96/821590996.db2.gz OFUFBVVOGXWBFI-ZDUSSCGKSA-N 0 1 376.298 4.001 20 10 GICDMN C[C@@H](NCc1ccc(OC(C)(C)C)nc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000181350918 821779733 /nfs/dbraw/zinc/77/97/33/821779733.db2.gz ZGQCXEIQIXBEMW-MRXNPFEDSA-N 0 1 387.499 4.085 20 10 GICDMN COc1cccc2cc([C@@H](C)NCc3ccc(N4CCC(O)CC4)c(F)c3)oc21 ZINC000181563252 821882661 /nfs/dbraw/zinc/88/26/61/821882661.db2.gz TZYZVFQFLLTGEM-OAHLLOKOSA-N 0 1 398.478 4.392 20 10 GICDMN C[C@H](N[C@H]1CCOc2c(Cl)cccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000177951302 822254897 /nfs/dbraw/zinc/25/48/97/822254897.db2.gz CEHZRVNMKJKTBV-LIRRHRJNSA-N 0 1 390.886 4.490 20 10 GICDMN COc1cc(F)c([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1OC ZINC000178666019 822401141 /nfs/dbraw/zinc/40/11/41/822401141.db2.gz WPHFWBVEDDIYHF-CVEARBPZSA-N 0 1 388.483 4.091 20 10 GICDMN C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1nc2c(s1)CCCC2 ZINC000179405631 822478216 /nfs/dbraw/zinc/47/82/16/822478216.db2.gz HTDNEACAAJGCIH-MRXNPFEDSA-N 0 1 385.577 4.081 20 10 GICDMN CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000179739510 822539883 /nfs/dbraw/zinc/53/98/83/822539883.db2.gz ZCWATKIBFDXBIE-NSHDSACASA-N 0 1 375.296 4.046 20 10 GICDMN CCSc1cccc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)c1 ZINC000184581404 822660948 /nfs/dbraw/zinc/66/09/48/822660948.db2.gz HPNCXBBYQLTIPI-VBKFSLOCSA-N 0 1 378.588 4.094 20 10 GICDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000180504200 822692431 /nfs/dbraw/zinc/69/24/31/822692431.db2.gz TWQBBGOUYRJJMQ-HOCLYGCPSA-N 0 1 382.323 4.304 20 10 GICDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000180504200 822692434 /nfs/dbraw/zinc/69/24/34/822692434.db2.gz TWQBBGOUYRJJMQ-HOCLYGCPSA-N 0 1 382.323 4.304 20 10 GICDMN C[C@@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000184904164 822710673 /nfs/dbraw/zinc/71/06/73/822710673.db2.gz UUWGDALAJAAIOK-WZONZLPQSA-N 0 1 376.500 4.270 20 10 GICDMN C[C@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1ccc2ccccc2c1[O-] ZINC000185033372 822727509 /nfs/dbraw/zinc/72/75/09/822727509.db2.gz GYJQBQXDHAGXDL-SJORKVTESA-N 0 1 377.488 4.016 20 10 GICDMN [O-]c1ccc2oc3c(c2c1C[NH+]1CCC(OC[C@H]2CCCO2)CC1)CCCC3 ZINC000175253230 822915362 /nfs/dbraw/zinc/91/53/62/822915362.db2.gz GTGWYDOPWHWLMH-QGZVFWFLSA-N 0 1 385.504 4.177 20 10 GICDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC(C)(C)[C@@H]2C2CC2)C1 ZINC000460973539 823553618 /nfs/dbraw/zinc/55/36/18/823553618.db2.gz MXUVHFSJBCNNCF-QHCPKHFHSA-N 0 1 379.548 4.055 20 10 GICDMN C[C@H](c1ccccc1)N(CC(=O)NCc1cccs1)Cc1ccccc1O ZINC000176678516 823265695 /nfs/dbraw/zinc/26/56/95/823265695.db2.gz YHVQOANVNPNQJL-QGZVFWFLSA-N 0 1 380.513 4.333 20 10 GICDMN COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000176763165 823286599 /nfs/dbraw/zinc/28/65/99/823286599.db2.gz VBDRIPYCQCCWGF-UHFFFAOYSA-N 0 1 383.275 4.134 20 10 GICDMN CCCN(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000022015287 818763720 /nfs/dbraw/zinc/76/37/20/818763720.db2.gz HLEFKCSDEOMQEV-GOSISDBHSA-N 0 1 395.609 4.386 20 10 GICDMN COc1cccc([C@@H](NCc2cccc(OC)c2O)c2cc(F)ccc2OC)c1 ZINC000177562764 823491898 /nfs/dbraw/zinc/49/18/98/823491898.db2.gz BNOYPXDZJLSLIL-JOCHJYFZSA-N 0 1 397.446 4.436 20 10 GICDMN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC000181121024 821646366 /nfs/dbraw/zinc/64/63/66/821646366.db2.gz WGHOYTQYFNZWOO-SECBINFHSA-N 0 1 376.363 4.097 20 10 GICDMN O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181125735 821649027 /nfs/dbraw/zinc/64/90/27/821649027.db2.gz VKXCNUYOSAATBX-UHFFFAOYSA-N 0 1 383.402 4.198 20 10 GICDMN COc1cc(C)cc(CN2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1O ZINC000181430307 821822881 /nfs/dbraw/zinc/82/28/81/821822881.db2.gz BIDJWIUYBLIBKM-SFHVURJKSA-N 0 1 381.394 4.302 20 10 GICDMN COc1ccc(OC)c([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000178356065 822370782 /nfs/dbraw/zinc/37/07/82/822370782.db2.gz WEKQLXVMGWSMNE-HZPDHXFCSA-N 0 1 388.483 4.091 20 10 GICDMN COc1ccc(N2CCC(N[C@H](C)c3ncc(Br)s3)CC2)cc1 ZINC000179222458 822453338 /nfs/dbraw/zinc/45/33/38/822453338.db2.gz AIGTTZHBCVVNCH-GFCCVEGCSA-N 0 1 396.354 4.234 20 10 GICDMN COc1ccc(O)c(CN(CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)c1 ZINC000179576973 822506194 /nfs/dbraw/zinc/50/61/94/822506194.db2.gz FIDRTLOCPHTMRP-UHFFFAOYSA-N 0 1 396.409 4.269 20 10 GICDMN CN1CCO[C@H]([C@H](NCc2ccc(N3CCCC3)cc2)c2ccc(Cl)cc2)C1 ZINC000179765335 822547130 /nfs/dbraw/zinc/54/71/30/822547130.db2.gz DBYANIFFTYSCPL-XZOQPEGZSA-N 0 1 399.966 4.102 20 10 GICDMN CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2[O-])c2ccc(F)cc2C1 ZINC000184515289 822648811 /nfs/dbraw/zinc/64/88/11/822648811.db2.gz KMLQHURVYQXKRQ-BLVKFPJESA-N 0 1 376.859 4.329 20 10 GICDMN C[C@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000184904143 822710603 /nfs/dbraw/zinc/71/06/03/822710603.db2.gz UUWGDALAJAAIOK-FDDCHVKYSA-N 0 1 376.500 4.270 20 10 GICDMN CSCC[C@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)c1nnc2ccccn21 ZINC000184908184 822711366 /nfs/dbraw/zinc/71/13/66/822711366.db2.gz RPBOPCBIXZFZBK-KXBFYZLASA-N 0 1 396.560 4.459 20 10 GICDMN Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])N2CCOCC2)o1 ZINC000184909529 822711629 /nfs/dbraw/zinc/71/16/29/822711629.db2.gz HFZZZNANLJVKEJ-LAUBAEHRSA-N 0 1 380.488 4.171 20 10 GICDMN C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000185109414 822738247 /nfs/dbraw/zinc/73/82/47/822738247.db2.gz QBOGNLTVLYPEQD-CVEARBPZSA-N 0 1 398.528 4.208 20 10 GICDMN Cc1cc(Br)cc([C@@H](C)N[C@@H]2CCCn3nc(C(C)C)nc32)c1O ZINC000187294016 823038229 /nfs/dbraw/zinc/03/82/29/823038229.db2.gz LILDYBWMJZAWDR-IUODEOHRSA-N 0 1 393.329 4.364 20 10 GICDMN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000122426844 823352574 /nfs/dbraw/zinc/35/25/74/823352574.db2.gz NLLXQXFRMNSLBE-HNNXBMFYSA-N 0 1 391.918 4.233 20 10 GICDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H](OC1CCOCC1)c1ccccc1 ZINC000122699330 823396980 /nfs/dbraw/zinc/39/69/80/823396980.db2.gz GEFAUYRPAFLWRJ-BTYIYWSLSA-N 0 1 375.896 4.461 20 10 GICDMN CO[C@@H](c1noc(Cn2c3ccccc3c3c2CCN(C(C)C)C3)n1)C(C)C ZINC000572863910 823410817 /nfs/dbraw/zinc/41/08/17/823410817.db2.gz KOWNUYUCZVMZAC-OAQYLSRUSA-N 0 1 382.508 4.183 20 10 GICDMN CCn1c2ccccc2nc1[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000180994110 821581844 /nfs/dbraw/zinc/58/18/44/821581844.db2.gz UIDWRXLEUDCZGS-IRXDYDNUSA-N 0 1 396.510 4.444 20 10 GICDMN C[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1cc(Br)ccc1[O-] ZINC000181010774 821591647 /nfs/dbraw/zinc/59/16/47/821591647.db2.gz CBFQBDAJOBGLMO-CYBMUJFWSA-N 0 1 376.298 4.001 20 10 GICDMN C[C@H](N[C@H]1CCCOc2c(F)cccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000181331181 821764067 /nfs/dbraw/zinc/76/40/67/821764067.db2.gz XFPSYHZGHHCHGE-YWZLYKJASA-N 0 1 388.458 4.366 20 10 GICDMN COc1ccc(OC)c([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000178356053 822370710 /nfs/dbraw/zinc/37/07/10/822370710.db2.gz WEKQLXVMGWSMNE-JKSUJKDBSA-N 0 1 388.483 4.091 20 10 GICDMN C[C@H](N[C@H](c1ccccc1)c1cccnc1)c1ccc(N2CCC(O)CC2)cc1 ZINC000178606927 822396046 /nfs/dbraw/zinc/39/60/46/822396046.db2.gz OOWHMJGJLKYRJQ-UQBPGWFLSA-N 0 1 387.527 4.483 20 10 GICDMN C[C@H](N[C@@H]1CCCOc2cc(F)ccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000179968157 822587402 /nfs/dbraw/zinc/58/74/02/822587402.db2.gz ZWUYQIRROFDYMX-MGPUTAFESA-N 0 1 388.458 4.366 20 10 GICDMN C[C@@H](N[C@@H]1CCCOc2cc(F)ccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000179968172 822587404 /nfs/dbraw/zinc/58/74/04/822587404.db2.gz ZWUYQIRROFDYMX-FOIQADDNSA-N 0 1 388.458 4.366 20 10 GICDMN C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000184853071 822700592 /nfs/dbraw/zinc/70/05/92/822700592.db2.gz YRNBQEDPEUSBJF-JXFKEZNVSA-N 0 1 382.529 4.331 20 10 GICDMN C[C@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000184904103 822710625 /nfs/dbraw/zinc/71/06/25/822710625.db2.gz UUWGDALAJAAIOK-MBSDFSHPSA-N 0 1 376.500 4.270 20 10 GICDMN COc1ccc(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])c(OC)c1OC ZINC000185066905 822731909 /nfs/dbraw/zinc/73/19/09/822731909.db2.gz BXNBUIABQUJSDX-NSHDSACASA-N 0 1 396.281 4.031 20 10 GICDMN Cc1nc([C@H](N[C@@H](C)c2ccc(Br)cc2O)c2ccccc2)n[nH]1 ZINC000185324827 822766342 /nfs/dbraw/zinc/76/63/42/822766342.db2.gz HQVOFQZZLRXAOL-APPDUMDISA-N 0 1 387.281 4.021 20 10 GICDMN CCN1CCN(c2ccc(CN[C@H](C)c3csc(C(C)C)n3)cc2F)CC1 ZINC000186328554 822876820 /nfs/dbraw/zinc/87/68/20/822876820.db2.gz IOWWMOCJNJTQSL-MRXNPFEDSA-N 0 1 390.572 4.398 20 10 GICDMN CC1(C)C[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)c2ccc(F)cc2O1 ZINC000165185022 823838559 /nfs/dbraw/zinc/83/85/59/823838559.db2.gz KJPKJIHFLNORHN-LJQANCHMSA-N 0 1 388.458 4.193 20 10 GICDMN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccc(Cl)nc1Cl ZINC000176211447 823153837 /nfs/dbraw/zinc/15/38/37/823153837.db2.gz UNIXHSZCCMOTLP-UHFFFAOYSA-N 0 1 375.277 4.327 20 10 GICDMN CCNC(=O)c1cccc(CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)c1 ZINC000177880843 823540464 /nfs/dbraw/zinc/54/04/64/823540464.db2.gz HWIZFLHDEQVPCK-QGZVFWFLSA-N 0 1 383.511 4.417 20 10 GICDMN CCn1c2ccccc2nc1[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000180994145 821581527 /nfs/dbraw/zinc/58/15/27/821581527.db2.gz UIDWRXLEUDCZGS-SJORKVTESA-N 0 1 396.510 4.444 20 10 GICDMN C[C@@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000184904122 822710702 /nfs/dbraw/zinc/71/07/02/822710702.db2.gz UUWGDALAJAAIOK-JPYJTQIMSA-N 0 1 376.500 4.270 20 10 GICDMN C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1cc(Cl)ccc1[O-] ZINC000185018385 822725847 /nfs/dbraw/zinc/72/58/47/822725847.db2.gz FKTMUJDQNUIGNC-CYBMUJFWSA-N 0 1 376.859 4.140 20 10 GICDMN C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1cc(Cl)ccc1[O-] ZINC000185058286 822730532 /nfs/dbraw/zinc/73/05/32/822730532.db2.gz OPMBDDRGOJSKIJ-UONOGXRCSA-N 0 1 388.895 4.115 20 10 GICDMN CC[C@@](C)(NCc1cc(Br)cc(OC)c1O)c1nc(C)cs1 ZINC000174502882 822797757 /nfs/dbraw/zinc/79/77/57/822797757.db2.gz GKVMMWVIDRVXBW-MRXNPFEDSA-N 0 1 385.327 4.343 20 10 GICDMN CCc1cc(N2CCC([NH2+][C@H](C)c3ccc4ccccc4c3[O-])CC2)ncn1 ZINC000185642895 822806103 /nfs/dbraw/zinc/80/61/03/822806103.db2.gz OKOVQFRUYDGVPO-MRXNPFEDSA-N 0 1 376.504 4.217 20 10 GICDMN CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000186164459 822857345 /nfs/dbraw/zinc/85/73/45/822857345.db2.gz SINFYLLDBRUGJS-AEFFLSMTSA-N 0 1 383.513 4.449 20 10 GICDMN Cc1cc(Br)cc([C@H](C)N[C@H]2CCCn3nc(C(C)C)nc32)c1O ZINC000187294072 823038222 /nfs/dbraw/zinc/03/82/22/823038222.db2.gz LILDYBWMJZAWDR-WFASDCNBSA-N 0 1 393.329 4.364 20 10 GICDMN COc1ccc(N2CCC(N[C@@H](c3nccs3)c3ccccc3)CC2)cc1 ZINC000123212730 823479554 /nfs/dbraw/zinc/47/95/54/823479554.db2.gz FJWKSBRZQNIHMZ-OAQYLSRUSA-N 0 1 379.529 4.500 20 10 GICDMN COc1cccc([C@H](NCc2cccc(OC)c2O)c2cc(F)ccc2OC)c1 ZINC000177562746 823491776 /nfs/dbraw/zinc/49/17/76/823491776.db2.gz BNOYPXDZJLSLIL-QFIPXVFZSA-N 0 1 397.446 4.436 20 10 GICDMN COc1ccc(N2CCC(N[C@@H](C)c3ncc(Br)s3)CC2)cc1 ZINC000179222389 822453278 /nfs/dbraw/zinc/45/32/78/822453278.db2.gz AIGTTZHBCVVNCH-LBPRGKRZSA-N 0 1 396.354 4.234 20 10 GICDMN CC(C)(NCc1ccc(N2CCOCC2)cc1)c1ccccc1Br ZINC000179329719 822466942 /nfs/dbraw/zinc/46/69/42/822466942.db2.gz CPMAZSLAJILKQB-UHFFFAOYSA-N 0 1 389.337 4.311 20 10 GICDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000180504181 822692356 /nfs/dbraw/zinc/69/23/56/822692356.db2.gz TWQBBGOUYRJJMQ-GOEBONIOSA-N 0 1 382.323 4.304 20 10 GICDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000180504181 822692358 /nfs/dbraw/zinc/69/23/58/822692358.db2.gz TWQBBGOUYRJJMQ-GOEBONIOSA-N 0 1 382.323 4.304 20 10 GICDMN COc1cc(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])cc(OC)c1OC ZINC000184894909 822709143 /nfs/dbraw/zinc/70/91/43/822709143.db2.gz FIGWXTJTZCSDMS-NSHDSACASA-N 0 1 396.281 4.031 20 10 GICDMN CSCC[C@@H](N[C@H](C)c1cc2c(cc1O)CCCC2)c1nnc2ccccn21 ZINC000184908240 822711564 /nfs/dbraw/zinc/71/15/64/822711564.db2.gz RPBOPCBIXZFZBK-DNVCBOLYSA-N 0 1 396.560 4.459 20 10 GICDMN C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc2ccccc2c1[O-] ZINC000185072210 822732758 /nfs/dbraw/zinc/73/27/58/822732758.db2.gz TVVKTNCFRMHTCH-MRXNPFEDSA-N 0 1 380.463 4.372 20 10 GICDMN CC(C)c1nc2n(n1)CCC[C@H]2N[C@H](C)c1cc(Br)ccc1O ZINC000185683570 822809737 /nfs/dbraw/zinc/80/97/37/822809737.db2.gz QJGDCCHGZMOBDU-BXUZGUMPSA-N 0 1 379.302 4.055 20 10 GICDMN CCOc1ccc(Oc2cc(CNCc3ccc4c(c3)CCO4)ccn2)cc1 ZINC000054176039 822866172 /nfs/dbraw/zinc/86/61/72/822866172.db2.gz SHQUUXCVNNQYOT-UHFFFAOYSA-N 0 1 376.456 4.497 20 10 GICDMN COc1ccc(F)cc1[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000163340151 823702549 /nfs/dbraw/zinc/70/25/49/823702549.db2.gz UQUJPQYZOYBHIQ-HUUCEWRRSA-N 0 1 376.447 4.222 20 10 GICDMN C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000125913931 823742532 /nfs/dbraw/zinc/74/25/32/823742532.db2.gz DBMIZZPCJVPBES-NSHDSACASA-N 0 1 388.316 4.296 20 10 GICDMN C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000125913931 823742541 /nfs/dbraw/zinc/74/25/41/823742541.db2.gz DBMIZZPCJVPBES-NSHDSACASA-N 0 1 388.316 4.296 20 10 GICDMN CCN(C)c1ccc([C@@H](C)N[C@@H](CCSC)c2nnc3ccccn32)cc1 ZINC000164216016 823786636 /nfs/dbraw/zinc/78/66/36/823786636.db2.gz CAJBJFLLERRUHN-APWZRJJASA-N 0 1 383.565 4.330 20 10 GICDMN Fc1cc(CN[C@H]2CCCOc3c(Cl)cccc32)ccc1N1CCOCC1 ZINC000165174930 823838167 /nfs/dbraw/zinc/83/81/67/823838167.db2.gz BMZMUUYTAZNNKV-IBGZPJMESA-N 0 1 390.886 4.319 20 10 GICDMN Cc1ncc([C@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 ZINC000127072993 824011581 /nfs/dbraw/zinc/01/15/81/824011581.db2.gz HERYAYBKXLQEQM-LBPRGKRZSA-N 0 1 385.455 4.158 20 10 GICDMN CCOc1cc2c(cc1OCC)C[N@H+](Cc1c([O-])ccc3ccncc31)CC2 ZINC000021996577 818762442 /nfs/dbraw/zinc/76/24/42/818762442.db2.gz ZHLMBEHJTRIZHH-UHFFFAOYSA-N 0 1 378.472 4.296 20 10 GICDMN CCOc1cc2c(cc1OCC)C[N@@H+](Cc1c([O-])ccc3ccncc31)CC2 ZINC000021996577 818762448 /nfs/dbraw/zinc/76/24/48/818762448.db2.gz ZHLMBEHJTRIZHH-UHFFFAOYSA-N 0 1 378.472 4.296 20 10 GICDMN COc1ccccc1[C@H](NCc1cc(OC)c(OC)cc1O)c1ccccc1 ZINC000182203322 822145392 /nfs/dbraw/zinc/14/53/92/822145392.db2.gz PZVXBRXEVSRHNE-HSZRJFAPSA-N 0 1 379.456 4.297 20 10 GICDMN COc1ccc(O)c([C@@H](C)NCc2csc(-c3ccc4c(c3)OCO4)n2)c1 ZINC000182368622 822217682 /nfs/dbraw/zinc/21/76/82/822217682.db2.gz QKXNYYKSYRETMA-GFCCVEGCSA-N 0 1 384.457 4.104 20 10 GICDMN COc1ccc(O)c([C@@H](C)NCc2csc(-c3ccc(O)c(OC)c3)n2)c1 ZINC000182440816 822243906 /nfs/dbraw/zinc/24/39/06/822243906.db2.gz FFDIYUOLKCDREE-GFCCVEGCSA-N 0 1 386.473 4.089 20 10 GICDMN OC1CCN(c2ccc(CN[C@H]3CCSc4c(F)cccc43)cc2F)CC1 ZINC000178536212 822389235 /nfs/dbraw/zinc/38/92/35/822389235.db2.gz SHQXVZONYVYHBK-IBGZPJMESA-N 0 1 390.499 4.253 20 10 GICDMN CN(Cc1ccc([S@](C)=O)cc1)Cc1ccc(OCc2ccccc2)cc1O ZINC000183103302 822424905 /nfs/dbraw/zinc/42/49/05/822424905.db2.gz FLAHIQWESOPJJO-NDEPHWFRSA-N 0 1 395.524 4.341 20 10 GICDMN CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(F)ccc1O ZINC000179885365 822571644 /nfs/dbraw/zinc/57/16/44/822571644.db2.gz YDZZTIFLOXNAAQ-UHFFFAOYSA-N 0 1 384.373 4.399 20 10 GICDMN CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1cc(OC)c(OC)cc1O ZINC000179946552 822583019 /nfs/dbraw/zinc/58/30/19/822583019.db2.gz QZYAHFYNPNGDCI-SFHVURJKSA-N 0 1 381.476 4.116 20 10 GICDMN O=C(c1ccc(F)cc1)N1CCCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000180000351 822593383 /nfs/dbraw/zinc/59/33/83/822593383.db2.gz WZANYLNOKHPMGO-UHFFFAOYSA-N 0 1 395.522 4.164 20 10 GICDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c1[O-] ZINC000180505242 822692620 /nfs/dbraw/zinc/69/26/20/822692620.db2.gz MLOWYTAIRBPHBO-UKRRQHHQSA-N 0 1 382.869 4.103 20 10 GICDMN COc1cc(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])cc(OC)c1OC ZINC000184894926 822709169 /nfs/dbraw/zinc/70/91/69/822709169.db2.gz FIGWXTJTZCSDMS-LLVKDONJSA-N 0 1 396.281 4.031 20 10 GICDMN C[C@H]([NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc2ccccc2c1[O-] ZINC000185710260 822812715 /nfs/dbraw/zinc/81/27/15/822812715.db2.gz ABIJFBVBQWEVQX-GHTZIAJQSA-N 0 1 388.511 4.430 20 10 GICDMN C[C@@H]([NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc2ccccc2c1[O-] ZINC000185710314 822812778 /nfs/dbraw/zinc/81/27/78/822812778.db2.gz ABIJFBVBQWEVQX-NQIIRXRSSA-N 0 1 388.511 4.430 20 10 GICDMN CCCCNC(=O)C1CC[NH+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1 ZINC000054465224 822887478 /nfs/dbraw/zinc/88/74/78/822887478.db2.gz KVJQWYWXOLFBSL-UHFFFAOYSA-N 0 1 384.520 4.146 20 10 GICDMN [O-]c1ccc(Br)cc1C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000123954515 823554869 /nfs/dbraw/zinc/55/48/69/823554869.db2.gz UDKGBEXRFMZMMH-UHFFFAOYSA-N 0 1 390.306 4.006 20 10 GICDMN COc1cc(Br)cc(CNC(C)(C)c2nc(C)c(C)s2)c1O ZINC000124724249 823621123 /nfs/dbraw/zinc/62/11/23/823621123.db2.gz IPAAVFQOAXSIAZ-UHFFFAOYSA-N 0 1 385.327 4.262 20 10 GICDMN CN1CCC(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)CC1 ZINC000063824191 823699688 /nfs/dbraw/zinc/69/96/88/823699688.db2.gz ZMLOEQBSDIQBCR-ZSOIEALJSA-N 0 1 387.357 4.289 20 10 GICDMN CC(C)n1cc([C@@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cn1 ZINC000163413430 823707434 /nfs/dbraw/zinc/70/74/34/823707434.db2.gz WZNWDUABQJIZIH-OAHLLOKOSA-N 0 1 396.457 4.170 20 10 GICDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)NCc3ccc(N(C)C)c(F)c3)[nH]c2c1 ZINC000064229099 823775969 /nfs/dbraw/zinc/77/59/69/823775969.db2.gz LFRPYDGXDPLJLE-FQEVSTJZSA-N 0 1 395.482 4.123 20 10 GICDMN CC[C@H](N[C@H](CCSC)c1nnc2ccccn21)c1ccc(N(C)C)cc1 ZINC000164261817 823790842 /nfs/dbraw/zinc/79/08/42/823790842.db2.gz PFNQFPOFSBHFAX-RBUKOAKNSA-N 0 1 383.565 4.330 20 10 GICDMN COc1ccc(Cl)cc1[C@@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000165194926 823839407 /nfs/dbraw/zinc/83/94/07/823839407.db2.gz QDRUBPNQQBWACX-CQSZACIVSA-N 0 1 378.875 4.175 20 10 GICDMN C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1OC(F)F ZINC000165196736 823839570 /nfs/dbraw/zinc/83/95/70/823839570.db2.gz MOLWKFKMOAGCLI-ZDUSSCGKSA-N 0 1 398.400 4.254 20 10 GICDMN COc1cccc([C@H]2CN(Cc3c(O)ccc4ccc(OC)cc43)CCO2)c1 ZINC000166126695 823870075 /nfs/dbraw/zinc/87/00/75/823870075.db2.gz RRUDQMFEDCGEDW-HSZRJFAPSA-N 0 1 379.456 4.136 20 10 GICDMN Oc1ccccc1CN(Cc1ccco1)C[C@@H](O)COc1ccccc1Cl ZINC000121024975 823104685 /nfs/dbraw/zinc/10/46/85/823104685.db2.gz WJCBRFGGLRAORE-QGZVFWFLSA-N 0 1 387.863 4.081 20 10 GICDMN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(-c2ccncc2)cc1F ZINC000121295113 823157195 /nfs/dbraw/zinc/15/71/95/823157195.db2.gz DXNVEVQSUWBECJ-UHFFFAOYSA-N 0 1 391.490 4.356 20 10 GICDMN Cc1cc(C(=O)NC[C@H](c2cccs2)N(C)C)c(C)n1-c1ccc(F)cc1 ZINC000058075489 823359885 /nfs/dbraw/zinc/35/98/85/823359885.db2.gz ABVGISKPXNGKAD-LJQANCHMSA-N 0 1 385.508 4.327 20 10 GICDMN CC(=O)c1cc(F)cc(CN(Cc2ccccc2)C[C@H](O)c2ccco2)c1O ZINC000177156267 823385739 /nfs/dbraw/zinc/38/57/39/823385739.db2.gz JZBBHBUZUFCXLE-FQEVSTJZSA-N 0 1 383.419 4.063 20 10 GICDMN O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181114437 821641612 /nfs/dbraw/zinc/64/16/12/821641612.db2.gz IGWSHXJPYILVRJ-UHFFFAOYSA-N 0 1 385.418 4.422 20 10 GICDMN C[C@@H](NCc1cn(C)nc1C(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000181581891 821888133 /nfs/dbraw/zinc/88/81/33/821888133.db2.gz GWCWTGVNCAFBMG-CYBMUJFWSA-N 0 1 384.421 4.419 20 10 GICDMN C[C@@H](N[C@H](c1ccccc1)c1ccncc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178705480 822404463 /nfs/dbraw/zinc/40/44/63/822404463.db2.gz QLKNSUORMGMXGI-HOYKHHGWSA-N 0 1 391.490 4.498 20 10 GICDMN C[C@H](N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1ccc(N(C)C)cc1 ZINC000179555332 822502792 /nfs/dbraw/zinc/50/27/92/822502792.db2.gz QLUREMDRUQIIPD-SSKFGXFMSA-N 0 1 387.955 4.129 20 10 GICDMN C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000184853125 822700675 /nfs/dbraw/zinc/70/06/75/822700675.db2.gz YRNBQEDPEUSBJF-OXQOHEQNSA-N 0 1 382.529 4.331 20 10 GICDMN C[C@@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000185086868 822734898 /nfs/dbraw/zinc/73/48/98/822734898.db2.gz QMWUYPFPRSBGIW-QGZVFWFLSA-N 0 1 383.513 4.201 20 10 GICDMN Cc1nc([C@@H](N[C@@H](C)c2ccc(Br)cc2O)c2ccccc2)n[nH]1 ZINC000185324844 822766247 /nfs/dbraw/zinc/76/62/47/822766247.db2.gz HQVOFQZZLRXAOL-GTNSWQLSSA-N 0 1 387.281 4.021 20 10 GICDMN CCN1CCN(c2ccc(CN[C@@H](C)c3csc(C(C)C)n3)cc2F)CC1 ZINC000186328532 822876783 /nfs/dbraw/zinc/87/67/83/822876783.db2.gz IOWWMOCJNJTQSL-INIZCTEOSA-N 0 1 390.572 4.398 20 10 GICDMN C[C@@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1ccc(Br)cc1[O-] ZINC000186351166 822880139 /nfs/dbraw/zinc/88/01/39/822880139.db2.gz STCPUSLHXJNYGL-DAIYRKSASA-N 0 1 391.309 4.031 20 10 GICDMN C[C@@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1cc(Br)ccc1[O-] ZINC000186357956 822881308 /nfs/dbraw/zinc/88/13/08/822881308.db2.gz BCDMYHBDXGEBKC-DAIYRKSASA-N 0 1 391.309 4.031 20 10 GICDMN CC(C)[C@@H](NCc1c(O)ccc(Cl)c1F)c1nc(-c2cccnc2)no1 ZINC000190942495 823627989 /nfs/dbraw/zinc/62/79/89/823627989.db2.gz SSWBMNUJMCRBRD-MRXNPFEDSA-N 0 1 376.819 4.117 20 10 GICDMN COc1cccc(-c2noc([C@H](C)NCc3c(O)ccc4ccccc43)n2)c1 ZINC000191567131 823701086 /nfs/dbraw/zinc/70/10/86/823701086.db2.gz BIMNCEWDXHXOFP-AWEZNQCLSA-N 0 1 375.428 4.455 20 10 GICDMN CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(C)c(C)cc1O ZINC000192476297 824005907 /nfs/dbraw/zinc/00/59/07/824005907.db2.gz CCIUEAYZULYYRS-UHFFFAOYSA-N 0 1 380.410 4.488 20 10 GICDMN CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(N(C)C)cc1 ZINC000007250737 817804464 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VPVHXDRJAHVIRY-CYBMUJFWSA-N 0 1 384.867 4.022 20 10 GICDMN CCCN(Cc1coc(-c2ccc(C(=O)OC)cc2)n1)Cc1ccccc1O ZINC000182203341 822145312 /nfs/dbraw/zinc/14/53/12/822145312.db2.gz HYXBHDYXIMYBFE-UHFFFAOYSA-N 0 1 380.444 4.246 20 10 GICDMN COc1ccc(O)c([C@H](C)NCc2nn(-c3ccc(F)cc3)c3c2CCC3)c1 ZINC000182404161 822231596 /nfs/dbraw/zinc/23/15/96/822231596.db2.gz NUOPWMAVEOJMPD-AWEZNQCLSA-N 0 1 381.451 4.065 20 10 GICDMN CN1CCC(N2C(=O)/C(=C\c3cccc(-c4cccnc4)c3)SC2=S)CC1 ZINC000178352417 822370510 /nfs/dbraw/zinc/37/05/10/822370510.db2.gz RNWPYCSZNJUOJE-CPNJWEJPSA-N 0 1 395.553 4.044 20 10 GICDMN CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(Cl)ccc2[O-])c2ccc(F)cc2C1 ZINC000184515250 822648878 /nfs/dbraw/zinc/64/88/78/822648878.db2.gz KMLQHURVYQXKRQ-CWTRNNRKSA-N 0 1 376.859 4.329 20 10 GICDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000180504233 822692440 /nfs/dbraw/zinc/69/24/40/822692440.db2.gz TWQBBGOUYRJJMQ-ZBFHGGJFSA-N 0 1 382.323 4.304 20 10 GICDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000180504233 822692443 /nfs/dbraw/zinc/69/24/43/822692443.db2.gz TWQBBGOUYRJJMQ-ZBFHGGJFSA-N 0 1 382.323 4.304 20 10 GICDMN COc1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])c(OC)c1OC ZINC000185067350 822731996 /nfs/dbraw/zinc/73/19/96/822731996.db2.gz JJLMVRWOLURYRU-LLVKDONJSA-N 0 1 396.281 4.031 20 10 GICDMN CCC(CC)C(=O)N1CCC([NH2+][C@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000185077815 822733868 /nfs/dbraw/zinc/73/38/68/822733868.db2.gz HTEFDHCLBWOVSK-CYBMUJFWSA-N 0 1 397.357 4.233 20 10 GICDMN Cc1nc([C@H](N[C@@H](C)c2cc(Br)ccc2O)c2ccccc2)n[nH]1 ZINC000185324132 822765980 /nfs/dbraw/zinc/76/59/80/822765980.db2.gz YFMPGNXYXRBNPD-APPDUMDISA-N 0 1 387.281 4.021 20 10 GICDMN Cc1nc([C@H](N[C@H](C)c2ccc(Br)cc2O)c2ccccc2)n[nH]1 ZINC000185324859 822766213 /nfs/dbraw/zinc/76/62/13/822766213.db2.gz HQVOFQZZLRXAOL-PIGZYNQJSA-N 0 1 387.281 4.021 20 10 GICDMN C[C@@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1ccc2ccccc2c1[O-] ZINC000185498700 822791058 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CC[N@@H+](Cc1cc(Br)ccc1[O-])Cc1cc2ccccc2[nH]c1=O ZINC000174423895 822788095 /nfs/dbraw/zinc/78/80/95/822788095.db2.gz BFZCMSKEIDMIJC-UHFFFAOYSA-N 0 1 387.277 4.018 20 10 GICDMN CC[C@](C)(NCc1cc(Br)cc(OC)c1O)c1nc(C)cs1 ZINC000174502865 822797734 /nfs/dbraw/zinc/79/77/34/822797734.db2.gz GKVMMWVIDRVXBW-INIZCTEOSA-N 0 1 385.327 4.343 20 10 GICDMN Cc1cc(NS(=O)(=O)c2ccccc2OC(F)(F)F)c(C)c(C)c1O ZINC000187059972 823005136 /nfs/dbraw/zinc/00/51/36/823005136.db2.gz UWWCDOAQCAMDGO-UHFFFAOYSA-N 0 1 375.368 4.017 20 10 GICDMN Cc1ccc(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)cc1O ZINC000574836078 823837991 /nfs/dbraw/zinc/83/79/91/823837991.db2.gz JETRKNDHKWKRFF-UHFFFAOYSA-N 0 1 377.488 4.061 20 10 GICDMN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1OC(F)(F)F ZINC000165172104 823838047 /nfs/dbraw/zinc/83/80/47/823838047.db2.gz RBGGPCSLWJPEGJ-CQSZACIVSA-N 0 1 398.400 4.412 20 10 GICDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2scnc2C2CC2)C1 ZINC000571723395 823225207 /nfs/dbraw/zinc/22/52/07/823225207.db2.gz TZTFMZOQUHLRLZ-UHFFFAOYSA-N 0 1 394.544 4.380 20 10 GICDMN COc1cc(C)cc(CN2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1O ZINC000181430327 821822981 /nfs/dbraw/zinc/82/29/81/821822981.db2.gz BIDJWIUYBLIBKM-GOSISDBHSA-N 0 1 381.394 4.302 20 10 GICDMN OC1CCN(c2ccc(CN[C@@H]3CCSc4c(F)cccc43)cc2F)CC1 ZINC000178536226 822389221 /nfs/dbraw/zinc/38/92/21/822389221.db2.gz SHQXVZONYVYHBK-LJQANCHMSA-N 0 1 390.499 4.253 20 10 GICDMN C[C@H](N[C@@H](c1ccccc1)c1ccncc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178705444 822404482 /nfs/dbraw/zinc/40/44/82/822404482.db2.gz QLKNSUORMGMXGI-UUOWRZLLSA-N 0 1 391.490 4.498 20 10 GICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000179778840 822551291 /nfs/dbraw/zinc/55/12/91/822551291.db2.gz IAJISVXFTZXVDB-LBPRGKRZSA-N 0 1 377.275 4.121 20 10 GICDMN C[C@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1ccc(Br)cc1[O-] ZINC000186351148 822880156 /nfs/dbraw/zinc/88/01/56/822880156.db2.gz STCPUSLHXJNYGL-ISWZSGDOSA-N 0 1 391.309 4.031 20 10 GICDMN CNC(=O)c1ccc(C[N@H+](C)Cc2c3c(ccc2[O-])oc2c3CCCC2)cc1 ZINC000054443179 822886472 /nfs/dbraw/zinc/88/64/72/822886472.db2.gz NOUVBJSVMQPTKZ-UHFFFAOYSA-N 0 1 378.472 4.009 20 10 GICDMN CNC(=O)c1ccc(C[N@@H+](C)Cc2c3c(ccc2[O-])oc2c3CCCC2)cc1 ZINC000054443179 822886476 /nfs/dbraw/zinc/88/64/76/822886476.db2.gz NOUVBJSVMQPTKZ-UHFFFAOYSA-N 0 1 378.472 4.009 20 10 GICDMN COc1ccc(C(=O)N2CCCC2)cc1N[C@@H](C)c1ccc(F)c(F)c1O ZINC000187894179 823153587 /nfs/dbraw/zinc/15/35/87/823153587.db2.gz LELWHANQUGKFJC-LBPRGKRZSA-N 0 1 376.403 4.088 20 10 GICDMN CCN(Cc1ccccc1)C(=O)CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000057625775 823316343 /nfs/dbraw/zinc/31/63/43/823316343.db2.gz LGRCVUIQQSCXCF-UHFFFAOYSA-N 0 1 379.548 4.157 20 10 GICDMN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCc1ccc(N(C)C)cc1 ZINC000017318040 818509266 /nfs/dbraw/zinc/50/92/66/818509266.db2.gz ZSIJCIYMEQULRG-UHFFFAOYSA-N 0 1 386.902 4.388 20 10 GICDMN CO[C@H](c1noc(Cn2c3ccccc3c3c2CCN(C(C)C)C3)n1)C(C)C ZINC000572863909 823410866 /nfs/dbraw/zinc/41/08/66/823410866.db2.gz KOWNUYUCZVMZAC-NRFANRHFSA-N 0 1 382.508 4.183 20 10 GICDMN Cc1ccc([C@H](NCc2cccc(C)c2O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000181348228 821777524 /nfs/dbraw/zinc/77/75/24/821777524.db2.gz ZVXGCZCINYFTGT-QFIPXVFZSA-N 0 1 395.524 4.292 20 10 GICDMN Cn1cc(CN(Cc2ccco2)Cc2ccccc2O)c(-c2ccc(C#N)cc2)n1 ZINC000183244350 822447573 /nfs/dbraw/zinc/44/75/73/822447573.db2.gz GSFSEIFYOUWPCB-UHFFFAOYSA-N 0 1 398.466 4.460 20 10 GICDMN C[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000185109448 822738301 /nfs/dbraw/zinc/73/83/01/822738301.db2.gz QBOGNLTVLYPEQD-HZPDHXFCSA-N 0 1 398.528 4.208 20 10 GICDMN COc1ccc2nc(CN(Cc3ccccc3O)C[C@@H]3CCCO3)sc2c1 ZINC000187243881 823029725 /nfs/dbraw/zinc/02/97/25/823029725.db2.gz BYOORCSEASOGQY-KRWDZBQOSA-N 0 1 384.501 4.192 20 10 GICDMN [O-]c1ccc(Br)cc1C[NH2+]C1(c2ccc(F)cc2F)CCOCC1 ZINC000124715166 823620315 /nfs/dbraw/zinc/62/03/15/823620315.db2.gz VETNSNHNOKZWTL-UHFFFAOYSA-N 0 1 398.247 4.228 20 10 GICDMN O=C(Nc1ccccc1)C1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000120810095 823068707 /nfs/dbraw/zinc/06/87/07/823068707.db2.gz GVEIZNKGGRORTQ-UHFFFAOYSA-N 0 1 389.293 4.005 20 10 GICDMN COc1cc(Br)cc(CN2CCC(OCCC(C)C)CC2)c1O ZINC000121605767 823214827 /nfs/dbraw/zinc/21/48/27/823214827.db2.gz BPIYYJRILXRTSB-UHFFFAOYSA-N 0 1 386.330 4.190 20 10 GICDMN COC(=O)c1cccc(-c2nc(CN[C@@H](C)c3cc(OC)ccc3O)cs2)c1 ZINC000182435138 822241604 /nfs/dbraw/zinc/24/16/04/822241604.db2.gz KWMGVOHOGVWYAB-ZDUSSCGKSA-N 0 1 398.484 4.162 20 10 GICDMN O=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000178850997 822416245 /nfs/dbraw/zinc/41/62/45/822416245.db2.gz VNXJLWWHIOZYSQ-UHFFFAOYSA-N 0 1 376.456 4.080 20 10 GICDMN Cc1nn(-c2ccccc2)cc1CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000183203087 822440838 /nfs/dbraw/zinc/44/08/38/822440838.db2.gz JOPRYYNUCVXWCG-KRWDZBQOSA-N 0 1 394.494 4.007 20 10 GICDMN O=C(c1ccccc1F)N1CCCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000180002055 822593617 /nfs/dbraw/zinc/59/36/17/822593617.db2.gz XSYMBMNSDMHVBG-UHFFFAOYSA-N 0 1 395.522 4.164 20 10 GICDMN C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2ccccc2c1[O-] ZINC000185118346 822739316 /nfs/dbraw/zinc/73/93/16/822739316.db2.gz KXYBGCIAICXNBP-MRXNPFEDSA-N 0 1 394.490 4.496 20 10 GICDMN CC(C)c1nc2n(n1)CCC[C@@H]2N[C@H](C)c1cc(Br)ccc1O ZINC000185683553 822809760 /nfs/dbraw/zinc/80/97/60/822809760.db2.gz QJGDCCHGZMOBDU-RISCZKNCSA-N 0 1 379.302 4.055 20 10 GICDMN C[C@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1ccc2ccccc2c1[O-] ZINC000186078747 822849694 /nfs/dbraw/zinc/84/96/94/822849694.db2.gz AKXSNAUAVAHRIV-INIZCTEOSA-N 0 1 376.456 4.012 20 10 GICDMN CCOc1ccccc1Oc1ccc(CNCc2ccc3c(c2)CCO3)cn1 ZINC000054175826 822866144 /nfs/dbraw/zinc/86/61/44/822866144.db2.gz GWDMPLWEQAVPQO-UHFFFAOYSA-N 0 1 376.456 4.497 20 10 GICDMN Cc1cc(Br)cc([C@H](C)N[C@@H]2CCCn3nc(C(C)C)nc32)c1O ZINC000187294034 823038199 /nfs/dbraw/zinc/03/81/99/823038199.db2.gz LILDYBWMJZAWDR-SWLSCSKDSA-N 0 1 393.329 4.364 20 10 GICDMN COc1ccccc1[C@@H](C)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000163400132 823706540 /nfs/dbraw/zinc/70/65/40/823706540.db2.gz JVGCTHXZJLSQEH-OAHLLOKOSA-N 0 1 394.437 4.401 20 10 GICDMN CCN(C)c1ccc([C@H](C)N[C@@H](CCSC)c2nnc3ccccn32)cc1 ZINC000164216148 823786455 /nfs/dbraw/zinc/78/64/55/823786455.db2.gz CAJBJFLLERRUHN-LPHOPBHVSA-N 0 1 383.565 4.330 20 10 GICDMN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1OC(F)F ZINC000165196855 823839467 /nfs/dbraw/zinc/83/94/67/823839467.db2.gz MOLWKFKMOAGCLI-CYBMUJFWSA-N 0 1 398.400 4.254 20 10 GICDMN CN(Cc1ccccc1O)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000126366707 823849914 /nfs/dbraw/zinc/84/99/14/823849914.db2.gz IEFNNCQFDFYUDX-LJQANCHMSA-N 0 1 387.911 4.024 20 10 GICDMN Fc1cc(CN[C@@H]2CC3(CCC3)Oc3ccccc32)ccc1N1CCOCC1 ZINC000176636344 823254353 /nfs/dbraw/zinc/25/43/53/823254353.db2.gz MDEBFHFMAGOVPO-HXUWFJFHSA-N 0 1 382.479 4.198 20 10 GICDMN Cc1ccc([C@H](NCc2cc(F)ccc2O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000180925375 821541725 /nfs/dbraw/zinc/54/17/25/821541725.db2.gz QGIPIMFKGOWAOA-QFIPXVFZSA-N 0 1 399.487 4.122 20 10 GICDMN C[C@@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1cc(Br)ccc1[O-] ZINC000181010111 821591137 /nfs/dbraw/zinc/59/11/37/821591137.db2.gz OFUFBVVOGXWBFI-CYBMUJFWSA-N 0 1 376.298 4.001 20 10 GICDMN COc1cccc2cc([C@H](C)NCc3ccc(N4CCC(O)CC4)c(F)c3)oc21 ZINC000181563232 821882764 /nfs/dbraw/zinc/88/27/64/821882764.db2.gz TZYZVFQFLLTGEM-HNNXBMFYSA-N 0 1 398.478 4.392 20 10 GICDMN COc1ccc(O)c([C@@H](C)NCc2cc(OC)c(OC)cc2Br)c1 ZINC000182409113 822232923 /nfs/dbraw/zinc/23/29/23/822232923.db2.gz VQATYHXJKZQAAT-LLVKDONJSA-N 0 1 396.281 4.031 20 10 GICDMN COc1cc(F)c([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1OC ZINC000178666042 822401161 /nfs/dbraw/zinc/40/11/61/822401161.db2.gz WPHFWBVEDDIYHF-HZPDHXFCSA-N 0 1 388.483 4.091 20 10 GICDMN COc1cc(Br)c(CN[C@@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000180543724 822699484 /nfs/dbraw/zinc/69/94/84/822699484.db2.gz RIZNINCBQXNMSP-ZDUSSCGKSA-N 0 1 393.325 4.383 20 10 GICDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2c(O)cccc2Cl)C1 ZINC000569940929 822988134 /nfs/dbraw/zinc/98/81/34/822988134.db2.gz OHEJOEPZJCAYSP-UHFFFAOYSA-N 0 1 397.906 4.406 20 10 GICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000124159041 823573105 /nfs/dbraw/zinc/57/31/05/823573105.db2.gz PFPULGVATQLCTD-CYBMUJFWSA-N 0 1 395.334 4.397 20 10 GICDMN CN1CCC(N2C(=O)/C(=C/c3cccc(C(F)(F)F)c3)SC2=S)CC1 ZINC000063824449 823699734 /nfs/dbraw/zinc/69/97/34/823699734.db2.gz HBLUNWYDJHHEDS-UVTDQMKNSA-N 0 1 386.464 4.001 20 10 GICDMN CCCS(=O)(=O)Nc1cccc(N[C@@H](C)c2ccc(F)c(F)c2O)c1C ZINC000187893234 823153537 /nfs/dbraw/zinc/15/35/37/823153537.db2.gz BJWFMRWUPCLNBU-LBPRGKRZSA-N 0 1 384.448 4.304 20 10 GICDMN C[C@@H](c1ccccc1)N(Cc1cc(=O)n2ccsc2n1)Cc1ccccc1O ZINC000176679276 823265725 /nfs/dbraw/zinc/26/57/25/823265725.db2.gz NOPHOWYXGOUCEB-INIZCTEOSA-N 0 1 391.496 4.225 20 10 GICDMN COc1cccc(OC)c1OC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000122094756 823305530 /nfs/dbraw/zinc/30/55/30/823305530.db2.gz KGJZGUQUKJFDBM-UHFFFAOYSA-N 0 1 377.868 4.106 20 10 GICDMN Cc1ccc(NCc2cc(Cl)cc(Cl)c2O)c(OCC(=O)N(C)C)c1 ZINC000122575189 823375532 /nfs/dbraw/zinc/37/55/32/823375532.db2.gz RAJOBCLFUHLJMI-UHFFFAOYSA-N 0 1 383.275 4.087 20 10 GICDMN C[C@H](NCc1ccc2c(c1)CCCN2C)c1ccc(-n2cncn2)cc1Cl ZINC000122941379 823436985 /nfs/dbraw/zinc/43/69/85/823436985.db2.gz VIRHSJFKAOCTHN-HNNXBMFYSA-N 0 1 381.911 4.154 20 10 GICDMN C[C@H](NCc1ccc(OC(C)(C)C)nc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000181350897 821779537 /nfs/dbraw/zinc/77/95/37/821779537.db2.gz ZGQCXEIQIXBEMW-INIZCTEOSA-N 0 1 387.499 4.085 20 10 GICDMN COc1ccc(O)c([C@H](C)NCc2cc(OC)c(OC)cc2Br)c1 ZINC000182409096 822233041 /nfs/dbraw/zinc/23/30/41/822233041.db2.gz VQATYHXJKZQAAT-NSHDSACASA-N 0 1 396.281 4.031 20 10 GICDMN Cc1nc(C(F)(F)F)c(CN(Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000183611607 822501263 /nfs/dbraw/zinc/50/12/63/822501263.db2.gz BISNNMQDNZNDQA-AWEZNQCLSA-N 0 1 386.439 4.357 20 10 GICDMN C[C@H](N[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1ccc(N(C)C)cc1 ZINC000179555351 822502845 /nfs/dbraw/zinc/50/28/45/822502845.db2.gz QLUREMDRUQIIPD-WQTXXOFMSA-N 0 1 387.955 4.129 20 10 GICDMN CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000179739523 822539875 /nfs/dbraw/zinc/53/98/75/822539875.db2.gz ZCWATKIBFDXBIE-LLVKDONJSA-N 0 1 375.296 4.046 20 10 GICDMN CCn1c2ccccc2nc1[C@H]1CCCN1Cc1cc(OC)c(OC)cc1O ZINC000179946571 822583074 /nfs/dbraw/zinc/58/30/74/822583074.db2.gz QZYAHFYNPNGDCI-GOSISDBHSA-N 0 1 381.476 4.116 20 10 GICDMN C[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccc(Br)cc1[O-] ZINC000184984397 822721791 /nfs/dbraw/zinc/72/17/91/822721791.db2.gz AWXBMZDNUYPMBK-CYBMUJFWSA-N 0 1 376.298 4.001 20 10 GICDMN C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000185109396 822738207 /nfs/dbraw/zinc/73/82/07/822738207.db2.gz QBOGNLTVLYPEQD-HOTGVXAUSA-N 0 1 398.528 4.208 20 10 GICDMN Cc1nc([C@H](N[C@H](C)c2cc(Br)ccc2O)c2ccccc2)n[nH]1 ZINC000185324164 822766003 /nfs/dbraw/zinc/76/60/03/822766003.db2.gz YFMPGNXYXRBNPD-PIGZYNQJSA-N 0 1 387.281 4.021 20 10 GICDMN COc1ccc(N2CCCN(Cc3ncc(-c4cccc(F)c4)o3)CC2)cc1 ZINC000175113177 822884595 /nfs/dbraw/zinc/88/45/95/822884595.db2.gz GJPYCLUAWYOPTI-UHFFFAOYSA-N 0 1 381.451 4.202 20 10 GICDMN CO[C@](C)(c1noc(Cn2c3ccccc3c3c2CCN(C(C)C)C3)n1)C1CC1 ZINC000570251289 823019439 /nfs/dbraw/zinc/01/94/39/823019439.db2.gz NFKNBFLRSGRTBR-QHCPKHFHSA-N 0 1 394.519 4.111 20 10 GICDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC(C)(C)[C@H]2C2CC2)C1 ZINC000460973538 823553697 /nfs/dbraw/zinc/55/36/97/823553697.db2.gz MXUVHFSJBCNNCF-HSZRJFAPSA-N 0 1 379.548 4.055 20 10 GICDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC3(CCC3)[C@H]2C2CC2)C1 ZINC000460980310 823555186 /nfs/dbraw/zinc/55/51/86/823555186.db2.gz OAUSBKARZKVKGL-XMMPIXPASA-N 0 1 391.559 4.199 20 10 GICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000124158822 823573033 /nfs/dbraw/zinc/57/30/33/823573033.db2.gz PFPULGVATQLCTD-ZDUSSCGKSA-N 0 1 395.334 4.397 20 10 GICDMN Fc1cc(CN[C@@H]2CCCOc3c(Cl)cccc32)ccc1N1CCOCC1 ZINC000165175046 823837998 /nfs/dbraw/zinc/83/79/98/823837998.db2.gz BMZMUUYTAZNNKV-LJQANCHMSA-N 0 1 390.886 4.319 20 10 GICDMN C[C@H](NCc1ccccc1Br)c1ccc(N2CCOCC2)c(F)c1 ZINC000120955029 823092194 /nfs/dbraw/zinc/09/21/94/823092194.db2.gz GRRYNFOILHHDMJ-AWEZNQCLSA-N 0 1 393.300 4.276 20 10 GICDMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000033285018 821055086 /nfs/dbraw/zinc/05/50/86/821055086.db2.gz UXHWRLDRMVQTIP-ATVHPVEESA-N 0 1 398.340 4.427 20 10 GICDMN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1nnc2ccccc2c1O ZINC000181584680 821890071 /nfs/dbraw/zinc/89/00/71/821890071.db2.gz AKNMEMKAPDBRAX-INIZCTEOSA-N 0 1 399.450 4.032 20 10 GICDMN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000181731003 821965558 /nfs/dbraw/zinc/96/55/58/821965558.db2.gz OEHLXZHERZKNFV-UHFFFAOYSA-N 0 1 379.526 4.094 20 10 GICDMN COc1ccc(O)c([C@H](C)NCc2csc(-c3ccc4c(c3)OCO4)n2)c1 ZINC000182368603 822217650 /nfs/dbraw/zinc/21/76/50/822217650.db2.gz QKXNYYKSYRETMA-LBPRGKRZSA-N 0 1 384.457 4.104 20 10 GICDMN C[C@H](N[C@@H]1CCOc2c(Cl)cccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000177951275 822254769 /nfs/dbraw/zinc/25/47/69/822254769.db2.gz CEHZRVNMKJKTBV-IFXJQAMLSA-N 0 1 390.886 4.490 20 10 GICDMN CN1CCC(N2C(=O)/C(=C\c3ccc(C(C)(C)C)s3)SC2=S)CC1 ZINC000178995235 822427491 /nfs/dbraw/zinc/42/74/91/822427491.db2.gz QRGMEHCQFNAMJN-SDNWHVSQSA-N 0 1 380.604 4.341 20 10 GICDMN O=C(c1ccccc1)N1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000179482782 822489331 /nfs/dbraw/zinc/48/93/31/822489331.db2.gz WLPANTRPCZWILD-UHFFFAOYSA-N 0 1 379.287 4.047 20 10 GICDMN O=C(c1ccccc1)N1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000179482782 822489333 /nfs/dbraw/zinc/48/93/33/822489333.db2.gz WLPANTRPCZWILD-UHFFFAOYSA-N 0 1 379.287 4.047 20 10 GICDMN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1cccc(OCC)c1O ZINC000179610597 822512407 /nfs/dbraw/zinc/51/24/07/822512407.db2.gz WIVMCVKHMCVICI-UHFFFAOYSA-N 0 1 396.409 4.059 20 10 GICDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000179778824 822551064 /nfs/dbraw/zinc/55/10/64/822551064.db2.gz IAJISVXFTZXVDB-GFCCVEGCSA-N 0 1 377.275 4.121 20 10 GICDMN C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccc(OCC(=O)NC2CC2)cc1 ZINC000185058255 822730575 /nfs/dbraw/zinc/73/05/75/822730575.db2.gz OPMBDDRGOJSKIJ-KBPBESRZSA-N 0 1 388.895 4.115 20 10 GICDMN COc1ccc(CC[NH2+][C@H](C)c2ccc3ccccc3c2[O-])c(OC)c1OC ZINC000185327277 822766536 /nfs/dbraw/zinc/76/65/36/822766536.db2.gz MDXWNKAZOUWCPS-OAHLLOKOSA-N 0 1 381.472 4.465 20 10 GICDMN C[C@H](N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1O ZINC000185593799 822800203 /nfs/dbraw/zinc/80/02/03/822800203.db2.gz IJFBJRCSDGHFPI-NYHFZMIOSA-N 0 1 399.487 4.375 20 10 GICDMN CN1CCC(N2C(=O)/C(=C/c3ccc(C(F)(F)F)cc3)SC2=S)CC1 ZINC000063824420 823699768 /nfs/dbraw/zinc/69/97/68/823699768.db2.gz AUOFJILEXFKONY-UVTDQMKNSA-N 0 1 386.464 4.001 20 10 GICDMN COc1ccc(F)cc1[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000163339800 823702580 /nfs/dbraw/zinc/70/25/80/823702580.db2.gz UQUJPQYZOYBHIQ-GJZGRUSLSA-N 0 1 376.447 4.222 20 10 GICDMN COc1cc(C)cc(CN2CCO[C@@H](c3ccc(Br)cc3)C2)c1O ZINC000164204486 823786068 /nfs/dbraw/zinc/78/60/68/823786068.db2.gz TYTLROMMHYRVHZ-GOSISDBHSA-N 0 1 392.293 4.045 20 10 GICDMN CN(Cc1ccccc1O)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000126366467 823849555 /nfs/dbraw/zinc/84/95/55/823849555.db2.gz IEFNNCQFDFYUDX-IBGZPJMESA-N 0 1 387.911 4.024 20 10 GICDMN CCCN(Cc1nnc(-c2ccc(Br)o2)o1)Cc1ccccc1O ZINC000170779303 823969622 /nfs/dbraw/zinc/96/96/22/823969622.db2.gz YQMFLBNMRVVEHF-UHFFFAOYSA-N 0 1 392.253 4.210 20 10 GICDMN CC(=O)c1cc(F)cc(CN(Cc2ccccc2)C[C@@H](O)c2ccco2)c1O ZINC000177156284 823385706 /nfs/dbraw/zinc/38/57/06/823385706.db2.gz JZBBHBUZUFCXLE-HXUWFJFHSA-N 0 1 383.419 4.063 20 10 GICDMN CS(=O)(=O)Nc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1Cl ZINC000122751476 823405688 /nfs/dbraw/zinc/40/56/88/823405688.db2.gz YIBQHKVQZCIJOY-UHFFFAOYSA-N 0 1 395.695 4.336 20 10 GICDMN COc1ccc(N2CCC(N[C@H](c3nccs3)c3ccccc3)CC2)cc1 ZINC000123212503 823479678 /nfs/dbraw/zinc/47/96/78/823479678.db2.gz FJWKSBRZQNIHMZ-NRFANRHFSA-N 0 1 379.529 4.500 20 10 GICDMN COc1ccc(O)c([C@H](C)NCc2csc(-c3ccc(O)c(OC)c3)n2)c1 ZINC000182440797 822244145 /nfs/dbraw/zinc/24/41/45/822244145.db2.gz FFDIYUOLKCDREE-LBPRGKRZSA-N 0 1 386.473 4.089 20 10 GICDMN C[C@@H](N[C@@H](c1ccccc1)c1ccncc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178705458 822404503 /nfs/dbraw/zinc/40/45/03/822404503.db2.gz QLKNSUORMGMXGI-KOSHJBKYSA-N 0 1 391.490 4.498 20 10 GICDMN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000179348868 822469116 /nfs/dbraw/zinc/46/91/16/822469116.db2.gz GVNUDZAOJIBSNB-LJQANCHMSA-N 0 1 389.503 4.109 20 10 GICDMN CSCC[C@@H](N[C@H](C)c1cc(Cl)ccc1O)c1nnc2ccccn21 ZINC000184907644 822711246 /nfs/dbraw/zinc/71/12/46/822711246.db2.gz XHBPKFLUTZSJJA-IUODEOHRSA-N 0 1 376.913 4.233 20 10 GICDMN CSCC[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])c1nnc2ccccn21 ZINC000184907644 822711249 /nfs/dbraw/zinc/71/12/49/822711249.db2.gz XHBPKFLUTZSJJA-IUODEOHRSA-N 0 1 376.913 4.233 20 10 GICDMN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])c1ccc(OCC(=O)NC2CC2)cc1 ZINC000185058270 822730526 /nfs/dbraw/zinc/73/05/26/822730526.db2.gz OPMBDDRGOJSKIJ-KGLIPLIRSA-N 0 1 388.895 4.115 20 10 GICDMN C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc2ccccc2c1[O-] ZINC000185710278 822812797 /nfs/dbraw/zinc/81/27/97/822812797.db2.gz ABIJFBVBQWEVQX-WIYYLYMNSA-N 0 1 388.511 4.430 20 10 GICDMN [O-]c1ccc2cc(Br)ccc2c1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000054495173 822890544 /nfs/dbraw/zinc/89/05/44/822890544.db2.gz IVFKDWDJIJHJFO-CYBMUJFWSA-N 0 1 376.294 4.309 20 10 GICDMN [O-]c1ccc2cc(Br)ccc2c1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000054495173 822890546 /nfs/dbraw/zinc/89/05/46/822890546.db2.gz IVFKDWDJIJHJFO-CYBMUJFWSA-N 0 1 376.294 4.309 20 10 GICDMN Cc1ccc(/C=C2\SC(=S)N(C3CCN(Cc4ccccc4)CC3)C2=O)o1 ZINC000063823798 823699674 /nfs/dbraw/zinc/69/96/74/823699674.db2.gz QJDHLAKCCCDEEK-UYRXBGFRSA-N 0 1 398.553 4.454 20 10 GICDMN COc1cc(CN(C)Cc2ccc([S@@](C)=O)cc2)c(O)c(C(C)(C)C)c1 ZINC000164462173 823803924 /nfs/dbraw/zinc/80/39/24/823803924.db2.gz FIZAWTADBSZOEF-SANMLTNESA-N 0 1 375.534 4.068 20 10 GICDMN Cc1ccc(OC(F)F)c([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000165171552 823837951 /nfs/dbraw/zinc/83/79/51/823837951.db2.gz YCHUQLJDGZIRRJ-OAHLLOKOSA-N 0 1 394.437 4.423 20 10 GICDMN CN(Cc1ccc(CSC(F)F)o1)Cc1ccc(N2CCOCC2)cc1 ZINC000121319464 823162770 /nfs/dbraw/zinc/16/27/70/823162770.db2.gz ITKIPILPLXCOMN-UHFFFAOYSA-N 0 1 382.476 4.204 20 10 GICDMN O=C(C=Cc1ccc(O)c(O)c1)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 ZINC000180679806 821393553 /nfs/dbraw/zinc/39/35/53/821393553.db2.gz XLDYVNUPAQLSDR-ACCUITESSA-N 0 1 398.422 4.202 20 10 GICDMN CCn1c2ccccc2nc1[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000180994126 821581872 /nfs/dbraw/zinc/58/18/72/821581872.db2.gz UIDWRXLEUDCZGS-IAGOWNOFSA-N 0 1 396.510 4.444 20 10 GICDMN Cc1ccc([C@@H](NCc2cccc(C)c2O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000181348248 821777788 /nfs/dbraw/zinc/77/77/88/821777788.db2.gz ZVXGCZCINYFTGT-JOCHJYFZSA-N 0 1 395.524 4.292 20 10 GICDMN COc1ccc(OC)c([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000178356043 822370681 /nfs/dbraw/zinc/37/06/81/822370681.db2.gz WEKQLXVMGWSMNE-CVEARBPZSA-N 0 1 388.483 4.091 20 10 GICDMN C[C@@H](N[C@H](c1ccccc1)c1cccnc1)c1ccc(N2CCC(O)CC2)cc1 ZINC000178606941 822395925 /nfs/dbraw/zinc/39/59/25/822395925.db2.gz OOWHMJGJLKYRJQ-KBMIEXCESA-N 0 1 387.527 4.483 20 10 GICDMN Oc1ccccc1CN(Cc1c(C2CC2)nc2sccn12)C[C@H]1CCCO1 ZINC000183512920 822488320 /nfs/dbraw/zinc/48/83/20/822488320.db2.gz YNTSTEKRLZNUJB-QGZVFWFLSA-N 0 1 383.517 4.160 20 10 GICDMN C[C@@H](N[C@H]1CCCOc2cc(F)ccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000179968207 822587383 /nfs/dbraw/zinc/58/73/83/822587383.db2.gz ZWUYQIRROFDYMX-QRWLVFNGSA-N 0 1 388.458 4.366 20 10 GICDMN COc1cc(Br)c(CN[C@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000180543741 822699504 /nfs/dbraw/zinc/69/95/04/822699504.db2.gz RIZNINCBQXNMSP-CYBMUJFWSA-N 0 1 393.325 4.383 20 10 GICDMN CSCC[C@H](N[C@H](C)c1cc(Cl)ccc1O)c1nnc2ccccn21 ZINC000184907606 822711287 /nfs/dbraw/zinc/71/12/87/822711287.db2.gz XHBPKFLUTZSJJA-DOMZBBRYSA-N 0 1 376.913 4.233 20 10 GICDMN CSCC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1[O-])c1nnc2ccccn21 ZINC000184907606 822711291 /nfs/dbraw/zinc/71/12/91/822711291.db2.gz XHBPKFLUTZSJJA-DOMZBBRYSA-N 0 1 376.913 4.233 20 10 GICDMN COc1ccc(CC[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])c(OC)c1OC ZINC000185327257 822766462 /nfs/dbraw/zinc/76/64/62/822766462.db2.gz MDXWNKAZOUWCPS-HNNXBMFYSA-N 0 1 381.472 4.465 20 10 GICDMN CN(C)c1ccc(CN[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174631640 822814885 /nfs/dbraw/zinc/81/48/85/822814885.db2.gz JMRUFZCLXYRRBI-HSZRJFAPSA-N 0 1 394.540 4.035 20 10 GICDMN COc1ccc(F)cc1[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000163340044 823702475 /nfs/dbraw/zinc/70/24/75/823702475.db2.gz UQUJPQYZOYBHIQ-LSDHHAIUSA-N 0 1 376.447 4.222 20 10 GICDMN COc1cc(CN2CCCN(C(=O)c3ccccc3)CC2)c(O)c(C(C)(C)C)c1 ZINC000163910028 823759737 /nfs/dbraw/zinc/75/97/37/823759737.db2.gz UMEQHLPMUPGRLH-UHFFFAOYSA-N 0 1 396.531 4.046 20 10 GICDMN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1F ZINC000126136285 823796684 /nfs/dbraw/zinc/79/66/84/823796684.db2.gz ZPOWKJZWPKPOHV-AWEZNQCLSA-N 0 1 393.300 4.276 20 10 GICDMN Cc1ccc(OC(F)F)c(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000168624656 823904968 /nfs/dbraw/zinc/90/49/68/823904968.db2.gz FATACJMVSVEQAQ-OAHLLOKOSA-N 0 1 394.437 4.423 20 10 GICDMN Cc1ccc(OC(F)F)c(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000168624545 823905063 /nfs/dbraw/zinc/90/50/63/823905063.db2.gz FATACJMVSVEQAQ-HNNXBMFYSA-N 0 1 394.437 4.423 20 10 GICDMN Cc1ncc([C@@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 ZINC000127072748 824011519 /nfs/dbraw/zinc/01/15/19/824011519.db2.gz HERYAYBKXLQEQM-GFCCVEGCSA-N 0 1 385.455 4.158 20 10 GICDMN