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@](O)(C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])c1cccs1 ZINC000183157699 1125762110 /nfs/dbraw/zinc/76/21/10/1125762110.db2.gz GHLSGBBYRGSIJU-NRFANRHFSA-N 0 3 369.486 4.030 20 10 FICDHN C[C@@H](N[C@H]1CCc2cc(F)ccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000178089999 1084669046 /nfs/dbraw/zinc/66/90/46/1084669046.db2.gz UFDVYDCRTSVANT-VLIAUNLRSA-N 0 3 358.432 4.140 20 10 FICDHN CC[C@H](NCc1ccc(OC)c(OC)c1O)c1ccccc1OC(F)F ZINC000892561716 1084837973 /nfs/dbraw/zinc/83/79/73/1084837973.db2.gz RQGFZZLRQJMHJI-AWEZNQCLSA-N 0 3 367.392 4.252 20 10 FICDHN CC[C@@H](NCc1ccc(OC)c(OC)c1OC)c1ccc(N(C)C)cc1 ZINC000164561984 1085882964 /nfs/dbraw/zinc/88/29/64/1085882964.db2.gz NSSPMLNCFIDTJA-GOSISDBHSA-N 0 3 358.482 4.019 20 10 FICDHN COc1ccc(C[C@@H]([NH2+]Cc2ccccc2[O-])c2ccccc2)cc1OC ZINC000066995897 1086865480 /nfs/dbraw/zinc/86/54/80/1086865480.db2.gz XKBRCBHDRLMKPN-HXUWFJFHSA-N 0 3 363.457 4.483 20 10 FICDHN COc1ccc(C[C@H]([NH2+]Cc2ccccc2[O-])c2ccccc2)cc1OC ZINC000066995896 1086866393 /nfs/dbraw/zinc/86/63/93/1086866393.db2.gz XKBRCBHDRLMKPN-FQEVSTJZSA-N 0 3 363.457 4.483 20 10 FICDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000311298390 1091301179 /nfs/dbraw/zinc/30/11/79/1091301179.db2.gz IGMGRAOYQLWIJG-YESZJQIVSA-N 0 3 362.514 4.387 20 10 FICDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000311305404 1091516316 /nfs/dbraw/zinc/51/63/16/1091516316.db2.gz PSCUNSGBUYIDMR-IIBYNOLFSA-N 0 3 362.514 4.388 20 10 FICDHN COc1ccc(O)c([C@@H](C)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000279602468 1091937838 /nfs/dbraw/zinc/93/78/38/1091937838.db2.gz WKXFPHPGQSQWQF-SNVBAGLBSA-N 0 3 370.327 4.179 20 10 FICDHN CC[C@H]([NH2+]Cc1ccccc1CN1CCCC1=O)c1ccc(C)cc1[O-] ZINC000279973954 1093980714 /nfs/dbraw/zinc/98/07/14/1093980714.db2.gz DESJCLXISYROTI-FQEVSTJZSA-N 0 3 352.478 4.064 20 10 FICDHN CCN(Cc1ccccc1)c1ccc(CNCc2cccc(C(N)=O)c2)cc1 ZINC000028926568 1104454637 /nfs/dbraw/zinc/45/46/37/1104454637.db2.gz YNAMIYIGPDYWIF-UHFFFAOYSA-N 0 3 373.500 4.102 20 10 FICDHN Oc1ccccc1CN(Cc1ccco1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000111232808 1112890168 /nfs/dbraw/zinc/89/01/68/1112890168.db2.gz ZSZUJNJXKUDNDG-HXUWFJFHSA-N 0 3 357.837 4.374 20 10 FICDHN CSc1cc(Br)ccc1CNCc1ccc2c(c1)CCO2 ZINC001649009536 1113881871 /nfs/dbraw/zinc/88/18/71/1113881871.db2.gz CNBPMEWLBVKZMW-UHFFFAOYSA-N 0 3 364.308 4.396 20 10 FICDHN CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1)c1ccccc1[O-] ZINC000155875971 1113927876 /nfs/dbraw/zinc/92/78/76/1113927876.db2.gz GCWSFTPOLLYZGP-ZBFHGGJFSA-N 0 3 362.420 4.313 20 10 FICDHN CC[C@H]([NH2+]Cc1ccc(C)cc1OC[C@H]1CCOC1)c1ccccc1[O-] ZINC000156309636 1114382996 /nfs/dbraw/zinc/38/29/96/1114382996.db2.gz DIQYFMXRPJUTPI-PXNSSMCTSA-N 0 3 355.478 4.357 20 10 FICDHN Cc1ccc(O)c([C@@H](C)NCc2cn3cc(Br)cc(C)c3n2)c1 ZINC000760882695 1115121186 /nfs/dbraw/zinc/12/11/86/1115121186.db2.gz ZENYLFRVGAHRTC-CYBMUJFWSA-N 0 3 374.282 4.270 20 10 FICDHN COc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)c1[O-] ZINC000761195839 1115615989 /nfs/dbraw/zinc/61/59/89/1115615989.db2.gz PWXIHBCUWLRRFZ-PKOBYXMFSA-N 0 3 361.869 4.142 20 10 FICDHN COc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)c1[O-] ZINC000761195839 1115615990 /nfs/dbraw/zinc/61/59/90/1115615990.db2.gz PWXIHBCUWLRRFZ-PKOBYXMFSA-N 0 3 361.869 4.142 20 10 FICDHN OC1CCN(c2ccc(CN[C@H]3CCc4ccc(Cl)cc43)cc2F)CC1 ZINC000763396509 1121571960 /nfs/dbraw/zinc/57/19/60/1121571960.db2.gz UZZVWFLOPMJJTJ-FQEVSTJZSA-N 0 3 374.887 4.217 20 10 FICDHN OC1CCN(c2ccc(CN[C@@H]3CCc4ccc(Cl)cc43)cc2F)CC1 ZINC000763397062 1121571972 /nfs/dbraw/zinc/57/19/72/1121571972.db2.gz UZZVWFLOPMJJTJ-HXUWFJFHSA-N 0 3 374.887 4.217 20 10 FICDHN Oc1cc2c(cc1CN(Cc1ccccc1C(F)(F)F)C1CC1)OCO2 ZINC000917473528 1122321323 /nfs/dbraw/zinc/32/13/23/1122321323.db2.gz DAHDVRCAWVXGIP-UHFFFAOYSA-N 0 3 365.351 4.304 20 10 FICDHN Cc1cc(O)c(CN2CCCN(C(=O)c3ccsc3)CC2)cc1C(C)C ZINC000917487655 1122332771 /nfs/dbraw/zinc/33/27/71/1122332771.db2.gz JORGTNZUEYTIEW-UHFFFAOYSA-N 0 3 372.534 4.234 20 10 FICDHN COc1ccc([C@@H](CCO)[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cc1 ZINC000763495306 1124937351 /nfs/dbraw/zinc/93/73/51/1124937351.db2.gz BWMXMZAYXROLBI-JOCHJYFZSA-N 0 3 363.457 4.281 20 10 FICDHN CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3cccc(C(C)(C)C)c3O)C[C@@H]21 ZINC001143104226 1125265172 /nfs/dbraw/zinc/26/51/72/1125265172.db2.gz QYJXYHRGVJRLBM-YJBOKZPZSA-N 0 3 374.525 4.131 20 10 FICDHN [O-]c1ccccc1C[N@@H+](Cc1c[nH]nc1-c1cccs1)C[C@H]1CCCO1 ZINC000160178374 1079548084 /nfs/dbraw/zinc/54/80/84/1079548084.db2.gz UISAYVIOLHFXFN-QGZVFWFLSA-N 0 3 369.490 4.025 20 10 FICDHN [O-]c1ccccc1C[N@H+](Cc1c[nH]nc1-c1cccs1)C[C@H]1CCCO1 ZINC000160178374 1079548092 /nfs/dbraw/zinc/54/80/92/1079548092.db2.gz UISAYVIOLHFXFN-QGZVFWFLSA-N 0 3 369.490 4.025 20 10 FICDHN Cc1ccc(C)c(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC001648835316 1081276607 /nfs/dbraw/zinc/27/66/07/1081276607.db2.gz IRIQWXGAACPFOA-HDICACEKSA-N 0 3 356.485 4.346 20 10 FICDHN Cc1c2ccccc2oc1[C@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000048747234 1081834685 /nfs/dbraw/zinc/83/46/85/1081834685.db2.gz UACMZHALDQYITD-KRWDZBQOSA-N 0 3 350.462 4.429 20 10 FICDHN C[C@@H](NCc1ccc(N2CCC(C)CC2)nc1)c1ccc(N(C)C)cc1 ZINC000160477689 1081905849 /nfs/dbraw/zinc/90/58/49/1081905849.db2.gz BLWMGQFQCUEQMB-GOSISDBHSA-N 0 3 352.526 4.235 20 10 FICDHN CC[C@H](N[C@H](CN1CCCC1=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000160721790 1082274398 /nfs/dbraw/zinc/27/43/98/1082274398.db2.gz ZHIYLXPVRKTBNX-FCHUYYIVSA-N 0 3 365.521 4.157 20 10 FICDHN C[C@H](N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(N2CCCCCC2)cc1 ZINC000166609610 1086004010 /nfs/dbraw/zinc/00/40/10/1086004010.db2.gz HVAIEANQOQZMON-RTFZILSDSA-N 0 3 350.506 4.376 20 10 FICDHN COc1ccc(CN[C@H]2CCCOc3cc(Cl)ccc32)c(O)c1OC ZINC000893305035 1090869946 /nfs/dbraw/zinc/86/99/46/1090869946.db2.gz QWVWZYGLJNAXHR-HNNXBMFYSA-N 0 3 363.841 4.066 20 10 FICDHN OC1CCN(c2ccc(CNCc3ccc(C(F)F)c(F)c3)cc2)CC1 ZINC000895451902 1093542518 /nfs/dbraw/zinc/54/25/18/1093542518.db2.gz USHFELQOSDLSKM-UHFFFAOYSA-N 0 3 364.411 4.014 20 10 FICDHN CC[C@@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(C)cc1[O-] ZINC000279969973 1093896651 /nfs/dbraw/zinc/89/66/51/1093896651.db2.gz CVTRGCDGKRDCND-TZIWHRDSSA-N 0 3 368.477 4.059 20 10 FICDHN CC[C@H]([NH2+][C@H](Cc1nc(C)no1)c1ccccc1)c1ccc(C)cc1[O-] ZINC000280012995 1094282447 /nfs/dbraw/zinc/28/24/47/1094282447.db2.gz GTLRAYSFQMHIOM-RBUKOAKNSA-N 0 3 351.450 4.417 20 10 FICDHN Cc1ccc([C@@H](C)NCc2ccncc2OCC(F)(F)F)c(O)c1C ZINC000281151690 1095496481 /nfs/dbraw/zinc/49/64/81/1095496481.db2.gz AXPGLBYSCXNTPO-CYBMUJFWSA-N 0 3 354.372 4.196 20 10 FICDHN C[C@H](CC[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-])N1CCCCC1 ZINC000757659036 1102823066 /nfs/dbraw/zinc/82/30/66/1102823066.db2.gz VCTLVDRRLKSXRF-OLZOCXBDSA-N 0 3 373.310 4.209 20 10 FICDHN Cc1ccc2nccc(NCc3ccc(N4CCC(CO)CC4)cc3)c2c1 ZINC000302159520 1107322194 /nfs/dbraw/zinc/32/21/94/1107322194.db2.gz OMJCLDOGCLPDMS-UHFFFAOYSA-N 0 3 361.489 4.364 20 10 FICDHN COc1ccc(C(C)(C)[NH2+]Cc2cc(Cl)cc(OC)c2[O-])cc1F ZINC000529649805 1110299896 /nfs/dbraw/zinc/29/98/96/1110299896.db2.gz AWGLJMGSOCIUKY-UHFFFAOYSA-N 0 3 353.821 4.227 20 10 FICDHN COc1ccc2c(c1)[C@@H](NCc1c(C)c3ccccc3n1C)CCCO2 ZINC000479436136 1112022192 /nfs/dbraw/zinc/02/21/92/1112022192.db2.gz ISQUHMSIROMAOY-IBGZPJMESA-N 0 3 350.462 4.499 20 10 FICDHN CCN(CC)c1ccc(CN(C)C(=O)Nc2cccc(CN(C)C)c2)cc1 ZINC000915345436 1120926232 /nfs/dbraw/zinc/92/62/32/1120926232.db2.gz GAJAWGWMVBDZSW-UHFFFAOYSA-N 0 3 368.525 4.258 20 10 FICDHN Fc1cc(CN[C@@H]2CCc3ccc(Cl)cc32)ccc1N1CCOCC1 ZINC000763396469 1121572295 /nfs/dbraw/zinc/57/22/95/1121572295.db2.gz UNMXXSZAJPUAQR-LJQANCHMSA-N 0 3 360.860 4.093 20 10 FICDHN FC(F)(F)c1ccc(-c2n[nH]cc2CNCc2ccc3c(c2)CCO3)cc1 ZINC000785446473 1122202753 /nfs/dbraw/zinc/20/27/53/1122202753.db2.gz AFAGOPLSUHBFPZ-UHFFFAOYSA-N 0 3 373.378 4.320 20 10 FICDHN C[N@@H+](Cc1c([O-])ccc2cc(Br)ccc21)C[C@H]1CCCCO1 ZINC000918735304 1122765939 /nfs/dbraw/zinc/76/59/39/1122765939.db2.gz JFASWXLCCGYLCU-OAHLLOKOSA-N 0 3 364.283 4.309 20 10 FICDHN C[N@H+](Cc1c([O-])ccc2cc(Br)ccc21)C[C@H]1CCCCO1 ZINC000918735304 1122765941 /nfs/dbraw/zinc/76/59/41/1122765941.db2.gz JFASWXLCCGYLCU-OAHLLOKOSA-N 0 3 364.283 4.309 20 10 FICDHN COc1ccc(N2CCN(Cc3cccc(C(C)(C)C)c3O)CC2)cc1 ZINC001143104210 1125265478 /nfs/dbraw/zinc/26/54/78/1125265478.db2.gz QPVQBQGHHRPWTO-UHFFFAOYSA-N 0 3 354.494 4.021 20 10 FICDHN CCCOc1ccc(CNCc2cc(OC)cc(C(C)(C)C)c2O)cn1 ZINC001648824399 1081252317 /nfs/dbraw/zinc/25/23/17/1081252317.db2.gz COROGIZNRFLFTM-UHFFFAOYSA-N 0 3 358.482 4.172 20 10 FICDHN Cc1ccc(C)c(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC001648835318 1081276801 /nfs/dbraw/zinc/27/68/01/1081276801.db2.gz IRIQWXGAACPFOA-ROUUACIJSA-N 0 3 356.485 4.346 20 10 FICDHN Cc1noc(C[C@@H](N[C@H](C)c2ccc(N(C)C)cc2)c2ccccc2)n1 ZINC000277004751 1083707385 /nfs/dbraw/zinc/70/73/85/1083707385.db2.gz BARNQKUENKEZER-FOIQADDNSA-N 0 3 350.466 4.079 20 10 FICDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000176210964 1083744021 /nfs/dbraw/zinc/74/40/21/1083744021.db2.gz PKUNHPZOLXJUGN-IBGZPJMESA-N 0 3 355.478 4.096 20 10 FICDHN CCCN(CC(=O)N(CC)[C@@H](C)c1ccc(F)cc1)Cc1ccccc1O ZINC001167521904 1084439212 /nfs/dbraw/zinc/43/92/12/1084439212.db2.gz MPQQTDIZRPVGIY-KRWDZBQOSA-N 0 3 372.484 4.353 20 10 FICDHN C[C@@H](N[C@@H](C)C(=O)NCc1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000161178424 1084753709 /nfs/dbraw/zinc/75/37/09/1084753709.db2.gz JENSFZKKVDLPQR-MOPGFXCFSA-N 0 3 365.521 4.032 20 10 FICDHN CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CC12CCC2 ZINC000313234567 1085290428 /nfs/dbraw/zinc/29/04/28/1085290428.db2.gz TWPXTSYJNSPWJK-SJORKVTESA-N 0 3 372.509 4.291 20 10 FICDHN CC(C)(C)OC(=O)N1CCC(C)(C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000312038668 1090131862 /nfs/dbraw/zinc/13/18/62/1090131862.db2.gz QBCOFUTYDYEQEC-MRXNPFEDSA-N 0 3 360.498 4.006 20 10 FICDHN CC[C@@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1ccc(C)cc1[O-] ZINC000280149080 1094297429 /nfs/dbraw/zinc/29/74/29/1094297429.db2.gz QBNNFRTWLIEROL-LAUBAEHRSA-N 0 3 353.510 4.362 20 10 FICDHN CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(C)cc1[O-] ZINC000280221081 1094310616 /nfs/dbraw/zinc/31/06/16/1094310616.db2.gz UTJDXWKWXUZPPH-FQEVSTJZSA-N 0 3 372.484 4.042 20 10 FICDHN [O-]c1ccccc1C[N@@H+](C[C@H]1CC[C@@H](c2ccccc2)O1)C[C@@H]1CCCO1 ZINC001167984670 1103214467 /nfs/dbraw/zinc/21/44/67/1103214467.db2.gz VNSRXORLRPDMST-XJUOHMSHSA-N 0 3 367.489 4.294 20 10 FICDHN [O-]c1ccccc1C[N@H+](C[C@H]1CC[C@@H](c2ccccc2)O1)C[C@@H]1CCCO1 ZINC001167984670 1103214475 /nfs/dbraw/zinc/21/44/75/1103214475.db2.gz VNSRXORLRPDMST-XJUOHMSHSA-N 0 3 367.489 4.294 20 10 FICDHN CC[C@H]([NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1ccccc1[O-] ZINC000760040628 1104996259 /nfs/dbraw/zinc/99/62/59/1104996259.db2.gz UESBLLQDOHKSHB-ILWGZMRPSA-N 0 3 357.469 4.346 20 10 FICDHN COc1ccc(N2CCN([C@H](C)c3ccc4c(c3)CCC4)CC2)cc1F ZINC001168067091 1107412935 /nfs/dbraw/zinc/41/29/35/1107412935.db2.gz DRURJQDIFGWYFG-MRXNPFEDSA-N 0 3 354.469 4.206 20 10 FICDHN CC[C@H]([NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1)c1ccccc1[O-] ZINC000155876206 1113927908 /nfs/dbraw/zinc/92/79/08/1113927908.db2.gz GCWSFTPOLLYZGP-HOCLYGCPSA-N 0 3 362.420 4.313 20 10 FICDHN Cc1cc(CN(C)Cc2ccccc2O)nc(-c2ccc(Cl)cc2)n1 ZINC000157252469 1115046521 /nfs/dbraw/zinc/04/65/21/1115046521.db2.gz AOPRTOTUNRIVEE-UHFFFAOYSA-N 0 3 353.853 4.443 20 10 FICDHN COc1cc(Cl)cc(C[NH2+]CCCOc2cccc3cccnc32)c1[O-] ZINC000761206663 1115622141 /nfs/dbraw/zinc/62/21/41/1115622141.db2.gz MRVBSBUGBLIBQO-UHFFFAOYSA-N 0 3 372.852 4.161 20 10 FICDHN CCOc1cccc([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000151533031 1116356563 /nfs/dbraw/zinc/35/65/63/1116356563.db2.gz VNQCPMUZXQWCAB-MRXNPFEDSA-N 0 3 372.484 4.036 20 10 FICDHN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCCN1CC1CCCCC1 ZINC001649096452 1121759205 /nfs/dbraw/zinc/75/92/05/1121759205.db2.gz WYVJUCSLOHMMEU-HNNXBMFYSA-N 0 3 354.897 4.319 20 10 FICDHN Cc1cc(O)c(CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1C(C)C ZINC000918182622 1122583931 /nfs/dbraw/zinc/58/39/31/1122583931.db2.gz BSVIWPWCNPNWEF-QGZVFWFLSA-N 0 3 362.514 4.313 20 10 FICDHN CC[C@@H](NCc1ccc(OCC(F)(F)F)nc1)c1ccc(N(C)C)cc1 ZINC000154973889 1122992019 /nfs/dbraw/zinc/99/20/19/1122992019.db2.gz IAELRGXERDUGTP-QGZVFWFLSA-N 0 3 367.415 4.330 20 10 FICDHN CC[N@@H+](Cc1c([O-])ccc2cc(Br)ccc21)C[C@H]1CCCO1 ZINC000919946287 1123277278 /nfs/dbraw/zinc/27/72/78/1123277278.db2.gz ZPJZALRFSZZDSW-OAHLLOKOSA-N 0 3 364.283 4.309 20 10 FICDHN CC[N@H+](Cc1c([O-])ccc2cc(Br)ccc21)C[C@H]1CCCO1 ZINC000919946287 1123277281 /nfs/dbraw/zinc/27/72/81/1123277281.db2.gz ZPJZALRFSZZDSW-OAHLLOKOSA-N 0 3 364.283 4.309 20 10 FICDHN CC[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1F ZINC000180215016 1124266188 /nfs/dbraw/zinc/26/61/88/1124266188.db2.gz AHMMZKACLDQYRJ-QFIPXVFZSA-N 0 3 356.485 4.275 20 10 FICDHN O=C(Nc1cccc(C[NH2+]Cc2cc(F)ccc2[O-])c1)c1cccc(F)c1 ZINC000180493729 1124347467 /nfs/dbraw/zinc/34/74/67/1124347467.db2.gz WSSJFWBKRLNYQV-UHFFFAOYSA-N 0 3 368.383 4.213 20 10 FICDHN O=C(Nc1ccc(F)cc1)c1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000180834013 1124448729 /nfs/dbraw/zinc/44/87/29/1124448729.db2.gz DFXJLGHEKMZSHH-UHFFFAOYSA-N 0 3 368.383 4.213 20 10 FICDHN Cc1ccccc1[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)C(C)(C)C ZINC001168656456 1124528522 /nfs/dbraw/zinc/52/85/22/1124528522.db2.gz BZNHWBJUUVIQST-QFIPXVFZSA-N 0 3 367.537 4.054 20 10 FICDHN CCN(C)c1ccc([C@@H](C)Nc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000182637500 1125590802 /nfs/dbraw/zinc/59/08/02/1125590802.db2.gz VWUNXZGIAKVWRU-GOSISDBHSA-N 0 3 352.526 4.068 20 10 FICDHN C[C@](O)(C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])c1ccsc1 ZINC000183157834 1125762027 /nfs/dbraw/zinc/76/20/27/1125762027.db2.gz UUCIHPNNBNPXIK-NRFANRHFSA-N 0 3 369.486 4.030 20 10 FICDHN COc1cc(O)c(CN2CCS[C@H](C)[C@H]2c2ccccc2)cc1OC ZINC000160272829 1080700815 /nfs/dbraw/zinc/70/08/15/1080700815.db2.gz KVJWYAZLCOZTPI-VLIAUNLRSA-N 0 3 359.491 4.088 20 10 FICDHN CC(=O)Nc1cccc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000155495823 1081398400 /nfs/dbraw/zinc/39/84/00/1081398400.db2.gz WATCDVZMBIBZOY-QGZVFWFLSA-N 0 3 351.494 4.486 20 10 FICDHN O=C1O[C@@H](C[N@@H+](Cc2ccccc2[O-])C2CCCC2)CN1C1CCCCC1 ZINC001167353868 1081595034 /nfs/dbraw/zinc/59/50/34/1081595034.db2.gz QQMDXIIGZCITGM-FQEVSTJZSA-N 0 3 372.509 4.290 20 10 FICDHN O=C1O[C@@H](C[N@H+](Cc2ccccc2[O-])C2CCCC2)CN1C1CCCCC1 ZINC001167353868 1081595042 /nfs/dbraw/zinc/59/50/42/1081595042.db2.gz QQMDXIIGZCITGM-FQEVSTJZSA-N 0 3 372.509 4.290 20 10 FICDHN C[C@H](NCc1ccc(N2CCC(C)CC2)nc1)c1ccc(N(C)C)cc1 ZINC000160477554 1081906070 /nfs/dbraw/zinc/90/60/70/1081906070.db2.gz BLWMGQFQCUEQMB-SFHVURJKSA-N 0 3 352.526 4.235 20 10 FICDHN CCOc1ccc(C2=CCN(Cc3cc(OC)c(OC)cc3O)CC2)cc1 ZINC000160668221 1082195309 /nfs/dbraw/zinc/19/53/09/1082195309.db2.gz IFUPTGDYXDXTAL-UHFFFAOYSA-N 0 3 369.461 4.097 20 10 FICDHN COc1cc(Br)cc(C[N@H+](C)[C@@H](C)c2cccs2)c1[O-] ZINC000157804513 1082407474 /nfs/dbraw/zinc/40/74/74/1082407474.db2.gz LFJWOCNTERNLAN-JTQLQIEISA-N 0 3 356.285 4.418 20 10 FICDHN COc1cc(Br)cc(C[N@@H+](C)[C@@H](C)c2cccs2)c1[O-] ZINC000157804513 1082407478 /nfs/dbraw/zinc/40/74/78/1082407478.db2.gz LFJWOCNTERNLAN-JTQLQIEISA-N 0 3 356.285 4.418 20 10 FICDHN CC[C@@H](C)NC(=O)c1cccc(CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000161068481 1083036684 /nfs/dbraw/zinc/03/66/84/1083036684.db2.gz QGBPHENRXYHINL-IAGOWNOFSA-N 0 3 353.510 4.132 20 10 FICDHN CC[C@@H](N[C@H](Cc1nc(C)no1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000277028512 1083723252 /nfs/dbraw/zinc/72/32/52/1083723252.db2.gz FAUVPNDKWLTRBR-NHCUHLMSSA-N 0 3 364.493 4.469 20 10 FICDHN CCNC(=O)c1cccc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000177880238 1084409056 /nfs/dbraw/zinc/40/90/56/1084409056.db2.gz YEBMXDHAAIAJAY-SFHVURJKSA-N 0 3 365.521 4.277 20 10 FICDHN COc1ccc(CN(C)Cc2ccc(N(C)C)cc2)c(C(F)(F)F)c1 ZINC001143484794 1088958527 /nfs/dbraw/zinc/95/85/27/1088958527.db2.gz RLGJIJGGTVLLHF-UHFFFAOYSA-N 0 3 352.400 4.412 20 10 FICDHN CC(C)(C)OC(=O)N1CCC(C)(C[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000312038667 1090122440 /nfs/dbraw/zinc/12/24/40/1090122440.db2.gz QBCOFUTYDYEQEC-INIZCTEOSA-N 0 3 360.498 4.006 20 10 FICDHN C[C@H](NCc1ccc(CO)c(F)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000178561065 1091866545 /nfs/dbraw/zinc/86/65/45/1091866545.db2.gz USPAJJFSZSYGIT-HNNXBMFYSA-N 0 3 360.448 4.298 20 10 FICDHN CC[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccsc1 ZINC000840757436 1095911770 /nfs/dbraw/zinc/91/17/70/1095911770.db2.gz KGPGHMOLFXMMNG-QGZVFWFLSA-N 0 3 352.450 4.104 20 10 FICDHN Cc1cc(C(=O)N2CCCN(C(C)C)CC2)c(C)n1-c1cccc(Cl)c1 ZINC001143557809 1096084039 /nfs/dbraw/zinc/08/40/39/1096084039.db2.gz GQTBODREWDPVLI-UHFFFAOYSA-N 0 3 373.928 4.304 20 10 FICDHN CC[C@@H]([NH2+]C[C@H]1CSCCN1Cc1ccccc1)c1ccccc1[O-] ZINC000760017655 1096133931 /nfs/dbraw/zinc/13/39/31/1096133931.db2.gz NNKXZDHTSGUJBN-AZUAARDMSA-N 0 3 356.535 4.051 20 10 FICDHN CCCCCNC(=O)C1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000054489966 1098846949 /nfs/dbraw/zinc/84/69/49/1098846949.db2.gz LGBMZCPFLIBGTQ-UHFFFAOYSA-N 0 3 354.494 4.064 20 10 FICDHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC001167984665 1103204125 /nfs/dbraw/zinc/20/41/25/1103204125.db2.gz VNSRXORLRPDMST-FUDKSRODSA-N 0 3 367.489 4.294 20 10 FICDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC001167984665 1103204140 /nfs/dbraw/zinc/20/41/40/1103204140.db2.gz VNSRXORLRPDMST-FUDKSRODSA-N 0 3 367.489 4.294 20 10 FICDHN COc1ccc(Cl)cc1C(C)(C)NCc1ccc(OC)c(OC)c1O ZINC000895010123 1104466072 /nfs/dbraw/zinc/46/60/72/1104466072.db2.gz PMXCDQPLTJWFCR-UHFFFAOYSA-N 0 3 365.857 4.096 20 10 FICDHN Cc1ccc([C@H](C)[NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c([O-])c1 ZINC000760041107 1105036728 /nfs/dbraw/zinc/03/67/28/1105036728.db2.gz VUTMBKNEXVRWJM-KNXBSLHKSA-N 0 3 357.469 4.264 20 10 FICDHN [O-]c1cccc2c1[C@@H]([NH+]1CCC(Cc3nc(C4CCCC4)no3)CC1)CC2 ZINC000527939776 1109863677 /nfs/dbraw/zinc/86/36/77/1109863677.db2.gz SCHSUFRQNSWQIC-SFHVURJKSA-N 0 3 367.493 4.375 20 10 FICDHN COc1ccc(O)c(CN[C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)c1 ZINC000529669028 1110302828 /nfs/dbraw/zinc/30/28/28/1110302828.db2.gz KSVKXBWIEZKGFL-QGZVFWFLSA-N 0 3 369.292 4.100 20 10 FICDHN CC[C@H](NCc1ccc(C)cc1OCCOC)c1ccc(N(C)C)cc1 ZINC000167639648 1115309986 /nfs/dbraw/zinc/30/99/86/1115309986.db2.gz LZVDRVNYCVEPFT-NRFANRHFSA-N 0 3 356.510 4.327 20 10 FICDHN COc1cc(Cl)cc(CN(Cc2cccs2)C[C@@H]2CCCO2)c1O ZINC000761184222 1115598489 /nfs/dbraw/zinc/59/84/89/1115598489.db2.gz UEWSSISIBIZVMQ-HNNXBMFYSA-N 0 3 367.898 4.297 20 10 FICDHN CCc1nc(C)c([C@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)s1 ZINC000151559795 1118499165 /nfs/dbraw/zinc/49/91/65/1118499165.db2.gz YXUJJOQCYAKECC-HNNXBMFYSA-N 0 3 373.566 4.073 20 10 FICDHN COc1cc(CN(C)Cc2ccc3c(c2)OCCO3)c(O)c(C(C)(C)C)c1 ZINC000915832332 1121121979 /nfs/dbraw/zinc/12/19/79/1121121979.db2.gz SWBAYGSVHCPLAX-UHFFFAOYSA-N 0 3 371.477 4.102 20 10 FICDHN COc1ccc(O)c([C@H](C)Nc2cccc(CN3CCSCC3)c2)c1 ZINC000186342969 1122039721 /nfs/dbraw/zinc/03/97/21/1122039721.db2.gz FNRYTYKEUYZJKU-HNNXBMFYSA-N 0 3 358.507 4.123 20 10 FICDHN CCN(Cc1ccc(Cl)c(Cl)c1)Cc1cc2c(cc1O)OCO2 ZINC000917488815 1122333723 /nfs/dbraw/zinc/33/37/23/1122333723.db2.gz WVVDDLMMVZVPFS-UHFFFAOYSA-N 0 3 354.233 4.450 20 10 FICDHN CCN(CC)c1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000180062800 1124216773 /nfs/dbraw/zinc/21/67/73/1124216773.db2.gz KMVLGHPTVAJYTR-UHFFFAOYSA-N 0 3 373.504 4.095 20 10 FICDHN CCC[N@H+](Cc1cccc(C(=O)N2CCCCC2)c1)Cc1ccccc1[O-] ZINC000068973528 1124433764 /nfs/dbraw/zinc/43/37/64/1124433764.db2.gz GAJIIEWVOZTMRL-UHFFFAOYSA-N 0 3 366.505 4.431 20 10 FICDHN CCC[N@@H+](Cc1cccc(C(=O)N2CCCCC2)c1)Cc1ccccc1[O-] ZINC000068973528 1124433768 /nfs/dbraw/zinc/43/37/68/1124433768.db2.gz GAJIIEWVOZTMRL-UHFFFAOYSA-N 0 3 366.505 4.431 20 10 FICDHN C[C@H]([NH2+]CCCN1CCCC[C@H]1C)c1cc(Br)cc(F)c1[O-] ZINC000756363513 1124842481 /nfs/dbraw/zinc/84/24/81/1124842481.db2.gz OZYDFKLDXQDKGZ-OLZOCXBDSA-N 0 3 373.310 4.209 20 10 FICDHN COc1cc(O)c(CN2CCS[C@@H](C)[C@H]2c2ccccc2)cc1OC ZINC000160272972 1080703926 /nfs/dbraw/zinc/70/39/26/1080703926.db2.gz KVJWYAZLCOZTPI-XOBRGWDASA-N 0 3 359.491 4.088 20 10 FICDHN Cc1c2ccccc2n(C)c1CN[C@@H](C)c1cncc(Br)c1 ZINC000580451353 1081951257 /nfs/dbraw/zinc/95/12/57/1081951257.db2.gz DNGFXEMPIARHJO-ZDUSSCGKSA-N 0 3 358.283 4.495 20 10 FICDHN CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2)c1ccccc1[O-] ZINC000156161032 1082485101 /nfs/dbraw/zinc/48/51/01/1082485101.db2.gz REVYAEKLYJILNV-AXHNFQJDSA-N 0 3 354.450 4.304 20 10 FICDHN Oc1ccccc1CNCc1cc(Cl)ccc1OCc1cccnc1 ZINC000725851210 1084768560 /nfs/dbraw/zinc/76/85/60/1084768560.db2.gz KGOXKBXSMNTDAE-UHFFFAOYSA-N 0 3 354.837 4.309 20 10 FICDHN COc1cc(O)c(CN(C)Cc2ccc(C(F)(F)F)cc2)cc1OC ZINC000158834147 1087407113 /nfs/dbraw/zinc/40/71/13/1087407113.db2.gz AYXMIGIILQQSOL-UHFFFAOYSA-N 0 3 355.356 4.060 20 10 FICDHN COc1ccc(C)cc1[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000162358612 1087930397 /nfs/dbraw/zinc/93/03/97/1087930397.db2.gz LYKNEYCBTGUIGJ-QZTJIDSGSA-N 0 3 354.494 4.252 20 10 FICDHN CC[C@@H]([NH2+]CC1(C)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000311311001 1088545502 /nfs/dbraw/zinc/54/55/02/1088545502.db2.gz WQKNFGNNNNZNIH-QGZVFWFLSA-N 0 3 362.514 4.470 20 10 FICDHN [O-]c1ccc(F)cc1C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000278808690 1088784751 /nfs/dbraw/zinc/78/47/51/1088784751.db2.gz YLLSSOOXTJAABJ-UHFFFAOYSA-N 0 3 369.358 4.346 20 10 FICDHN COc1ccc(N2CCC[N@H+](Cc3c([O-])ccc4ccccc43)CC2)cc1 ZINC000108219663 1093707158 /nfs/dbraw/zinc/70/71/58/1093707158.db2.gz CIBDCDMKXBZMRI-UHFFFAOYSA-N 0 3 362.473 4.266 20 10 FICDHN COc1ccc(N2CCC[N@@H+](Cc3c([O-])ccc4ccccc43)CC2)cc1 ZINC000108219663 1093707163 /nfs/dbraw/zinc/70/71/63/1093707163.db2.gz CIBDCDMKXBZMRI-UHFFFAOYSA-N 0 3 362.473 4.266 20 10 FICDHN CC[C@@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(C)cc1[O-] ZINC000279969958 1093893303 /nfs/dbraw/zinc/89/33/03/1093893303.db2.gz CVTRGCDGKRDCND-CTNGQTDRSA-N 0 3 368.477 4.059 20 10 FICDHN CC[C@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1ccc(C)cc1[O-] ZINC000280233382 1094314769 /nfs/dbraw/zinc/31/47/69/1094314769.db2.gz VKLAKRCEHKJZHN-FQEVSTJZSA-N 0 3 352.478 4.046 20 10 FICDHN CC[N@H+](Cc1cc(I)cs1)Cc1ccccc1[O-] ZINC001141866724 1094321284 /nfs/dbraw/zinc/32/12/84/1094321284.db2.gz QVPLKFUVOSPRPO-UHFFFAOYSA-N 0 3 373.259 4.080 20 10 FICDHN CC[C@@H](N[C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(C)cc1O ZINC000280267517 1094316861 /nfs/dbraw/zinc/31/68/61/1094316861.db2.gz XRADIZKBSVYULR-CTNGQTDRSA-N 0 3 353.441 4.404 20 10 FICDHN CC[N@@H+](Cc1cc(I)cs1)Cc1ccccc1[O-] ZINC001141866724 1094321294 /nfs/dbraw/zinc/32/12/94/1094321294.db2.gz QVPLKFUVOSPRPO-UHFFFAOYSA-N 0 3 373.259 4.080 20 10 FICDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1[O-] ZINC000273799016 1096296735 /nfs/dbraw/zinc/29/67/35/1096296735.db2.gz WTTLUFUGYIGIRW-SJORKVTESA-N 0 3 365.832 4.203 20 10 FICDHN CC[C@H]([NH2+]Cc1ccc(C)nc1-n1cc(Cl)cn1)c1ccccc1[O-] ZINC000191524909 1101946846 /nfs/dbraw/zinc/94/68/46/1101946846.db2.gz YAGFONFPCXRWLM-KRWDZBQOSA-N 0 3 356.857 4.176 20 10 FICDHN CC(C)(C)OC(=O)NC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000054548672 1102137826 /nfs/dbraw/zinc/13/78/26/1102137826.db2.gz XZWCOZUEOKDBFN-UHFFFAOYSA-N 0 3 356.466 4.035 20 10 FICDHN COCC1CCC([NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000840875515 1106967876 /nfs/dbraw/zinc/96/78/76/1106967876.db2.gz HVDOEWORQOITKO-OPFPJEHXSA-N 0 3 356.304 4.319 20 10 FICDHN COc1cc([C@H](C)NCc2c(C)c3ccccc3n2C)cc(OC)c1OC ZINC000479455433 1112030176 /nfs/dbraw/zinc/03/01/76/1112030176.db2.gz NOOZNCUTYNPWFF-HNNXBMFYSA-N 0 3 368.477 4.363 20 10 FICDHN CCOc1ccc([C@@H](C)NCc2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000179399370 1113350422 /nfs/dbraw/zinc/35/04/22/1113350422.db2.gz GTHYZGATVAXWKZ-MRXNPFEDSA-N 0 3 369.465 4.445 20 10 FICDHN Cc1ccc(Br)cc1CNCc1ccc(N(C)C)c(F)c1 ZINC000783995286 1113458354 /nfs/dbraw/zinc/45/83/54/1113458354.db2.gz WVKREHPANNGVNX-UHFFFAOYSA-N 0 3 351.263 4.252 20 10 FICDHN c1ccc2c(c1)OCCC[C@@H]2NCc1ccc(N2CCSCC2)cc1 ZINC000163615229 1114122239 /nfs/dbraw/zinc/12/22/39/1114122239.db2.gz VHKKHRQYABXKAG-FQEVSTJZSA-N 0 3 354.519 4.243 20 10 FICDHN CCc1noc(-c2ccc(CC[NH2+][C@H](CC)c3ccccc3[O-])cc2)n1 ZINC000156496896 1114452202 /nfs/dbraw/zinc/45/22/02/1114452202.db2.gz UIQBNOSQATWDBS-GOSISDBHSA-N 0 3 351.450 4.288 20 10 FICDHN COc1cc(Cl)cc(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC000761216330 1115649234 /nfs/dbraw/zinc/64/92/34/1115649234.db2.gz OFQWISFLRJQXNK-UHFFFAOYSA-N 0 3 369.889 4.044 20 10 FICDHN COc1cc([C@@H](C)NCc2ccc(N3CCSCC3)cc2)ccc1F ZINC000153017160 1119818921 /nfs/dbraw/zinc/81/89/21/1119818921.db2.gz BULXHGYNYLTPIH-OAHLLOKOSA-N 0 3 360.498 4.238 20 10 FICDHN COc1cc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1F ZINC000153228186 1120370571 /nfs/dbraw/zinc/37/05/71/1120370571.db2.gz HODSWBDXYABCOT-JKSUJKDBSA-N 0 3 358.457 4.083 20 10 FICDHN CCN(CC)c1ccc(CNCc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000915224665 1120881994 /nfs/dbraw/zinc/88/19/94/1120881994.db2.gz CBODYUXGFHKYFY-UHFFFAOYSA-N 0 3 360.885 4.247 20 10 FICDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2c(C)cccc2C(C)C)c1 ZINC000182339196 1125414640 /nfs/dbraw/zinc/41/46/40/1125414640.db2.gz MQOLBYUPPRCCHU-OAHLLOKOSA-N 0 3 356.466 4.122 20 10 FICDHN C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183161979 1125763242 /nfs/dbraw/zinc/76/32/42/1125763242.db2.gz KJRNIXCERZIBCR-IIBYNOLFSA-N 0 3 367.445 4.166 20 10 FICDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](c2ccc(Br)cc2)C1 ZINC001140055205 1080740774 /nfs/dbraw/zinc/74/07/74/1080740774.db2.gz NRZWKDURYSBRPS-ZDUSSCGKSA-N 0 3 350.231 4.283 20 10 FICDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](c2ccc(Br)cc2)C1 ZINC001140055205 1080740778 /nfs/dbraw/zinc/74/07/78/1080740778.db2.gz NRZWKDURYSBRPS-ZDUSSCGKSA-N 0 3 350.231 4.283 20 10 FICDHN CCN1CCN(c2ccc(NCc3ccc(N4CCCC4)cc3)cc2)CC1 ZINC001648859396 1081320817 /nfs/dbraw/zinc/32/08/17/1081320817.db2.gz YZLJHJFXMTYRHS-UHFFFAOYSA-N 0 3 364.537 4.041 20 10 FICDHN CCN(C)c1ccc([C@@H](C)N[C@@H](Cc2nc(C)no2)c2ccccc2)cc1 ZINC000277046570 1083727206 /nfs/dbraw/zinc/72/72/06/1083727206.db2.gz GQCPSYVEVHKVMQ-IERDGZPVSA-N 0 3 364.493 4.469 20 10 FICDHN CC[C@H](NCc1ccc(-n2nc(C)cc2C)nc1)c1ccc(N(C)C)cc1 ZINC000162804278 1085418379 /nfs/dbraw/zinc/41/83/79/1085418379.db2.gz XRPXGKJMXOEVMM-NRFANRHFSA-N 0 3 363.509 4.191 20 10 FICDHN CC(=O)Nc1ccc(CN[C@H](C)c2ccc(N3CCCCCC3)cc2)cn1 ZINC000278976967 1086734012 /nfs/dbraw/zinc/73/40/12/1086734012.db2.gz CQYZEILJCPVYBP-QGZVFWFLSA-N 0 3 366.509 4.271 20 10 FICDHN CCN(C)c1ccc([C@H](C)NCc2ccnc(N3CCCCC3)c2)cc1 ZINC000162400810 1090846549 /nfs/dbraw/zinc/84/65/49/1090846549.db2.gz PJTHIHDRJYFDTQ-SFHVURJKSA-N 0 3 352.526 4.379 20 10 FICDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000311298388 1091300686 /nfs/dbraw/zinc/30/06/86/1091300686.db2.gz IGMGRAOYQLWIJG-IXDOHACOSA-N 0 3 362.514 4.387 20 10 FICDHN Cc1ccc(C)n1-c1ccc(C(=O)N(CC(C)C)C2CCN(C)CC2)cc1 ZINC000261488116 1091777511 /nfs/dbraw/zinc/77/75/11/1091777511.db2.gz VZQCRYHUGGPNGN-UHFFFAOYSA-N 0 3 367.537 4.287 20 10 FICDHN COc1ccc(O)c([C@H](C)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000279602465 1091937896 /nfs/dbraw/zinc/93/78/96/1091937896.db2.gz WKXFPHPGQSQWQF-JTQLQIEISA-N 0 3 370.327 4.179 20 10 FICDHN COc1ccc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)c([O-])c1 ZINC000237481922 1099926693 /nfs/dbraw/zinc/92/66/93/1099926693.db2.gz JSUIZNDRGLVJPH-UHFFFAOYSA-N 0 3 354.381 4.017 20 10 FICDHN Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])cn1 ZINC000185084320 1101686964 /nfs/dbraw/zinc/68/69/64/1101686964.db2.gz DJZHJVIQEQJEPL-HNNXBMFYSA-N 0 3 358.445 4.285 20 10 FICDHN Cc1noc(C[C@H]([NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)c2ccccc2)n1 ZINC000760052144 1105218669 /nfs/dbraw/zinc/21/86/69/1105218669.db2.gz PZGQQRRUGZEHTO-AFAVFJNCSA-N 0 3 367.424 4.345 20 10 FICDHN Cc1ccc2nccc(NCc3ccc(N4CCOCC4)c(F)c3)c2c1 ZINC000302174891 1107326873 /nfs/dbraw/zinc/32/68/73/1107326873.db2.gz WMXCSANGARYXPS-UHFFFAOYSA-N 0 3 351.425 4.131 20 10 FICDHN CCN(C)c1ccc([C@H](C)N[C@@H]2CCN(C(C)=O)c3ccccc32)cc1 ZINC000367396158 1109665501 /nfs/dbraw/zinc/66/55/01/1109665501.db2.gz HEPSKFCEASEFIJ-HRAATJIYSA-N 0 3 351.494 4.291 20 10 FICDHN COc1ccc2c(c1)[C@H](NCc1c(C)c3ccccc3n1C)CCCO2 ZINC000479436137 1112022445 /nfs/dbraw/zinc/02/24/45/1112022445.db2.gz ISQUHMSIROMAOY-LJQANCHMSA-N 0 3 350.462 4.499 20 10 FICDHN Cc1c2ccccc2n(C)c1CN[C@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000479456760 1112029959 /nfs/dbraw/zinc/02/99/59/1112029959.db2.gz QKMGQUOYKQBIPK-KRWDZBQOSA-N 0 3 351.425 4.189 20 10 FICDHN COc1ccc([C@H](C)NCc2ccc(N3CCSCC3)cc2)cc1F ZINC000163594133 1113868212 /nfs/dbraw/zinc/86/82/12/1113868212.db2.gz YYAQAURFOVWOFJ-HNNXBMFYSA-N 0 3 360.498 4.238 20 10 FICDHN CC(C)[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F ZINC000150874186 1114151450 /nfs/dbraw/zinc/15/14/50/1114151450.db2.gz JDBJKZWZGBRJQQ-OAQYLSRUSA-N 0 3 360.448 4.288 20 10 FICDHN CCSc1ccccc1[C@@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000151063292 1114288160 /nfs/dbraw/zinc/28/81/60/1114288160.db2.gz RQFCQIZSEDBUMJ-QGZVFWFLSA-N 0 3 356.535 4.486 20 10 FICDHN O=C(NC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1)c1ccsc1 ZINC000057106909 1114873299 /nfs/dbraw/zinc/87/32/99/1114873299.db2.gz MSCBYSCFEXEVGK-UHFFFAOYSA-N 0 3 366.486 4.001 20 10 FICDHN CC[C@@H](NCc1ccc(C)cc1OCCOC)c1ccc(N(C)C)cc1 ZINC000167639763 1115310258 /nfs/dbraw/zinc/31/02/58/1115310258.db2.gz LZVDRVNYCVEPFT-OAQYLSRUSA-N 0 3 356.510 4.327 20 10 FICDHN CC[C@@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)c1ccccc1[O-] ZINC000157966406 1115414874 /nfs/dbraw/zinc/41/48/74/1115414874.db2.gz FMELWBNAQVRNFZ-QGZVFWFLSA-N 0 3 355.413 4.255 20 10 FICDHN COc1cc(Cl)cc(C[N@@H+]2CCCN(c3ccc(C)cc3)CC2)c1[O-] ZINC000761184940 1115600383 /nfs/dbraw/zinc/60/03/83/1115600383.db2.gz QGKHRMAZYHKQJQ-UHFFFAOYSA-N 0 3 360.885 4.075 20 10 FICDHN COc1cc(Cl)cc(C[N@H+]2CCCN(c3ccc(C)cc3)CC2)c1[O-] ZINC000761184940 1115600384 /nfs/dbraw/zinc/60/03/84/1115600384.db2.gz QGKHRMAZYHKQJQ-UHFFFAOYSA-N 0 3 360.885 4.075 20 10 FICDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@@H](OC)c2ccc(F)cc2)c1[O-] ZINC000761216689 1115648868 /nfs/dbraw/zinc/64/88/68/1115648868.db2.gz WDQBGBOJAGKWFV-BBATYDOGSA-N 0 3 353.821 4.059 20 10 FICDHN Cc1cc(O)c(CN2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1C(C)C ZINC000918182620 1122584299 /nfs/dbraw/zinc/58/42/99/1122584299.db2.gz BSVIWPWCNPNWEF-KRWDZBQOSA-N 0 3 362.514 4.313 20 10 FICDHN Nc1cc[nH+]c2cc(NCc3cc(Cl)c4cccnc4c3[O-])ccc12 ZINC001168525428 1123839885 /nfs/dbraw/zinc/83/98/85/1123839885.db2.gz CYWYVHCVEZBBJX-UHFFFAOYSA-N 0 3 350.809 4.336 20 10 FICDHN COc1cc(O)c(C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1OC ZINC000180183042 1124257614 /nfs/dbraw/zinc/25/76/14/1124257614.db2.gz HCCHGAIBJRZGFL-UHFFFAOYSA-N 0 3 357.450 4.060 20 10 FICDHN COc1cc(O)c(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1OC ZINC000180183042 1124257620 /nfs/dbraw/zinc/25/76/20/1124257620.db2.gz HCCHGAIBJRZGFL-UHFFFAOYSA-N 0 3 357.450 4.060 20 10 FICDHN COc1ccc([C@H](NCc2cc(OC)ccc2O)c2ccc(F)cc2)cc1 ZINC000180886468 1124461125 /nfs/dbraw/zinc/46/11/25/1124461125.db2.gz JXAZKSAKQYTBLW-JOCHJYFZSA-N 0 3 367.420 4.428 20 10 FICDHN COc1ccc(O)c(CN[C@H](COc2ccccc2F)c2ccccc2)c1 ZINC000180907132 1124465778 /nfs/dbraw/zinc/46/57/78/1124465778.db2.gz WQCRIFBXWCKRMA-HXUWFJFHSA-N 0 3 367.420 4.450 20 10 FICDHN CCN(C)c1ccc([C@@H](C)N[C@@H](CN2CCCC2=O)c2ccccc2)cc1 ZINC000160679029 1082208049 /nfs/dbraw/zinc/20/80/49/1082208049.db2.gz LVWRUTXNIJFQQY-GCJKJVERSA-N 0 3 365.521 4.157 20 10 FICDHN CN(C)Cc1cccc(C(=O)Nc2cccc(N3CCCCCC3)c2)c1 ZINC000157089615 1082459031 /nfs/dbraw/zinc/45/90/31/1082459031.db2.gz CCIBFLVVVFHSIX-UHFFFAOYSA-N 0 3 351.494 4.381 20 10 FICDHN COc1cc([C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000157420504 1084379142 /nfs/dbraw/zinc/37/91/42/1084379142.db2.gz FQMRRAGCZXLGKB-CABCVRRESA-N 0 3 358.482 4.190 20 10 FICDHN CCOc1ccccc1[C@@H](C)NCc1ccc(N2CCSCC2)cc1 ZINC000163627961 1088160092 /nfs/dbraw/zinc/16/00/92/1088160092.db2.gz JPRQYGRPYIRYGT-QGZVFWFLSA-N 0 3 356.535 4.489 20 10 FICDHN Cc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000311291690 1088528991 /nfs/dbraw/zinc/52/89/91/1088528991.db2.gz BERPIEJJBZXHNH-IIBYNOLFSA-N 0 3 362.514 4.388 20 10 FICDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000311298389 1088543966 /nfs/dbraw/zinc/54/39/66/1088543966.db2.gz IGMGRAOYQLWIJG-ULQDDVLXSA-N 0 3 362.514 4.387 20 10 FICDHN C[N@H+](CCc1nccs1)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183116190 1090391515 /nfs/dbraw/zinc/39/15/15/1090391515.db2.gz XUWROPHNNIGCHV-UHFFFAOYSA-N 0 3 354.475 4.102 20 10 FICDHN C[N@@H+](CCc1nccs1)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183116190 1090391523 /nfs/dbraw/zinc/39/15/23/1090391523.db2.gz XUWROPHNNIGCHV-UHFFFAOYSA-N 0 3 354.475 4.102 20 10 FICDHN COc1cccc(Oc2ncccc2CN[C@H](C)c2ccccc2O)c1 ZINC000183528028 1090419656 /nfs/dbraw/zinc/41/96/56/1090419656.db2.gz GTHBWKRTRFWAQT-OAHLLOKOSA-N 0 3 350.418 4.439 20 10 FICDHN COc1cccc(Oc2ncccc2C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000183528028 1090419663 /nfs/dbraw/zinc/41/96/63/1090419663.db2.gz GTHBWKRTRFWAQT-OAHLLOKOSA-N 0 3 350.418 4.439 20 10 FICDHN CCN(C)c1ccc([C@@H](C)NCc2ccc(-n3nc(C)cc3C)nc2)cc1 ZINC000162775801 1091477483 /nfs/dbraw/zinc/47/74/83/1091477483.db2.gz OQTOKWAXYHLDJP-GOSISDBHSA-N 0 3 363.509 4.191 20 10 FICDHN C[C@H](C[NH2+][C@H](C)c1ccccc1[O-])Oc1ccc(Br)cc1 ZINC000783517595 1093374900 /nfs/dbraw/zinc/37/49/00/1093374900.db2.gz LPMYUMWNTYWEMW-CHWSQXEVSA-N 0 3 350.256 4.273 20 10 FICDHN CC[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1ccc(C)cc1[O-] ZINC000280233387 1094316106 /nfs/dbraw/zinc/31/61/06/1094316106.db2.gz VKLAKRCEHKJZHN-HXUWFJFHSA-N 0 3 352.478 4.046 20 10 FICDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1[O-] ZINC000273799008 1096296849 /nfs/dbraw/zinc/29/68/49/1096296849.db2.gz WTTLUFUGYIGIRW-IAGOWNOFSA-N 0 3 365.832 4.203 20 10 FICDHN C[C@H]([NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1[O-] ZINC000183419057 1101627633 /nfs/dbraw/zinc/62/76/33/1101627633.db2.gz JXHXPYLEFCQWNB-ZDUSSCGKSA-N 0 3 365.399 4.126 20 10 FICDHN COc1cc(Br)cc(CNC2(c3ccc(F)cc3)CC2)c1O ZINC000729685900 1103118309 /nfs/dbraw/zinc/11/83/09/1103118309.db2.gz VCRSMVURCDQVIM-UHFFFAOYSA-N 0 3 366.230 4.081 20 10 FICDHN Cc1c2ccccc2n(C)c1CN[C@H](C)c1ccc2c(c1)OCCCO2 ZINC000530518981 1107098209 /nfs/dbraw/zinc/09/82/09/1107098209.db2.gz XZMWUJGCDQWJKG-MRXNPFEDSA-N 0 3 350.462 4.499 20 10 FICDHN CCCN1CCC([NH2+][C@@H](CC)c2cc(Br)ccc2[O-])CC1 ZINC000021050996 1107996474 /nfs/dbraw/zinc/99/64/74/1107996474.db2.gz LPPHLBOWRPUNHF-INIZCTEOSA-N 0 3 355.320 4.070 20 10 FICDHN Cc1ccc([C@@H](C)NCc2ccc(N3CCSCC3)cc2)cc1[N+](=O)[O-] ZINC000163600622 1113885894 /nfs/dbraw/zinc/88/58/94/1113885894.db2.gz FTPIYVJFIPVIOD-MRXNPFEDSA-N 0 3 371.506 4.307 20 10 FICDHN CC[C@@H]([NH2+]Cc1ccc(C)cc1OC[C@H]1CCCO1)c1ccccc1[O-] ZINC000156336760 1114417638 /nfs/dbraw/zinc/41/76/38/1114417638.db2.gz BPVPRSOOPGTPJM-UYAOXDASSA-N 0 3 355.478 4.499 20 10 FICDHN CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761182382 1115596583 /nfs/dbraw/zinc/59/65/83/1115596583.db2.gz CTHVQAQMHQCYPS-UHFFFAOYSA-N 0 3 365.857 4.094 20 10 FICDHN CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761182382 1115596585 /nfs/dbraw/zinc/59/65/85/1115596585.db2.gz CTHVQAQMHQCYPS-UHFFFAOYSA-N 0 3 365.857 4.094 20 10 FICDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](OC)c2ccc(Cl)cc2)c1[O-] ZINC000761207620 1115625639 /nfs/dbraw/zinc/62/56/39/1115625639.db2.gz QWPITIRESBFWBX-MRXNPFEDSA-N 0 3 356.249 4.185 20 10 FICDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@H](OC)c2ccccc2F)c1[O-] ZINC000761214231 1115645709 /nfs/dbraw/zinc/64/57/09/1115645709.db2.gz AGMZNXHBKRSIDU-VOJFVSQTSA-N 0 3 353.821 4.059 20 10 FICDHN COc1ccc([C@@H](C)NCc2ccc(N3CCSCC3)cc2)cc1OC ZINC000173331276 1116051168 /nfs/dbraw/zinc/05/11/68/1116051168.db2.gz IIGFSHGUQMIFQU-MRXNPFEDSA-N 0 3 372.534 4.108 20 10 FICDHN CCN(CC)c1ccc(CNCc2ccc3c(c2)COC(C)(C)O3)cc1 ZINC000186367531 1122063758 /nfs/dbraw/zinc/06/37/58/1122063758.db2.gz PNLBEYUPRDOFOV-UHFFFAOYSA-N 0 3 354.494 4.468 20 10 FICDHN CCN(CC)c1ccc(CNCc2ccccc2N2CCO[C@H](C)C2)cc1 ZINC000917434981 1122313720 /nfs/dbraw/zinc/31/37/20/1122313720.db2.gz FSYQIHRDSXBCMW-LJQANCHMSA-N 0 3 367.537 4.048 20 10 FICDHN C[C@H](N[C@H]1CCc2c1cc(F)cc2F)c1ccc(N2CCOCC2)cc1 ZINC000154637188 1122544100 /nfs/dbraw/zinc/54/41/00/1122544100.db2.gz DQMSYIUBIWQOPL-QKKBWIMNSA-N 0 3 358.432 4.140 20 10 FICDHN CC[N@@H+](Cc1c([O-])ccc2cc(Br)ccc21)C[C@@H]1CCCO1 ZINC000919946286 1123277459 /nfs/dbraw/zinc/27/74/59/1123277459.db2.gz ZPJZALRFSZZDSW-HNNXBMFYSA-N 0 3 364.283 4.309 20 10 FICDHN CC[N@H+](Cc1c([O-])ccc2cc(Br)ccc21)C[C@@H]1CCCO1 ZINC000919946286 1123277460 /nfs/dbraw/zinc/27/74/60/1123277460.db2.gz ZPJZALRFSZZDSW-HNNXBMFYSA-N 0 3 364.283 4.309 20 10 FICDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000179568138 1124007677 /nfs/dbraw/zinc/00/76/77/1124007677.db2.gz WFFUPCLYKCNKSP-INIZCTEOSA-N 0 3 369.852 4.475 20 10 FICDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000179568138 1124007683 /nfs/dbraw/zinc/00/76/83/1124007683.db2.gz WFFUPCLYKCNKSP-INIZCTEOSA-N 0 3 369.852 4.475 20 10 FICDHN COc1cccc(CNCc2c(C)nn(-c3ccc(Cl)cc3)c2C)c1O ZINC000733900805 1125006968 /nfs/dbraw/zinc/00/69/68/1125006968.db2.gz JZJDSLKIZUFAKY-UHFFFAOYSA-N 0 3 371.868 4.147 20 10 FICDHN C[C@@](O)(C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])c1cccs1 ZINC000183157682 1125762316 /nfs/dbraw/zinc/76/23/16/1125762316.db2.gz GHLSGBBYRGSIJU-OAQYLSRUSA-N 0 3 369.486 4.030 20 10 FICDHN C[C@H](N[C@@H]1c2ccccc2C[C@H]1O)c1ccc(N2CCCCCC2)cc1 ZINC000246960017 1080650377 /nfs/dbraw/zinc/65/03/77/1080650377.db2.gz HVAIEANQOQZMON-JJEOQYAHSA-N 0 3 350.506 4.376 20 10 FICDHN CC[C@@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1ccccc1[O-] ZINC000121097629 1081429719 /nfs/dbraw/zinc/42/97/19/1081429719.db2.gz IKJRUSQYLKSIHS-CQSZACIVSA-N 0 3 364.239 4.124 20 10 FICDHN CCOc1ccc([C@H](C)NCc2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000179399379 1083447198 /nfs/dbraw/zinc/44/71/98/1083447198.db2.gz GTHYZGATVAXWKZ-INIZCTEOSA-N 0 3 369.465 4.445 20 10 FICDHN CC[C@@H](N[C@@H](Cc1nc(C)no1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000277028515 1083723518 /nfs/dbraw/zinc/72/35/18/1083723518.db2.gz FAUVPNDKWLTRBR-RTWAWAEBSA-N 0 3 364.493 4.469 20 10 FICDHN COc1ccc(CNCc2cc(C)n(-c3cccc(C)c3)c2C)cc1O ZINC000725851448 1084784466 /nfs/dbraw/zinc/78/44/66/1084784466.db2.gz PXTGOGXBHJSXPM-UHFFFAOYSA-N 0 3 350.462 4.407 20 10 FICDHN C[C@H](N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(N2CCCCC2)c(F)c1 ZINC000166572866 1085979183 /nfs/dbraw/zinc/97/91/83/1085979183.db2.gz MYOLOSTVDRBPFU-RXYZOABWSA-N 0 3 354.469 4.125 20 10 FICDHN Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000311291692 1088529561 /nfs/dbraw/zinc/52/95/61/1088529561.db2.gz BERPIEJJBZXHNH-KKSFZXQISA-N 0 3 362.514 4.388 20 10 FICDHN CCOc1ccc(C[NH2+]C[C@@H](C)CSc2ccccc2OC)c([O-])c1 ZINC000728782464 1091016098 /nfs/dbraw/zinc/01/60/98/1091016098.db2.gz QFXKEJGQXZOYFA-OAHLLOKOSA-N 0 3 361.507 4.318 20 10 FICDHN COC[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000193995888 1091340624 /nfs/dbraw/zinc/34/06/24/1091340624.db2.gz LMXQIMWXDVPOTO-KKSFZXQISA-N 0 3 374.912 4.215 20 10 FICDHN CC[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cc(Br)ccc1[O-] ZINC000193928919 1091671182 /nfs/dbraw/zinc/67/11/82/1091671182.db2.gz PBUUAAQGZGJLGP-INIZCTEOSA-N 0 3 369.347 4.458 20 10 FICDHN CC[C@@H]([NH2+]Cc1ccc(-n2nc(C)cc2C)nc1)c1ccc(C)cc1[O-] ZINC000279966086 1093803558 /nfs/dbraw/zinc/80/35/58/1093803558.db2.gz CPNCMPHEZJGFED-LJQANCHMSA-N 0 3 350.466 4.139 20 10 FICDHN CC[C@H]([NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1ccccc1[O-] ZINC000760040633 1104996704 /nfs/dbraw/zinc/99/67/04/1104996704.db2.gz UESBLLQDOHKSHB-NNWRFLSQSA-N 0 3 357.469 4.346 20 10 FICDHN Oc1cccc2c1[C@H](NCc1cc(F)c(Br)cc1F)CC2 ZINC000527977205 1109873249 /nfs/dbraw/zinc/87/32/49/1109873249.db2.gz CPYFHIRXURPSRL-CQSZACIVSA-N 0 3 354.194 4.210 20 10 FICDHN CC[C@H](NCc1ccc(N2CCSCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000163612196 1114095451 /nfs/dbraw/zinc/09/54/51/1114095451.db2.gz CZXWCMLMGCWSIZ-FQEVSTJZSA-N 0 3 371.506 4.389 20 10 FICDHN CC[C@@H]([NH2+]Cc1ccc(C)cc1OC[C@H]1CCOC1)c1ccccc1[O-] ZINC000156309730 1114382899 /nfs/dbraw/zinc/38/28/99/1114382899.db2.gz DIQYFMXRPJUTPI-FXAWDEMLSA-N 0 3 355.478 4.357 20 10 FICDHN COc1cc(Cl)cc(C[NH2+][C@H](C)[C@@H](OC)c2ccccc2F)c1[O-] ZINC000761214225 1115645701 /nfs/dbraw/zinc/64/57/01/1115645701.db2.gz AGMZNXHBKRSIDU-ADLMAVQZSA-N 0 3 353.821 4.059 20 10 FICDHN FC(F)Oc1ccc(N2CCC[C@H](NCc3cccnc3Cl)C2)cc1 ZINC000174621277 1116181638 /nfs/dbraw/zinc/18/16/38/1116181638.db2.gz ZTTNGUQILMWQFN-AWEZNQCLSA-N 0 3 367.827 4.095 20 10 FICDHN CCc1nc(C)c([C@@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)s1 ZINC000151559717 1118498895 /nfs/dbraw/zinc/49/88/95/1118498895.db2.gz YXUJJOQCYAKECC-OAHLLOKOSA-N 0 3 373.566 4.073 20 10 FICDHN CCN(Cc1ccccc1)c1ccc(CNCc2ccc(N(C)C)nc2)cc1 ZINC000915228151 1120884186 /nfs/dbraw/zinc/88/41/86/1120884186.db2.gz DZZHIZVFQMVNCS-UHFFFAOYSA-N 0 3 374.532 4.464 20 10 FICDHN CC(C)(C)OC(=O)N1CC(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000762602188 1120938174 /nfs/dbraw/zinc/93/81/74/1120938174.db2.gz LZMYWLIEROVUAK-UHFFFAOYSA-N 0 3 368.477 4.016 20 10 FICDHN CC(C)c1ccc(C[C@H]2CC[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)cc1 ZINC000763392409 1121575602 /nfs/dbraw/zinc/57/56/02/1121575602.db2.gz HLDKWDUXMLCIEJ-VGSWGCGISA-N 0 3 367.489 4.006 20 10 FICDHN CC(C)c1ccc(C[C@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)cc1 ZINC000763392409 1121575609 /nfs/dbraw/zinc/57/56/09/1121575609.db2.gz HLDKWDUXMLCIEJ-VGSWGCGISA-N 0 3 367.489 4.006 20 10 FICDHN CCOc1cccc(CN(Cc2ccco2)Cc2ccccc2O)c1O ZINC000154722901 1122642109 /nfs/dbraw/zinc/64/21/09/1122642109.db2.gz RMFFKXPDLNPFIB-UHFFFAOYSA-N 0 3 353.418 4.292 20 10 FICDHN Cc1cc(N(C)C)ccc1CNCc1ccc(Br)c(F)c1 ZINC000763432242 1122777372 /nfs/dbraw/zinc/77/73/72/1122777372.db2.gz FZUQHBSFKUEZII-UHFFFAOYSA-N 0 3 351.263 4.252 20 10 FICDHN CCN(C)c1ccc([C@H](C)NCc2ccc(OCC(F)(F)F)nc2)cc1 ZINC000154956726 1122958648 /nfs/dbraw/zinc/95/86/48/1122958648.db2.gz XBKXYJVMQDFGMU-AWEZNQCLSA-N 0 3 367.415 4.330 20 10 FICDHN C[C@H]1C[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)CC(C)(C)O1 ZINC000920866216 1123532151 /nfs/dbraw/zinc/53/21/51/1123532151.db2.gz YFRREHFSGRIVLW-LBPRGKRZSA-N 0 3 364.283 4.307 20 10 FICDHN C[C@H]1C[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)CC(C)(C)O1 ZINC000920866216 1123532153 /nfs/dbraw/zinc/53/21/53/1123532153.db2.gz YFRREHFSGRIVLW-LBPRGKRZSA-N 0 3 364.283 4.307 20 10 FICDHN [O-]c1ccc(F)cc1C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000180536710 1124356011 /nfs/dbraw/zinc/35/60/11/1124356011.db2.gz DLSAVJSPDKQKRP-UHFFFAOYSA-N 0 3 365.330 4.026 20 10 FICDHN CC[C@H](Nc1ccc(N2CCN(C)CC2)cc1)c1ccc(N(C)C)cc1 ZINC000182632864 1125588626 /nfs/dbraw/zinc/58/86/26/1125588626.db2.gz PZNHUHVFNWPBPP-QFIPXVFZSA-N 0 3 352.526 4.068 20 10 FICDHN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000155307976 1080782150 /nfs/dbraw/zinc/78/21/50/1080782150.db2.gz JZUAXAYPKBWWLW-IAGOWNOFSA-N 0 3 369.465 4.152 20 10 FICDHN CCN(C[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1)CC(F)(F)F ZINC000177639541 1081362387 /nfs/dbraw/zinc/36/23/87/1081362387.db2.gz AZBQWRRLFXMCLK-HNNXBMFYSA-N 0 3 366.427 4.252 20 10 FICDHN CCN(C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1)CC(F)(F)F ZINC000177639541 1081362393 /nfs/dbraw/zinc/36/23/93/1081362393.db2.gz AZBQWRRLFXMCLK-HNNXBMFYSA-N 0 3 366.427 4.252 20 10 FICDHN O=C(NC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1)C1CCCCC1 ZINC000065943884 1083843755 /nfs/dbraw/zinc/84/37/55/1083843755.db2.gz UBEXLWZUMOSXCK-UHFFFAOYSA-N 0 3 366.505 4.206 20 10 FICDHN COc1ccc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1F ZINC000162260540 1083934951 /nfs/dbraw/zinc/93/49/51/1083934951.db2.gz TXZPDNSDZLPMNL-JKSUJKDBSA-N 0 3 358.457 4.083 20 10 FICDHN COc1ccc(CNCc2ccccc2OC2CCCC2)c(O)c1OC ZINC000892618793 1085072578 /nfs/dbraw/zinc/07/25/78/1085072578.db2.gz NGCSEEOGPMMADJ-UHFFFAOYSA-N 0 3 357.450 4.021 20 10 FICDHN CC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cc(C)ccc1OC ZINC000093399360 1085777305 /nfs/dbraw/zinc/77/73/05/1085777305.db2.gz XBMSYHXQXKYQSR-HXUWFJFHSA-N 0 3 372.484 4.220 20 10 FICDHN COc1cccc(CNCc2cc(Br)ccc2Cl)c1O ZINC000722368035 1086629010 /nfs/dbraw/zinc/62/90/10/1086629010.db2.gz BKEMIJSVCXFHFF-UHFFFAOYSA-N 0 3 356.647 4.107 20 10 FICDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000782843471 1088236256 /nfs/dbraw/zinc/23/62/56/1088236256.db2.gz PWUCKWJUXRAGCC-INIZCTEOSA-N 0 3 352.409 4.123 20 10 FICDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000782843471 1088236269 /nfs/dbraw/zinc/23/62/69/1088236269.db2.gz PWUCKWJUXRAGCC-INIZCTEOSA-N 0 3 352.409 4.123 20 10 FICDHN C[C@@H]([NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1)c1cc(F)ccc1[O-] ZINC000185253907 1090526955 /nfs/dbraw/zinc/52/69/55/1090526955.db2.gz LJOOFYJAONSIHA-CQSZACIVSA-N 0 3 365.408 4.029 20 10 FICDHN CC[C@H]([NH2+]Cc1ccc(-n2nc(C)cc2C)nc1)c1ccc(C)cc1[O-] ZINC000279966081 1093803506 /nfs/dbraw/zinc/80/35/06/1093803506.db2.gz CPNCMPHEZJGFED-IBGZPJMESA-N 0 3 350.466 4.139 20 10 FICDHN COC(C)(C)C[N@H+](C)Cc1c([O-])ccc2cc(Br)ccc21 ZINC000758413036 1093919127 /nfs/dbraw/zinc/91/91/27/1093919127.db2.gz XMMUCFLDBOVQLM-UHFFFAOYSA-N 0 3 352.272 4.165 20 10 FICDHN COC(C)(C)C[N@@H+](C)Cc1c([O-])ccc2cc(Br)ccc21 ZINC000758413036 1093919130 /nfs/dbraw/zinc/91/91/30/1093919130.db2.gz XMMUCFLDBOVQLM-UHFFFAOYSA-N 0 3 352.272 4.165 20 10 FICDHN CCN1CC[C@H]([NH2+][C@H](C)c2ccccc2[O-])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000783533701 1094420424 /nfs/dbraw/zinc/42/04/24/1094420424.db2.gz VJYTVWJGDUJJEN-ZINOCKGTSA-N 0 3 364.411 4.296 20 10 FICDHN C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1)c1ccccc1[O-] ZINC000710385594 1094772159 /nfs/dbraw/zinc/77/21/59/1094772159.db2.gz SWTTZYKWLWNBFI-HOTGVXAUSA-N 0 3 362.514 4.469 20 10 FICDHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C)CC(F)F)c1[O-] ZINC000848555133 1095869677 /nfs/dbraw/zinc/86/96/77/1095869677.db2.gz LWAHHJXDABHCFX-RKDXNWHRSA-N 0 3 352.219 4.105 20 10 FICDHN CC[C@H]([NH2+]C[C@@H]1CSCCN1Cc1ccccc1)c1ccccc1[O-] ZINC000760017660 1096136494 /nfs/dbraw/zinc/13/64/94/1096136494.db2.gz NNKXZDHTSGUJBN-QUCCMNQESA-N 0 3 356.535 4.051 20 10 FICDHN COc1ccc(CNCc2cc(C)n(-c3ccccc3)c2C)cc1OC ZINC000017310677 1101034587 /nfs/dbraw/zinc/03/45/87/1101034587.db2.gz POBNJGMHCAKZGQ-UHFFFAOYSA-N 0 3 350.462 4.401 20 10 FICDHN CCOCc1cc(CNC(C)(C)c2ccc(OC)c(F)c2)ccc1OC ZINC000527782085 1109823432 /nfs/dbraw/zinc/82/34/32/1109823432.db2.gz SJLCNLRPUCBBIA-UHFFFAOYSA-N 0 3 361.457 4.404 20 10 FICDHN COc1ccc(C)cc1[C@H](C)NCc1ccc(N2CCSCC2)cc1 ZINC000163603249 1113983114 /nfs/dbraw/zinc/98/31/14/1113983114.db2.gz ALVKCUQXUQHZRV-KRWDZBQOSA-N 0 3 356.535 4.408 20 10 FICDHN Cc1cc2c(cc1C)[C@@H](NCc1ccc(N3CCOCC3)cc1)CCCO2 ZINC000151067426 1114288865 /nfs/dbraw/zinc/28/88/65/1114288865.db2.gz CITMLQWARRWWJN-QFIPXVFZSA-N 0 3 366.505 4.144 20 10 FICDHN CC[C@H]([NH2+]Cc1ccc(C)cc1OC[C@H]1CCCO1)c1ccccc1[O-] ZINC000156336651 1114417712 /nfs/dbraw/zinc/41/77/12/1114417712.db2.gz BPVPRSOOPGTPJM-QUCCMNQESA-N 0 3 355.478 4.499 20 10 FICDHN C[C@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(N2CCCCC2)c(F)c1 ZINC000166572669 1115037571 /nfs/dbraw/zinc/03/75/71/1115037571.db2.gz MYOLOSTVDRBPFU-UZQPLGKSSA-N 0 3 354.469 4.125 20 10 FICDHN COc1cc(Cl)cc(C[NH+]2CCC3(CC2)OCc2ccccc23)c1[O-] ZINC000761200946 1115615607 /nfs/dbraw/zinc/61/56/07/1115615607.db2.gz BLGUBROSQZLLQZ-UHFFFAOYSA-N 0 3 359.853 4.076 20 10 FICDHN COc1cc(Cl)cc(C[NH2+]Cc2cccc(Br)c2)c1[O-] ZINC000228672636 1115706559 /nfs/dbraw/zinc/70/65/59/1115706559.db2.gz CLUBUTDWINJASF-UHFFFAOYSA-N 0 3 356.647 4.107 20 10 FICDHN COc1cc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1F ZINC000153228096 1120370690 /nfs/dbraw/zinc/37/06/90/1120370690.db2.gz HODSWBDXYABCOT-CVEARBPZSA-N 0 3 358.457 4.083 20 10 FICDHN Fc1cc(CN[C@H]2CCCc3ccc(Cl)cc32)ccc1N1CCOCC1 ZINC000762473906 1120913165 /nfs/dbraw/zinc/91/31/65/1120913165.db2.gz AWMSDMBTUACCLQ-FQEVSTJZSA-N 0 3 374.887 4.483 20 10 FICDHN COc1ccc(CNCc2ccc(N(C)Cc3cccs3)cc2)cc1O ZINC001649025097 1121242702 /nfs/dbraw/zinc/24/27/02/1121242702.db2.gz IHZQDELHJWULFQ-UHFFFAOYSA-N 0 3 368.502 4.389 20 10 FICDHN COc1cc(CN(C)Cc2ccc3c(c2)OCO3)c(O)c(C(C)(C)C)c1 ZINC000918068840 1122537012 /nfs/dbraw/zinc/53/70/12/1122537012.db2.gz CUJXRAJIBKHXQK-UHFFFAOYSA-N 0 3 357.450 4.059 20 10 FICDHN CCOc1ccc(O)c(CN(Cc2ccco2)Cc2ccccc2O)c1 ZINC000154717547 1122631396 /nfs/dbraw/zinc/63/13/96/1122631396.db2.gz GAVVYGFAZSYVTB-UHFFFAOYSA-N 0 3 353.418 4.292 20 10 FICDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000180226341 1124268569 /nfs/dbraw/zinc/26/85/69/1124268569.db2.gz HBDCBXRMPZRFJG-SNVBAGLBSA-N 0 3 360.376 4.386 20 10 FICDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000180226341 1124268572 /nfs/dbraw/zinc/26/85/72/1124268572.db2.gz HBDCBXRMPZRFJG-SNVBAGLBSA-N 0 3 360.376 4.386 20 10 FICDHN Cc1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 ZINC000069714822 1125121317 /nfs/dbraw/zinc/12/13/17/1125121317.db2.gz XVPRXGYQGXFTCM-UHFFFAOYSA-N 0 3 364.411 4.140 20 10 FICDHN COc1ccc(O)c([C@@H](C)NCc2ccccc2OCC(F)(F)F)c1 ZINC000182449673 1125500973 /nfs/dbraw/zinc/50/09/73/1125500973.db2.gz SXDBPSYAGXTRAO-GFCCVEGCSA-N 0 3 355.356 4.193 20 10 FICDHN COc1cccc2c1OC[C@H]([NH2+]Cc1cc(-c3ccccc3)ccc1[O-])C2 ZINC000728300730 1082013513 /nfs/dbraw/zinc/01/35/13/1082013513.db2.gz YNUJNRZUPFSGOO-HXUWFJFHSA-N 0 3 361.441 4.161 20 10 FICDHN C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])c1ccc2c(c1)CC(=O)N2C ZINC000728302819 1082046798 /nfs/dbraw/zinc/04/67/98/1082046798.db2.gz YFVDWHXRWSPGSS-MRXNPFEDSA-N 0 3 372.468 4.429 20 10 FICDHN CC[C@H]([NH2+]CCCc1nnc(SC)n1CC(C)C)c1ccccc1[O-] ZINC000155824034 1082093250 /nfs/dbraw/zinc/09/32/50/1082093250.db2.gz RBTGOGJVXPOIKH-INIZCTEOSA-N 0 3 362.543 4.035 20 10 FICDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000179568149 1083566677 /nfs/dbraw/zinc/56/66/77/1083566677.db2.gz WFFUPCLYKCNKSP-MRXNPFEDSA-N 0 3 369.852 4.475 20 10 FICDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000179568149 1083566689 /nfs/dbraw/zinc/56/66/89/1083566689.db2.gz WFFUPCLYKCNKSP-MRXNPFEDSA-N 0 3 369.852 4.475 20 10 FICDHN COc1ccc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1F ZINC000162260670 1083935565 /nfs/dbraw/zinc/93/55/65/1083935565.db2.gz TXZPDNSDZLPMNL-HZPDHXFCSA-N 0 3 358.457 4.083 20 10 FICDHN COc1cc([C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000157420653 1084380484 /nfs/dbraw/zinc/38/04/84/1084380484.db2.gz FQMRRAGCZXLGKB-LSDHHAIUSA-N 0 3 358.482 4.190 20 10 FICDHN C[C@@H](N[C@H](C)c1ccc(N2CCCCC2)cc1)C(=O)NCc1ccccc1 ZINC000161178684 1084753991 /nfs/dbraw/zinc/75/39/91/1084753991.db2.gz JENSFZKKVDLPQR-RTBURBONSA-N 0 3 365.521 4.032 20 10 FICDHN CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CC12CCC2 ZINC000313234564 1085290722 /nfs/dbraw/zinc/29/07/22/1085290722.db2.gz TWPXTSYJNSPWJK-DLBZAZTESA-N 0 3 372.509 4.291 20 10 FICDHN C[C@H]([NH2+]CCCN1CCCC[C@@H]1C)c1cc(Br)cc(F)c1[O-] ZINC000756363525 1090128491 /nfs/dbraw/zinc/12/84/91/1090128491.db2.gz OZYDFKLDXQDKGZ-STQMWFEESA-N 0 3 373.310 4.209 20 10 FICDHN C[N@H+](CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)Cc1ccccc1[O-] ZINC001167734578 1090270198 /nfs/dbraw/zinc/27/01/98/1090270198.db2.gz OERBXGJAZCGOMH-JLYLLQBASA-N 0 3 374.525 4.392 20 10 FICDHN C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)Cc1ccccc1[O-] ZINC001167734578 1090270204 /nfs/dbraw/zinc/27/02/04/1090270204.db2.gz OERBXGJAZCGOMH-JLYLLQBASA-N 0 3 374.525 4.392 20 10 FICDHN Cc1noc2ncc(CNCc3ccc(N4CCC(C)CC4)cc3)cc12 ZINC000894250184 1094905688 /nfs/dbraw/zinc/90/56/88/1094905688.db2.gz GITYBZKHGXDJJG-UHFFFAOYSA-N 0 3 350.466 4.057 20 10 FICDHN COC1CCN(c2ccc(CN[C@H](c3ncccc3C)C(C)C)cc2)CC1 ZINC000295012044 1101025965 /nfs/dbraw/zinc/02/59/65/1101025965.db2.gz TVTLEANLIWBSNN-QFIPXVFZSA-N 0 3 367.537 4.492 20 10 FICDHN CN(C[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1)C(=O)OC(C)(C)C ZINC000729464155 1102635820 /nfs/dbraw/zinc/63/58/20/1102635820.db2.gz SCOLHRMLCRRTPJ-INIZCTEOSA-N 0 3 370.493 4.234 20 10 FICDHN CN(C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1)C(=O)OC(C)(C)C ZINC000729464155 1102635825 /nfs/dbraw/zinc/63/58/25/1102635825.db2.gz SCOLHRMLCRRTPJ-INIZCTEOSA-N 0 3 370.493 4.234 20 10 FICDHN C[C@@H]([NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CC(F)(F)C1 ZINC000529550882 1110287456 /nfs/dbraw/zinc/28/74/56/1110287456.db2.gz QJJIKXUYMPDWGE-WBMJQRKESA-N 0 3 358.860 4.033 20 10 FICDHN Cc1cc(Br)cc(C[NH2+][C@@H](c2ccccn2)C2CCC2)c1[O-] ZINC000529643879 1110298844 /nfs/dbraw/zinc/29/88/44/1110298844.db2.gz KEEUCLZJGSKIEC-QGZVFWFLSA-N 0 3 361.283 4.489 20 10 FICDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(N2CCSCC2)cc1 ZINC000163606916 1113993162 /nfs/dbraw/zinc/99/31/62/1113993162.db2.gz ULGQAXGCJJACKF-MRXNPFEDSA-N 0 3 371.506 4.307 20 10 FICDHN Cc1c([C@@H](C)NCc2ccc(N3CCSCC3)cc2)cccc1[N+](=O)[O-] ZINC000163607221 1113993918 /nfs/dbraw/zinc/99/39/18/1113993918.db2.gz CVLKXKPWGVKPPI-MRXNPFEDSA-N 0 3 371.506 4.307 20 10 FICDHN CSc1ccc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)cc1F ZINC000151063044 1114288175 /nfs/dbraw/zinc/28/81/75/1114288175.db2.gz QODCLNBCWNUOIG-OAHLLOKOSA-N 0 3 360.498 4.235 20 10 FICDHN CC[C@@H]([NH2+]Cc1ccc(C)cc1OC[C@@H]1CCOC1)c1ccccc1[O-] ZINC000156309503 1114382981 /nfs/dbraw/zinc/38/29/81/1114382981.db2.gz DIQYFMXRPJUTPI-YLJYHZDGSA-N 0 3 355.478 4.357 20 10 FICDHN CC[C@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1[O-] ZINC000156446408 1114442228 /nfs/dbraw/zinc/44/22/28/1114442228.db2.gz HCFQLMNOBKGYMQ-FQEVSTJZSA-N 0 3 352.478 4.259 20 10 FICDHN C[C@@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(N2CCCCCC2)cc1 ZINC000166609493 1115053269 /nfs/dbraw/zinc/05/32/69/1115053269.db2.gz HVAIEANQOQZMON-MQNAVGNWSA-N 0 3 350.506 4.376 20 10 FICDHN CCN(C)c1ccc([C@H](C)NCc2ccc(C)cc2OCCOC)cc1 ZINC000167627124 1115311961 /nfs/dbraw/zinc/31/19/61/1115311961.db2.gz SMPCHZYYMXZACP-SFHVURJKSA-N 0 3 356.510 4.327 20 10 FICDHN COc1cc(Cl)cc(CN(C)Cc2ccccc2N2CCCC2)c1O ZINC000761183445 1115596554 /nfs/dbraw/zinc/59/65/54/1115596554.db2.gz KFHXOSVJHZJWJP-UHFFFAOYSA-N 0 3 360.885 4.286 20 10 FICDHN COc1cc(Cl)cc(CN(Cc2cccs2)C[C@H]2CCCO2)c1O ZINC000761184224 1115598686 /nfs/dbraw/zinc/59/86/86/1115598686.db2.gz UEWSSISIBIZVMQ-OAHLLOKOSA-N 0 3 367.898 4.297 20 10 FICDHN COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)c1[O-] ZINC000761195837 1115616010 /nfs/dbraw/zinc/61/60/10/1115616010.db2.gz PWXIHBCUWLRRFZ-IEBWSBKVSA-N 0 3 361.869 4.142 20 10 FICDHN COc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)c1[O-] ZINC000761195837 1115616012 /nfs/dbraw/zinc/61/60/12/1115616012.db2.gz PWXIHBCUWLRRFZ-IEBWSBKVSA-N 0 3 361.869 4.142 20 10 FICDHN COc1cc(Cl)cc(C[N@H+](Cc2ccccc2)[C@H](CO)C(C)C)c1[O-] ZINC000761203684 1115620184 /nfs/dbraw/zinc/62/01/84/1115620184.db2.gz XKHKXPNHPFEUDP-GOSISDBHSA-N 0 3 363.885 4.073 20 10 FICDHN COc1cc(Cl)cc(C[N@@H+](Cc2ccccc2)[C@H](CO)C(C)C)c1[O-] ZINC000761203684 1115620187 /nfs/dbraw/zinc/62/01/87/1115620187.db2.gz XKHKXPNHPFEUDP-GOSISDBHSA-N 0 3 363.885 4.073 20 10 FICDHN COc1cc(Cl)cc(C[NH2+]C2(CCOCc3ccccc3)CC2)c1[O-] ZINC000761214573 1115643524 /nfs/dbraw/zinc/64/35/24/1115643524.db2.gz DTDGAPMDARTHJY-UHFFFAOYSA-N 0 3 361.869 4.283 20 10 FICDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1 ZINC000173330789 1116051157 /nfs/dbraw/zinc/05/11/57/1116051157.db2.gz CVUXYADJUYUNOX-OAHLLOKOSA-N 0 3 364.411 4.393 20 10 FICDHN O=C1OCCN1c1cccc2c1CC[N@@H+](Cc1c([O-])ccc3ccccc31)C2 ZINC000173383973 1116055872 /nfs/dbraw/zinc/05/58/72/1116055872.db2.gz LXYATFBPYKNAGS-UHFFFAOYSA-N 0 3 374.440 4.060 20 10 FICDHN O=C1OCCN1c1cccc2c1CC[N@H+](Cc1c([O-])ccc3ccccc31)C2 ZINC000173383973 1116055873 /nfs/dbraw/zinc/05/58/73/1116055873.db2.gz LXYATFBPYKNAGS-UHFFFAOYSA-N 0 3 374.440 4.060 20 10 FICDHN C[C@H](NCc1ccc([S@](C)=O)cc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090221156 1118738283 /nfs/dbraw/zinc/73/82/83/1118738283.db2.gz XRTBGJKSVKHSJV-YHAMSUFESA-N 0 3 374.525 4.404 20 10 FICDHN COc1cccc([C@@H](C)NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000916839563 1121882412 /nfs/dbraw/zinc/88/24/12/1121882412.db2.gz GMIGBZZUBDCCHZ-MRXNPFEDSA-N 0 3 369.465 4.445 20 10 FICDHN Oc1cc2c(cc1CNC1(c3ccc(F)cc3F)CCCCC1)OCO2 ZINC000765794002 1122002838 /nfs/dbraw/zinc/00/28/38/1122002838.db2.gz BISUTFGPKQXANB-UHFFFAOYSA-N 0 3 361.388 4.348 20 10 FICDHN O=C(Nc1cccc(C[NH2+]Cc2ccccc2[O-])c1)c1ccc(F)cc1 ZINC000238107838 1124281572 /nfs/dbraw/zinc/28/15/72/1124281572.db2.gz JLRCICDZAQGJKI-UHFFFAOYSA-N 0 3 350.393 4.073 20 10 FICDHN Oc1ccc(-c2ccccc2)cc1CNCc1cccnc1OCC(F)F ZINC000763524947 1125427030 /nfs/dbraw/zinc/42/70/30/1125427030.db2.gz HDCDCNIEQLFGBO-UHFFFAOYSA-N 0 3 370.399 4.388 20 10 FICDHN CCC(=O)N1CCCN(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1 ZINC000748067535 1079729818 /nfs/dbraw/zinc/72/98/18/1079729818.db2.gz SUBHLLZFOIQHMR-UHFFFAOYSA-N 0 3 374.569 4.432 20 10 FICDHN CC[C@H]([NH2+]C1CCN(C(=O)c2ccc(C)cc2)CC1)c1ccccc1[O-] ZINC000155592137 1081553352 /nfs/dbraw/zinc/55/33/52/1081553352.db2.gz JDSLTPJQKJSJMV-FQEVSTJZSA-N 0 3 352.478 4.046 20 10 FICDHN C[C@H](NCc1ccc(N2CCCCCC2)nc1)c1ccc(N(C)C)cc1 ZINC000160526198 1081984837 /nfs/dbraw/zinc/98/48/37/1081984837.db2.gz GJGXWZYTEWQAAB-SFHVURJKSA-N 0 3 352.526 4.379 20 10 FICDHN COc1cccc(CNC(C)(C)c2ccccc2Br)c1O ZINC000179329651 1083380150 /nfs/dbraw/zinc/38/01/50/1083380150.db2.gz CYHIZBJTRFLCNV-UHFFFAOYSA-N 0 3 350.256 4.188 20 10 FICDHN COc1ccc(C)cc1[C@H](C)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000151574613 1083723892 /nfs/dbraw/zinc/72/38/92/1083723892.db2.gz OHJZNDZKJBJOAW-SFHVURJKSA-N 0 3 368.521 4.063 20 10 FICDHN C[C@H](NCc1ccc(Cl)s1)c1ccc(N2CCOCC2)c(F)c1 ZINC000177862710 1084393785 /nfs/dbraw/zinc/39/37/85/1084393785.db2.gz PPCWXKNMUCMVKK-LBPRGKRZSA-N 0 3 354.878 4.228 20 10 FICDHN Cc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)c(OC[C@@H]2CCOC2)c1 ZINC000167177380 1088639382 /nfs/dbraw/zinc/63/93/82/1088639382.db2.gz AJSBLFHEBWEHFP-RBUKOAKNSA-N 0 3 368.521 4.327 20 10 FICDHN C[C@H]([NH2+]Cc1cccc(COC2CCOCC2)c1)c1cc(F)ccc1[O-] ZINC000185429748 1090542673 /nfs/dbraw/zinc/54/26/73/1090542673.db2.gz SAEBGCFWVCMVRW-HNNXBMFYSA-N 0 3 359.441 4.078 20 10 FICDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)c([O-])c1 ZINC000185477340 1090546871 /nfs/dbraw/zinc/54/68/71/1090546871.db2.gz VYIOWMBHQSDHDN-LSDHHAIUSA-N 0 3 362.420 4.232 20 10 FICDHN C[C@@H](NCc1ccc(CO)c(F)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000178561071 1091866417 /nfs/dbraw/zinc/86/64/17/1091866417.db2.gz USPAJJFSZSYGIT-OAHLLOKOSA-N 0 3 360.448 4.298 20 10 FICDHN CCCOc1ccc(CN[C@H](C)c2ccc(Br)cn2)c(O)c1 ZINC000279620145 1091944673 /nfs/dbraw/zinc/94/46/73/1091944673.db2.gz ARUXYAUUNVTDMW-GFCCVEGCSA-N 0 3 365.271 4.189 20 10 FICDHN CC[C@@H](N[C@H](CCSC)c1nnc2ccccn21)c1ccc(C)cc1O ZINC000280287829 1094321809 /nfs/dbraw/zinc/32/18/09/1094321809.db2.gz YZFAXBMVPNCHCW-IAGOWNOFSA-N 0 3 370.522 4.278 20 10 FICDHN CC[C@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(C)cc1[O-] ZINC000280278025 1094323152 /nfs/dbraw/zinc/32/31/52/1094323152.db2.gz YIEYAIMPDWZYND-KXBFYZLASA-N 0 3 354.450 4.459 20 10 FICDHN CCn1cc([C@@H](C)[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])cn1 ZINC000295999239 1101242714 /nfs/dbraw/zinc/24/27/14/1101242714.db2.gz QFVNWXQPPFHXST-NEPJUHHUSA-N 0 3 352.276 4.091 20 10 FICDHN Cc1ccc([C@H](C)[NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c([O-])c1 ZINC000760041109 1105036710 /nfs/dbraw/zinc/03/67/10/1105036710.db2.gz VUTMBKNEXVRWJM-USCONSEESA-N 0 3 357.469 4.264 20 10 FICDHN C[C@H](c1ccccc1[O-])[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000527939821 1109863551 /nfs/dbraw/zinc/86/35/51/1109863551.db2.gz SWJPMJYTMXGDAD-OAHLLOKOSA-N 0 3 355.482 4.449 20 10 FICDHN COc1ccc(O)c(CN[C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)c1 ZINC000529669025 1110302876 /nfs/dbraw/zinc/30/28/76/1110302876.db2.gz KSVKXBWIEZKGFL-KRWDZBQOSA-N 0 3 369.292 4.100 20 10 FICDHN Cc1c2ccccc2n(C)c1CN[C@@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000479456761 1112030190 /nfs/dbraw/zinc/03/01/90/1112030190.db2.gz QKMGQUOYKQBIPK-QGZVFWFLSA-N 0 3 351.425 4.189 20 10 FICDHN CCc1nc2c(s1)[C@H](NCc1ccc(N3CCSCC3)cc1)CCC2 ZINC000163608391 1113996853 /nfs/dbraw/zinc/99/68/53/1113996853.db2.gz ZCELLQWLRINVHN-QGZVFWFLSA-N 0 3 373.591 4.426 20 10 FICDHN COCCCN(Cc1ccncc1)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000164305019 1114472624 /nfs/dbraw/zinc/47/26/24/1114472624.db2.gz JDEYLJAVAVOCLH-UHFFFAOYSA-N 0 3 372.509 4.132 20 10 FICDHN CC1CCN(c2cccc(NC(=O)c3cccc(CN(C)C)c3)c2)CC1 ZINC000156699417 1114500984 /nfs/dbraw/zinc/50/09/84/1114500984.db2.gz YYDGESVTDRXWMF-UHFFFAOYSA-N 0 3 351.494 4.237 20 10 FICDHN COc1cc(Cl)cc(C[N@H+](Cc2ccccc2)[C@@H](CO)C(C)C)c1[O-] ZINC000761203693 1115620704 /nfs/dbraw/zinc/62/07/04/1115620704.db2.gz XKHKXPNHPFEUDP-SFHVURJKSA-N 0 3 363.885 4.073 20 10 FICDHN COc1cc(Cl)cc(C[N@@H+](Cc2ccccc2)[C@@H](CO)C(C)C)c1[O-] ZINC000761203693 1115620707 /nfs/dbraw/zinc/62/07/07/1115620707.db2.gz XKHKXPNHPFEUDP-SFHVURJKSA-N 0 3 363.885 4.073 20 10 FICDHN CCOc1cccc([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000151533096 1116356434 /nfs/dbraw/zinc/35/64/34/1116356434.db2.gz VNQCPMUZXQWCAB-INIZCTEOSA-N 0 3 372.484 4.036 20 10 FICDHN Cc1cc([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc(C)c1F ZINC000151550774 1118270527 /nfs/dbraw/zinc/27/05/27/1118270527.db2.gz BDSGOTPHCHMSAK-INIZCTEOSA-N 0 3 374.475 4.394 20 10 FICDHN COc1ccc(N2CCC(N[C@H](COCC(C)C)c3ccco3)CC2)cc1 ZINC000152596437 1119458906 /nfs/dbraw/zinc/45/89/06/1119458906.db2.gz PCESWRXQURUOBB-OAQYLSRUSA-N 0 3 372.509 4.261 20 10 FICDHN COCCN(Cc1ccccc1)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000915808511 1121065153 /nfs/dbraw/zinc/06/51/53/1121065153.db2.gz XJUGEGXCKYSNQX-UHFFFAOYSA-N 0 3 357.494 4.347 20 10 FICDHN C[C@@H](NCc1cccnc1OCC(F)F)c1cc2c(cc1O)CCCC2 ZINC000186199318 1121634911 /nfs/dbraw/zinc/63/49/11/1121634911.db2.gz HKKOVPTWGLPTHU-CYBMUJFWSA-N 0 3 362.420 4.161 20 10 FICDHN COC(=O)CC[C@H](NCc1c(C)c2ccccc2n1C)c1ccccc1 ZINC001649089972 1121715667 /nfs/dbraw/zinc/71/56/67/1121715667.db2.gz BGVFPFPADNRQTF-IBGZPJMESA-N 0 3 350.462 4.271 20 10 FICDHN CCc1ccc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1 ZINC000916835875 1121878001 /nfs/dbraw/zinc/87/80/01/1121878001.db2.gz BHAIHKLGKHPJRT-IRXDYDNUSA-N 0 3 356.485 4.292 20 10 FICDHN CCN(CC)c1ccc(CNc2ccc(N3CCN(C)CC3)cc2C)cc1 ZINC000916839102 1121882301 /nfs/dbraw/zinc/88/23/01/1121882301.db2.gz XAHGFQNDQLHXTA-UHFFFAOYSA-N 0 3 366.553 4.205 20 10 FICDHN [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1CCCSCC1 ZINC000917465667 1122327229 /nfs/dbraw/zinc/32/72/29/1122327229.db2.gz PRFMRCCEJYZDHY-UHFFFAOYSA-N 0 3 352.297 4.247 20 10 FICDHN [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1CCCSCC1 ZINC000917465667 1122327235 /nfs/dbraw/zinc/32/72/35/1122327235.db2.gz PRFMRCCEJYZDHY-UHFFFAOYSA-N 0 3 352.297 4.247 20 10 FICDHN C[C@@H](N[C@@H]1CCc2c1cc(F)cc2F)c1ccc(N2CCOCC2)cc1 ZINC000154637079 1122544455 /nfs/dbraw/zinc/54/44/55/1122544455.db2.gz DQMSYIUBIWQOPL-SPLOXXLWSA-N 0 3 358.432 4.140 20 10 FICDHN CCN(CC)c1ccc(CNC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000920082031 1123336536 /nfs/dbraw/zinc/33/65/36/1123336536.db2.gz KUXBEGVEDJHRBU-UHFFFAOYSA-N 0 3 365.521 4.059 20 10 FICDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000180027913 1124191731 /nfs/dbraw/zinc/19/17/31/1124191731.db2.gz QVAMALHMMWYVGD-AWEZNQCLSA-N 0 3 371.387 4.100 20 10 FICDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000180027913 1124191743 /nfs/dbraw/zinc/19/17/43/1124191743.db2.gz QVAMALHMMWYVGD-AWEZNQCLSA-N 0 3 371.387 4.100 20 10 FICDHN COc1cccc(N2CCN(Cc3cccc(C(C)(C)C)c3O)CC2)c1 ZINC001143103601 1125255355 /nfs/dbraw/zinc/25/53/55/1125255355.db2.gz GPFDFVXMXLQLDK-UHFFFAOYSA-N 0 3 354.494 4.021 20 10 FICDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)Cc1cccc(Cl)c1)C1CCCC1 ZINC001167353145 1081591841 /nfs/dbraw/zinc/59/18/41/1081591841.db2.gz FZLQTQZGHSLEAA-FQEVSTJZSA-N 0 3 359.897 4.394 20 10 FICDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)Cc1cccc(Cl)c1)C1CCCC1 ZINC001167353145 1081591847 /nfs/dbraw/zinc/59/18/47/1081591847.db2.gz FZLQTQZGHSLEAA-FQEVSTJZSA-N 0 3 359.897 4.394 20 10 FICDHN CC[C@H](C)NC(=O)c1cccc(CN[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000161068569 1083036377 /nfs/dbraw/zinc/03/63/77/1083036377.db2.gz QGBPHENRXYHINL-DLBZAZTESA-N 0 3 353.510 4.132 20 10 FICDHN CC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cc(C)ccc1OC ZINC000093399359 1085777055 /nfs/dbraw/zinc/77/70/55/1085777055.db2.gz XBMSYHXQXKYQSR-FQEVSTJZSA-N 0 3 372.484 4.220 20 10 FICDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc4ncccc4c3)c2)CC1 ZINC000162987527 1086614807 /nfs/dbraw/zinc/61/48/07/1086614807.db2.gz ZZZITSDHKAOZHC-UHFFFAOYSA-N 0 3 374.488 4.018 20 10 FICDHN CC[C@@H](NCc1ccc(-n2nc(C)cc2C)nc1)c1ccc(N(C)C)cc1 ZINC000162804391 1088000248 /nfs/dbraw/zinc/00/02/48/1088000248.db2.gz XRPXGKJMXOEVMM-OAQYLSRUSA-N 0 3 363.509 4.191 20 10 FICDHN C[C@@H]([NH2+]Cc1cccc(COC2CCOCC2)c1)c1cc(F)ccc1[O-] ZINC000185429766 1090542548 /nfs/dbraw/zinc/54/25/48/1090542548.db2.gz SAEBGCFWVCMVRW-OAHLLOKOSA-N 0 3 359.441 4.078 20 10 FICDHN CSc1ccccc1[C@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000194857542 1091423606 /nfs/dbraw/zinc/42/36/06/1091423606.db2.gz ZQTIGWCUMXFSRE-HNNXBMFYSA-N 0 3 360.498 4.235 20 10 FICDHN COc1ccc(N2CCCN(Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000108092875 1092140195 /nfs/dbraw/zinc/14/01/95/1092140195.db2.gz NGVWTIBLPVNTCT-UHFFFAOYSA-N 0 3 364.411 4.426 20 10 FICDHN CCN1CC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000783533700 1094419699 /nfs/dbraw/zinc/41/96/99/1094419699.db2.gz VJYTVWJGDUJJEN-JTBRQZTESA-N 0 3 364.411 4.296 20 10 FICDHN Cc1noc(C[C@H]([NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)c2ccccc2)n1 ZINC000760052151 1105218331 /nfs/dbraw/zinc/21/83/31/1105218331.db2.gz PZGQQRRUGZEHTO-ZLIFDBKOSA-N 0 3 367.424 4.345 20 10 FICDHN COc1cccc(CN[C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)c1O ZINC000527806514 1109832154 /nfs/dbraw/zinc/83/21/54/1109832154.db2.gz FYQQIJOKTXCWNH-MRXNPFEDSA-N 0 3 369.292 4.100 20 10 FICDHN [O-]c1ccc(F)cc1C[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000529637349 1110297490 /nfs/dbraw/zinc/29/74/90/1110297490.db2.gz FCXZNYZZUCAHKI-UHFFFAOYSA-N 0 3 359.445 4.027 20 10 FICDHN COc1cc(NC(C)=O)ccc1[C@H](C)NCc1c(C)c2ccccc2n1C ZINC000479440803 1112023790 /nfs/dbraw/zinc/02/37/90/1112023790.db2.gz UVCZBJCMPNVWLW-HNNXBMFYSA-N 0 3 365.477 4.305 20 10 FICDHN CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1)c1ccccc1[O-] ZINC000155876301 1113927901 /nfs/dbraw/zinc/92/79/01/1113927901.db2.gz GCWSFTPOLLYZGP-GOEBONIOSA-N 0 3 362.420 4.313 20 10 FICDHN CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1)c1ccccc1[O-] ZINC000155876096 1113927924 /nfs/dbraw/zinc/92/79/24/1113927924.db2.gz GCWSFTPOLLYZGP-GDBMZVCRSA-N 0 3 362.420 4.313 20 10 FICDHN C[C@H](NCc1ccc(N2CCSCC2)cc1)c1ccc(F)cc1N(C)C ZINC000163622269 1114241357 /nfs/dbraw/zinc/24/13/57/1114241357.db2.gz XPOMAVGPSXRIIA-INIZCTEOSA-N 0 3 373.541 4.296 20 10 FICDHN Clc1cccc2c1OCCC[C@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000151059869 1114287908 /nfs/dbraw/zinc/28/79/08/1114287908.db2.gz IKRYNSTXVQVFGJ-HXUWFJFHSA-N 0 3 372.896 4.180 20 10 FICDHN COCc1ccccc1CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000914581715 1120390149 /nfs/dbraw/zinc/39/01/49/1120390149.db2.gz NZZJXFDBVARADB-UHFFFAOYSA-N 0 3 369.465 4.021 20 10 FICDHN CCOc1cc(CN(C)Cc2cc(OC)ccc2O)ccc1OC(F)F ZINC000179680533 1124028368 /nfs/dbraw/zinc/02/83/68/1124028368.db2.gz HHLOWJIMRJRXCG-UHFFFAOYSA-N 0 3 367.392 4.033 20 10 FICDHN Cc1ccccc1[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)C(C)(C)C ZINC001168656454 1124528875 /nfs/dbraw/zinc/52/88/75/1124528875.db2.gz BZNHWBJUUVIQST-JOCHJYFZSA-N 0 3 367.537 4.054 20 10 FICDHN COc1ccc(O)c([C@H](C)NCc2ccccc2OCC(F)(F)F)c1 ZINC000182449655 1125500819 /nfs/dbraw/zinc/50/08/19/1125500819.db2.gz SXDBPSYAGXTRAO-LBPRGKRZSA-N 0 3 355.356 4.193 20 10 FICDHN C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183161961 1125763023 /nfs/dbraw/zinc/76/30/23/1125763023.db2.gz KJRNIXCERZIBCR-HRAATJIYSA-N 0 3 367.445 4.166 20 10 FICDHN Cc1c2ccccc2oc1[C@@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000048747232 1081835482 /nfs/dbraw/zinc/83/54/82/1081835482.db2.gz UACMZHALDQYITD-QGZVFWFLSA-N 0 3 350.462 4.429 20 10 FICDHN CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2)c1ccccc1[O-] ZINC000156160853 1082485491 /nfs/dbraw/zinc/48/54/91/1082485491.db2.gz REVYAEKLYJILNV-AZOIQLNYSA-N 0 3 354.450 4.304 20 10 FICDHN CCN(CC)c1ccc(CN[C@H](C)c2ccc([S@](C)=O)cc2)cc1F ZINC000158708844 1085004979 /nfs/dbraw/zinc/00/49/79/1085004979.db2.gz ITYOAIOKVATVTO-SGANQWHYSA-N 0 3 362.514 4.260 20 10 FICDHN CC(=O)Nc1ccc(CN[C@@H](C)c2ccc(N3CCCCCC3)cc2)cn1 ZINC000278976965 1086733945 /nfs/dbraw/zinc/73/39/45/1086733945.db2.gz CQYZEILJCPVYBP-KRWDZBQOSA-N 0 3 366.509 4.271 20 10 FICDHN CC[C@H]([NH2+]C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000311295556 1088535360 /nfs/dbraw/zinc/53/53/60/1088535360.db2.gz COYJSILFMIDZMV-LAUBAEHRSA-N 0 3 362.514 4.470 20 10 FICDHN Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@H](C)c3ccccc3[O-])c2)cc1 ZINC000183423357 1090413865 /nfs/dbraw/zinc/41/38/65/1090413865.db2.gz UJWRYCOCMWCBQR-GOSISDBHSA-N 0 3 374.484 4.481 20 10 FICDHN COc1ccc(C)cc1[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000162358481 1090739540 /nfs/dbraw/zinc/73/95/40/1090739540.db2.gz LYKNEYCBTGUIGJ-ROUUACIJSA-N 0 3 354.494 4.252 20 10 FICDHN CSc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000178592031 1092108951 /nfs/dbraw/zinc/10/89/51/1092108951.db2.gz JKXDGJCLTRTDLN-HNNXBMFYSA-N 0 3 360.498 4.235 20 10 FICDHN CC[C@@H]([NH2+][C@H](Cc1nc(C)no1)c1ccccc1)c1ccc(C)cc1[O-] ZINC000280012996 1094282228 /nfs/dbraw/zinc/28/22/28/1094282228.db2.gz GTLRAYSFQMHIOM-RTBURBONSA-N 0 3 351.450 4.417 20 10 FICDHN CC[C@@H](N[C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(C)cc1O ZINC000280267538 1094317070 /nfs/dbraw/zinc/31/70/70/1094317070.db2.gz XRADIZKBSVYULR-TZIWHRDSSA-N 0 3 353.441 4.404 20 10 FICDHN CC[C@H](N[C@H](CCSC)c1nnc2ccccn21)c1ccc(C)cc1O ZINC000280287826 1094321332 /nfs/dbraw/zinc/32/13/32/1094321332.db2.gz YZFAXBMVPNCHCW-DLBZAZTESA-N 0 3 370.522 4.278 20 10 FICDHN C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1)c1ccccc1[O-] ZINC000710386274 1094772290 /nfs/dbraw/zinc/77/22/90/1094772290.db2.gz SWTTZYKWLWNBFI-JKSUJKDBSA-N 0 3 362.514 4.469 20 10 FICDHN Cc1ccc([C@H](C)[NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)c([O-])c1 ZINC000760041108 1105036175 /nfs/dbraw/zinc/03/61/75/1105036175.db2.gz VUTMBKNEXVRWJM-SSKFGXFMSA-N 0 3 357.469 4.264 20 10 FICDHN [O-]c1cccc2c1[C@H]([NH+]1CCC(Cc3nc(C4CCCC4)no3)CC1)CC2 ZINC000527939775 1109863582 /nfs/dbraw/zinc/86/35/82/1109863582.db2.gz SCHSUFRQNSWQIC-GOSISDBHSA-N 0 3 367.493 4.375 20 10 FICDHN COc1ccc([C@@H](C)NCc2ccc(N3CCSCC3)cc2)c(OC)c1 ZINC000163624414 1114237389 /nfs/dbraw/zinc/23/73/89/1114237389.db2.gz QTLXJPAXUKFIEW-MRXNPFEDSA-N 0 3 372.534 4.108 20 10 FICDHN Clc1cccc2c1OCCC[C@@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000151059827 1114287779 /nfs/dbraw/zinc/28/77/79/1114287779.db2.gz IKRYNSTXVQVFGJ-FQEVSTJZSA-N 0 3 372.896 4.180 20 10 FICDHN C[C@@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(N2CCCCC2)c(F)c1 ZINC000166572779 1115037534 /nfs/dbraw/zinc/03/75/34/1115037534.db2.gz MYOLOSTVDRBPFU-KBJGYGKASA-N 0 3 354.469 4.125 20 10 FICDHN COc1cc2c(cc1C[N@H+](Cc1ccccc1[O-])C1CCCC1)OCO2 ZINC000761197222 1115614768 /nfs/dbraw/zinc/61/47/68/1115614768.db2.gz BJGVDFKEEVFZRJ-UHFFFAOYSA-N 0 3 355.434 4.074 20 10 FICDHN COc1cc2c(cc1C[N@@H+](Cc1ccccc1[O-])C1CCCC1)OCO2 ZINC000761197222 1115614769 /nfs/dbraw/zinc/61/47/69/1115614769.db2.gz BJGVDFKEEVFZRJ-UHFFFAOYSA-N 0 3 355.434 4.074 20 10 FICDHN COCCCC[N@H+](Cc1ccccc1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761195238 1115617124 /nfs/dbraw/zinc/61/71/24/1115617124.db2.gz KZKZFKDVXGAMCW-UHFFFAOYSA-N 0 3 363.885 4.483 20 10 FICDHN COCCCC[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761195238 1115617126 /nfs/dbraw/zinc/61/71/26/1115617126.db2.gz KZKZFKDVXGAMCW-UHFFFAOYSA-N 0 3 363.885 4.483 20 10 FICDHN COc1cc(Cl)cc(C[NH2+][C@H](C)[C@@H](O)c2c(F)cccc2Cl)c1[O-] ZINC000761206473 1115622166 /nfs/dbraw/zinc/62/21/66/1115622166.db2.gz HTLSCRFMSJZCAR-JDNHERCYSA-N 0 3 374.239 4.058 20 10 FICDHN [O-]c1ccccc1C[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000761224968 1115670516 /nfs/dbraw/zinc/67/05/16/1115670516.db2.gz DFNLORCWXFMNAM-UHFFFAOYSA-N 0 3 362.267 4.198 20 10 FICDHN CC1(C)Cc2occc2[C@@H](NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000151570895 1118787345 /nfs/dbraw/zinc/78/73/45/1118787345.db2.gz UAFXLGRVFMDHMD-NRFANRHFSA-N 0 3 368.521 4.292 20 10 FICDHN CCN(CC)C(=O)C1([NH2+]Cc2c([O-])ccc3ccccc32)CCCCC1 ZINC000763336965 1121339492 /nfs/dbraw/zinc/33/94/92/1121339492.db2.gz AJXOAOPRAWMQNM-UHFFFAOYSA-N 0 3 354.494 4.206 20 10 FICDHN CCN(CC)c1ccc(CNCc2ccccc2N2CCO[C@@H](C)C2)cc1 ZINC000917434980 1122313365 /nfs/dbraw/zinc/31/33/65/1122313365.db2.gz FSYQIHRDSXBCMW-IBGZPJMESA-N 0 3 367.537 4.048 20 10 FICDHN C[C@H](N[C@@H]1CCc2c1cc(F)cc2F)c1ccc(N2CCOCC2)cc1 ZINC000154636966 1122544355 /nfs/dbraw/zinc/54/43/55/1122544355.db2.gz DQMSYIUBIWQOPL-LHSJRXKWSA-N 0 3 358.432 4.140 20 10 FICDHN Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1ccc(N2CCOCC2)c(F)c1 ZINC000237835639 1124126271 /nfs/dbraw/zinc/12/62/71/1124126271.db2.gz BNQSMNWLNPWAMZ-LJQANCHMSA-N 0 3 372.484 4.367 20 10 FICDHN CCN1CCN(c2cccc(NC(=O)c3cccc(C(C)(C)C)c3)c2)CC1 ZINC001128313113 1125274316 /nfs/dbraw/zinc/27/43/16/1125274316.db2.gz LZTIFVIGLNSDCL-UHFFFAOYSA-N 0 3 365.521 4.378 20 10 FICDHN [O-]c1ccccc1C[N@@H+](Cc1c[nH]nc1-c1cccs1)C[C@@H]1CCCO1 ZINC000160178242 1079547936 /nfs/dbraw/zinc/54/79/36/1079547936.db2.gz UISAYVIOLHFXFN-KRWDZBQOSA-N 0 3 369.490 4.025 20 10 FICDHN [O-]c1ccccc1C[N@H+](Cc1c[nH]nc1-c1cccs1)C[C@@H]1CCCO1 ZINC000160178242 1079547940 /nfs/dbraw/zinc/54/79/40/1079547940.db2.gz UISAYVIOLHFXFN-KRWDZBQOSA-N 0 3 369.490 4.025 20 10 FICDHN Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1ccc(N2CCC(O)CC2)cc1 ZINC001648821991 1081249443 /nfs/dbraw/zinc/24/94/43/1081249443.db2.gz LHZJKSLCRYHGFN-OAQYLSRUSA-N 0 3 368.521 4.352 20 10 FICDHN CCCNC(=O)c1cccc(CN[C@@H](CC)c2ccc(N(C)C)cc2)c1 ZINC000160601698 1082090479 /nfs/dbraw/zinc/09/04/79/1082090479.db2.gz DZDOBCYKTOWGKE-NRFANRHFSA-N 0 3 353.510 4.133 20 10 FICDHN CC[C@@H](N[C@@H](CN1CCCC1=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000160721654 1082274121 /nfs/dbraw/zinc/27/41/21/1082274121.db2.gz ZHIYLXPVRKTBNX-YADHBBJMSA-N 0 3 365.521 4.157 20 10 FICDHN CCOc1cccc2cc([C@H](C)NCc3ccc(OC)c(OC)c3O)oc21 ZINC000892475965 1083596104 /nfs/dbraw/zinc/59/61/04/1083596104.db2.gz MYCNQFSTQDQPKH-ZDUSSCGKSA-N 0 3 371.433 4.405 20 10 FICDHN CCOCCOc1cc(C)ccc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000167142849 1083633067 /nfs/dbraw/zinc/63/30/67/1083633067.db2.gz LDWFUPOZJPQXSS-SFHVURJKSA-N 0 3 356.510 4.327 20 10 FICDHN CCCN(CC(=O)N(CC)[C@H](C)c1ccc(F)cc1)Cc1ccccc1O ZINC001167521905 1084439758 /nfs/dbraw/zinc/43/97/58/1084439758.db2.gz MPQQTDIZRPVGIY-QGZVFWFLSA-N 0 3 372.484 4.353 20 10 FICDHN CCN(CC)c1ccc(CN[C@H](C)c2ccc([S@@](C)=O)cc2)cc1F ZINC000158709070 1085004062 /nfs/dbraw/zinc/00/40/62/1085004062.db2.gz ITYOAIOKVATVTO-BZQUYTCOSA-N 0 3 362.514 4.260 20 10 FICDHN CC(C)(C)OC(=O)NCc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000313254415 1085304566 /nfs/dbraw/zinc/30/45/66/1085304566.db2.gz XXLHENUELNDKBD-SFHVURJKSA-N 0 3 368.477 4.194 20 10 FICDHN Cc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000311291688 1088530065 /nfs/dbraw/zinc/53/00/65/1088530065.db2.gz BERPIEJJBZXHNH-IERDGZPVSA-N 0 3 362.514 4.388 20 10 FICDHN C[C@H](NCc1ccc(C(F)F)c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000892729295 1088968970 /nfs/dbraw/zinc/96/89/70/1088968970.db2.gz KHBSYNJBXSVNEB-AWEZNQCLSA-N 0 3 364.411 4.451 20 10 FICDHN Cc1cc(C)c([C@H](C)[NH2+]C2CCN(C(=O)c3ccccc3F)CC2)c([O-])c1 ZINC000283894262 1089704084 /nfs/dbraw/zinc/70/40/84/1089704084.db2.gz CRPZJIPUGZNLOL-INIZCTEOSA-N 0 3 370.468 4.104 20 10 FICDHN CCOc1ccc(Oc2cc(C[NH2+]Cc3ccccc3[O-])ccn2)cc1 ZINC000237102925 1093973857 /nfs/dbraw/zinc/97/38/57/1093973857.db2.gz ITGINWHWFLITNF-UHFFFAOYSA-N 0 3 350.418 4.268 20 10 FICDHN CC[C@@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)c1ccc(C)cc1[O-] ZINC000279996313 1094282322 /nfs/dbraw/zinc/28/23/22/1094282322.db2.gz FRBXIYOEBYYKSN-HXUWFJFHSA-N 0 3 352.478 4.064 20 10 FICDHN CC[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccc(C)cc1[O-] ZINC000280184551 1094305991 /nfs/dbraw/zinc/30/59/91/1094305991.db2.gz RXOHTWOQXASDTH-JOCHJYFZSA-N 0 3 368.521 4.150 20 10 FICDHN CCN1CC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000783533698 1094435121 /nfs/dbraw/zinc/43/51/21/1094435121.db2.gz VJYTVWJGDUJJEN-CYFODOTGSA-N 0 3 364.411 4.296 20 10 FICDHN COc1ccc([C@@H](NCc2cccc(OC)c2O)c2ccc(F)cc2)cc1 ZINC000237275778 1095694361 /nfs/dbraw/zinc/69/43/61/1095694361.db2.gz NHGBTMQFTUJIQF-NRFANRHFSA-N 0 3 367.420 4.428 20 10 FICDHN [O-]c1cccc2c1[C@@H]([NH2+]CCCc1nc(-c3ccncc3)cs1)CC2 ZINC000296811112 1101440678 /nfs/dbraw/zinc/44/06/78/1101440678.db2.gz LWDYRVDTMWXLBJ-INIZCTEOSA-N 0 3 351.475 4.120 20 10 FICDHN Cc1ccc(O)c(CN2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c1 ZINC000093440837 1102573101 /nfs/dbraw/zinc/57/31/01/1102573101.db2.gz BVXRBWUSIVJIGU-UHFFFAOYSA-N 0 3 363.379 4.213 20 10 FICDHN COc1ccc2ccc([O-])c(C[N@H+](C)CCc3ccccc3OC)c2c1 ZINC000729466636 1102766352 /nfs/dbraw/zinc/76/63/52/1102766352.db2.gz VZCGDCWQZVEXCD-UHFFFAOYSA-N 0 3 351.446 4.237 20 10 FICDHN COc1ccc2ccc([O-])c(C[N@@H+](C)CCc3ccccc3OC)c2c1 ZINC000729466636 1102766364 /nfs/dbraw/zinc/76/63/64/1102766364.db2.gz VZCGDCWQZVEXCD-UHFFFAOYSA-N 0 3 351.446 4.237 20 10 FICDHN CCOc1ccc(C[NH2+][C@@H]2CCc3c2cccc3Br)c([O-])c1 ZINC000729685253 1103062205 /nfs/dbraw/zinc/06/22/05/1103062205.db2.gz ADNKODXZFITZRQ-QGZVFWFLSA-N 0 3 362.267 4.331 20 10 FICDHN COc1cccc(CN[C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)c1O ZINC000527806513 1109832101 /nfs/dbraw/zinc/83/21/01/1109832101.db2.gz FYQQIJOKTXCWNH-INIZCTEOSA-N 0 3 369.292 4.100 20 10 FICDHN COc1cc([C@@H](C)NCc2c(C)c3ccccc3n2C)cc(OC)c1OC ZINC000479455434 1112030123 /nfs/dbraw/zinc/03/01/23/1112030123.db2.gz NOOZNCUTYNPWFF-OAHLLOKOSA-N 0 3 368.477 4.363 20 10 FICDHN COc1cc(Br)cc(C[N@H+](C)[C@H](C)c2cccs2)c1[O-] ZINC000157804660 1115317143 /nfs/dbraw/zinc/31/71/43/1115317143.db2.gz LFJWOCNTERNLAN-SNVBAGLBSA-N 0 3 356.285 4.418 20 10 FICDHN COc1cc(Br)cc(C[N@@H+](C)[C@H](C)c2cccs2)c1[O-] ZINC000157804660 1115317145 /nfs/dbraw/zinc/31/71/45/1115317145.db2.gz LFJWOCNTERNLAN-SNVBAGLBSA-N 0 3 356.285 4.418 20 10 FICDHN COc1cc(Cl)cc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1O ZINC000761191412 1115614677 /nfs/dbraw/zinc/61/46/77/1115614677.db2.gz TWEWCNZNYJPMHB-UHFFFAOYSA-N 0 3 364.829 4.373 20 10 FICDHN COc1cc(Cl)cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1[O-] ZINC000761191412 1115614680 /nfs/dbraw/zinc/61/46/80/1115614680.db2.gz TWEWCNZNYJPMHB-UHFFFAOYSA-N 0 3 364.829 4.373 20 10 FICDHN COc1cc(Cl)cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1[O-] ZINC000761191412 1115614682 /nfs/dbraw/zinc/61/46/82/1115614682.db2.gz TWEWCNZNYJPMHB-UHFFFAOYSA-N 0 3 364.829 4.373 20 10 FICDHN COc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)c1[O-] ZINC000761195836 1115616176 /nfs/dbraw/zinc/61/61/76/1115616176.db2.gz PWXIHBCUWLRRFZ-HKUYNNGSSA-N 0 3 361.869 4.142 20 10 FICDHN COc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)c1[O-] ZINC000761195836 1115616179 /nfs/dbraw/zinc/61/61/79/1115616179.db2.gz PWXIHBCUWLRRFZ-HKUYNNGSSA-N 0 3 361.869 4.142 20 10 FICDHN COc1cc(Cl)cc(C[NH2+][C@H](C)[C@H](O)c2c(F)cccc2Cl)c1[O-] ZINC000761206471 1115621971 /nfs/dbraw/zinc/62/19/71/1115621971.db2.gz HTLSCRFMSJZCAR-ABKXIKBNSA-N 0 3 374.239 4.058 20 10 FICDHN Cc1cc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc(C)c1O ZINC000916835949 1121877515 /nfs/dbraw/zinc/87/75/15/1121877515.db2.gz DTHIHOUCBXATDN-IRXDYDNUSA-N 0 3 372.484 4.052 20 10 FICDHN CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000918183823 1122584953 /nfs/dbraw/zinc/58/49/53/1122584953.db2.gz UAYJOPFSVMKPAR-INIZCTEOSA-N 0 3 356.466 4.035 20 10 FICDHN CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000918183823 1122584955 /nfs/dbraw/zinc/58/49/55/1122584955.db2.gz UAYJOPFSVMKPAR-INIZCTEOSA-N 0 3 356.466 4.035 20 10 FICDHN Cc1cc(O)c(CN2CCN(c3ccc(Cl)cn3)CC2)cc1C(C)C ZINC000921188927 1123581110 /nfs/dbraw/zinc/58/11/10/1123581110.db2.gz WTIVOVNXWBHPKV-UHFFFAOYSA-N 0 3 359.901 4.195 20 10 FICDHN [O-]c1ccccc1C[NH2+]C[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000238101984 1124283844 /nfs/dbraw/zinc/28/38/44/1124283844.db2.gz JMNBYOLIGVMQND-HXUWFJFHSA-N 0 3 364.514 4.343 20 10 FICDHN CCOc1cc(CN(Cc2ccc(N(C)C)cc2)C(C)C)ccc1[N+](=O)[O-] ZINC001167108298 1080553569 /nfs/dbraw/zinc/55/35/69/1080553569.db2.gz OKHZEECCUASOMY-UHFFFAOYSA-N 0 3 371.481 4.470 20 10 FICDHN CC[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccccc1[O-] ZINC000155181211 1080677055 /nfs/dbraw/zinc/67/70/55/1080677055.db2.gz WCFFUOVMUWMMGZ-AUUYWEPGSA-N 0 3 353.466 4.478 20 10 FICDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](c2ccc(Br)cc2)C1 ZINC001140055203 1080740451 /nfs/dbraw/zinc/74/04/51/1080740451.db2.gz NRZWKDURYSBRPS-CYBMUJFWSA-N 0 3 350.231 4.283 20 10 FICDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](c2ccc(Br)cc2)C1 ZINC001140055203 1080740457 /nfs/dbraw/zinc/74/04/57/1080740457.db2.gz NRZWKDURYSBRPS-CYBMUJFWSA-N 0 3 350.231 4.283 20 10 FICDHN CCOCc1cc(CNCc2cc(Br)cs2)ccc1OC ZINC001648828491 1081265871 /nfs/dbraw/zinc/26/58/71/1081265871.db2.gz DQKJLLIJZLDXDN-UHFFFAOYSA-N 0 3 370.312 4.346 20 10 FICDHN COc1cc([C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000157420797 1084379702 /nfs/dbraw/zinc/37/97/02/1084379702.db2.gz FQMRRAGCZXLGKB-HUUCEWRRSA-N 0 3 358.482 4.190 20 10 FICDHN CC[C@H](NCc1ccc(OC)c(OC)c1OC)c1ccc(N(C)C)cc1 ZINC000164561852 1085880495 /nfs/dbraw/zinc/88/04/95/1085880495.db2.gz NSSPMLNCFIDTJA-SFHVURJKSA-N 0 3 358.482 4.019 20 10 FICDHN COc1ccc2c(c1)CCCN(Cc1cc(C(C)(C)C)cc(O)c1O)C2 ZINC000728563427 1086643513 /nfs/dbraw/zinc/64/35/13/1086643513.db2.gz IXILEBLXWVQWRA-UHFFFAOYSA-N 0 3 355.478 4.352 20 10 FICDHN [O-]c1ccccc1C[NH2+]C1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000278467307 1086998711 /nfs/dbraw/zinc/99/87/11/1086998711.db2.gz GMMGDBOWMIVUMI-UHFFFAOYSA-N 0 3 367.367 4.086 20 10 FICDHN Fc1cc(CNCc2ccc(N3CCOCC3)c(F)c2)ccc1C(F)F ZINC000892621571 1087875867 /nfs/dbraw/zinc/87/58/67/1087875867.db2.gz LFVYXWFDJFRCAB-UHFFFAOYSA-N 0 3 368.374 4.029 20 10 FICDHN COc1ccc(C)cc1[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000162358361 1087929463 /nfs/dbraw/zinc/92/94/63/1087929463.db2.gz LYKNEYCBTGUIGJ-ZWKOTPCHSA-N 0 3 354.494 4.252 20 10 FICDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(N2CCSCC2)cc1 ZINC000163607057 1088154691 /nfs/dbraw/zinc/15/46/91/1088154691.db2.gz ULGQAXGCJJACKF-INIZCTEOSA-N 0 3 371.506 4.307 20 10 FICDHN CCN1CCN(c2cccc(NC(=O)c3cccc(C(C)C)c3)c2)CC1 ZINC001269786974 1088636266 /nfs/dbraw/zinc/63/62/66/1088636266.db2.gz LASVNKZZSNTCIU-UHFFFAOYSA-N 0 3 351.494 4.204 20 10 FICDHN COc1ccc(C[NH2+]Cc2ccc(OCc3ccccc3F)cc2)c([O-])c1 ZINC000185428572 1090542235 /nfs/dbraw/zinc/54/22/35/1090542235.db2.gz SVQZCSZENUBDEI-UHFFFAOYSA-N 0 3 367.420 4.409 20 10 FICDHN Cc1cccc2c1OCC[C@H]2N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000189365911 1090974962 /nfs/dbraw/zinc/97/49/62/1090974962.db2.gz QZZDLJLQGPSGRO-OXQOHEQNSA-N 0 3 370.468 4.145 20 10 FICDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1C(F)(F)F ZINC000067249695 1093808130 /nfs/dbraw/zinc/80/81/30/1093808130.db2.gz LBKYZOIJPLSQJH-OAHLLOKOSA-N 0 3 364.411 4.393 20 10 FICDHN CC[C@H]([NH2+]CC1CCN(Cc2nc(C)c(C)o2)CC1)c1ccc(C)cc1[O-] ZINC000280186907 1094299574 /nfs/dbraw/zinc/29/95/74/1094299574.db2.gz RZEVLLSOCBLSGL-FQEVSTJZSA-N 0 3 371.525 4.258 20 10 FICDHN CC[C@@H]([NH2+]CC1CCN(Cc2nc(C)c(C)o2)CC1)c1ccc(C)cc1[O-] ZINC000280186910 1094299764 /nfs/dbraw/zinc/29/97/64/1094299764.db2.gz RZEVLLSOCBLSGL-HXUWFJFHSA-N 0 3 371.525 4.258 20 10 FICDHN CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(C)cc1[O-] ZINC000280221084 1094310282 /nfs/dbraw/zinc/31/02/82/1094310282.db2.gz UTJDXWKWXUZPPH-HXUWFJFHSA-N 0 3 372.484 4.042 20 10 FICDHN CC[C@@H](N[C@@H](CCSC)c1nnc2ccccn21)c1ccc(C)cc1O ZINC000280287838 1094321240 /nfs/dbraw/zinc/32/12/40/1094321240.db2.gz YZFAXBMVPNCHCW-SJORKVTESA-N 0 3 370.522 4.278 20 10 FICDHN C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1)c1ccccc1[O-] ZINC000710385589 1094771816 /nfs/dbraw/zinc/77/18/16/1094771816.db2.gz SWTTZYKWLWNBFI-CVEARBPZSA-N 0 3 362.514 4.469 20 10 FICDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1[O-] ZINC000273799012 1096297110 /nfs/dbraw/zinc/29/71/10/1096297110.db2.gz WTTLUFUGYIGIRW-IRXDYDNUSA-N 0 3 365.832 4.203 20 10 FICDHN COc1ccc([C@H](NCc2cccc(OC)c2O)c2ccc(F)cc2)cc1 ZINC000237363554 1099432056 /nfs/dbraw/zinc/43/20/56/1099432056.db2.gz NHGBTMQFTUJIQF-OAQYLSRUSA-N 0 3 367.420 4.428 20 10 FICDHN CN(C[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1)C(=O)OC(C)(C)C ZINC000729464156 1102635941 /nfs/dbraw/zinc/63/59/41/1102635941.db2.gz SCOLHRMLCRRTPJ-MRXNPFEDSA-N 0 3 370.493 4.234 20 10 FICDHN CN(C[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1)C(=O)OC(C)(C)C ZINC000729464156 1102635944 /nfs/dbraw/zinc/63/59/44/1102635944.db2.gz SCOLHRMLCRRTPJ-MRXNPFEDSA-N 0 3 370.493 4.234 20 10 FICDHN C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)C1 ZINC000054471348 1102981800 /nfs/dbraw/zinc/98/18/00/1102981800.db2.gz WFSAVFDAMCZRPR-KRWDZBQOSA-N 0 3 366.505 4.016 20 10 FICDHN Cc1nc(-c2cccnc2)sc1[C@@H](C)NCc1ccc(N(C)C)cc1 ZINC000160547373 1113404435 /nfs/dbraw/zinc/40/44/35/1113404435.db2.gz YTXKYQHWSZTAOY-CQSZACIVSA-N 0 3 352.507 4.430 20 10 FICDHN Cc1cc(C)c2c(c1)[C@@H](NCc1ccc(N3CCOCC3)cc1)CCCO2 ZINC000151072344 1114289599 /nfs/dbraw/zinc/28/95/99/1114289599.db2.gz FILHRPMRDCIEOD-QFIPXVFZSA-N 0 3 366.505 4.144 20 10 FICDHN C[C@@H](N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(N2CCCCCC2)cc1 ZINC000166609723 1115053066 /nfs/dbraw/zinc/05/30/66/1115053066.db2.gz HVAIEANQOQZMON-VSDWSMLSSA-N 0 3 350.506 4.376 20 10 FICDHN CC(C)(C)OC(=O)NC(C)(C)CN(Cc1ccco1)Cc1ccccc1O ZINC000761183912 1115596551 /nfs/dbraw/zinc/59/65/51/1115596551.db2.gz JDTYTBYDTUJWSX-UHFFFAOYSA-N 0 3 374.481 4.291 20 10 FICDHN COc1cc(Cl)cc(CN2CCC(N(C)c3ccccc3)CC2)c1O ZINC000761194720 1115613270 /nfs/dbraw/zinc/61/32/70/1115613270.db2.gz GIHGCVCQYYKVMJ-UHFFFAOYSA-N 0 3 360.885 4.155 20 10 FICDHN COc1cc(Cl)cc(C[NH2+]C[C@H](OC)c2ccc(Cl)cc2)c1[O-] ZINC000761207618 1115625634 /nfs/dbraw/zinc/62/56/34/1115625634.db2.gz QWPITIRESBFWBX-INIZCTEOSA-N 0 3 356.249 4.185 20 10 FICDHN CCc1ccc([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000151516809 1116278680 /nfs/dbraw/zinc/27/86/80/1116278680.db2.gz ZFLODTMAPLICFT-MRXNPFEDSA-N 0 3 356.485 4.200 20 10 FICDHN COc1ccc2ccc([O-])c(C[N@H+](CCc3nccs3)C(C)C)c2c1 ZINC000151533473 1116357418 /nfs/dbraw/zinc/35/74/18/1116357418.db2.gz RQOFKIFEQCQTFA-UHFFFAOYSA-N 0 3 356.491 4.464 20 10 FICDHN COc1ccc2ccc([O-])c(C[N@@H+](CCc3nccs3)C(C)C)c2c1 ZINC000151533473 1116357419 /nfs/dbraw/zinc/35/74/19/1116357419.db2.gz RQOFKIFEQCQTFA-UHFFFAOYSA-N 0 3 356.491 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C[C@H](N[C@@H](C)c1ccc(N2CCCCC2)cc1)C(=O)NCc1ccccc1 ZINC000161178306 1084753863 /nfs/dbraw/zinc/75/38/63/1084753863.db2.gz JENSFZKKVDLPQR-OALUTQOASA-N 0 3 365.521 4.032 20 10 FICDHN C[C@@H](N[C@@H](C)c1ccc(N2CCCCC2)cc1)C(=O)NCc1ccccc1 ZINC000161178545 1084753881 /nfs/dbraw/zinc/75/38/81/1084753881.db2.gz JENSFZKKVDLPQR-RBUKOAKNSA-N 0 3 365.521 4.032 20 10 FICDHN CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CC12CCC2 ZINC000313234566 1085289757 /nfs/dbraw/zinc/28/97/57/1085289757.db2.gz TWPXTSYJNSPWJK-IRXDYDNUSA-N 0 3 372.509 4.291 20 10 FICDHN CN(Cc1cccs1)c1ccc(CNCc2ccccc2CO)cc1 ZINC001648917328 1085666448 /nfs/dbraw/zinc/66/64/48/1085666448.db2.gz YQBUTJMIMYJNTI-UHFFFAOYSA-N 0 3 352.503 4.167 20 10 FICDHN CCCOc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000161668600 1086598770 /nfs/dbraw/zinc/59/87/70/1086598770.db2.gz OHDCMXIAVHEHPZ-KRWDZBQOSA-N 0 3 372.484 4.302 20 10 FICDHN FC(F)Oc1ccc(N2CCC(NCc3cccnc3Cl)CC2)cc1 ZINC000105427996 1088079589 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CN1CCCc2cc(CNCc3cc(Br)cs3)ccc21 ZINC000058477177 1091835102 /nfs/dbraw/zinc/83/51/02/1091835102.db2.gz MQJKECDYFRZIFS-UHFFFAOYSA-N 0 3 351.313 4.183 20 10 FICDHN C[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])Oc1ccc(Br)cc1 ZINC000783517599 1093375839 /nfs/dbraw/zinc/37/58/39/1093375839.db2.gz LPMYUMWNTYWEMW-OLZOCXBDSA-N 0 3 350.256 4.273 20 10 FICDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)c1 ZINC000710382246 1094772702 /nfs/dbraw/zinc/77/27/02/1094772702.db2.gz MALIULWPXUJDPV-QGZVFWFLSA-N 0 3 362.514 4.216 20 10 FICDHN COc1cccc(CNCc2ccc(Oc3ccc(F)cc3)nc2)c1O ZINC000237398422 1099475411 /nfs/dbraw/zinc/47/54/11/1099475411.db2.gz ZEDMQUPDDLNRBH-UHFFFAOYSA-N 0 3 354.381 4.017 20 10 FICDHN CC[C@@H]([NH2+]Cc1ccc(C)nc1-n1cc(Cl)cn1)c1ccccc1[O-] ZINC000191524924 1101947427 /nfs/dbraw/zinc/94/74/27/1101947427.db2.gz YAGFONFPCXRWLM-QGZVFWFLSA-N 0 3 356.857 4.176 20 10 FICDHN CC[C@H]([NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1ccccc1[O-] ZINC000760040630 1104996577 /nfs/dbraw/zinc/99/65/77/1104996577.db2.gz UESBLLQDOHKSHB-KSEOMHKRSA-N 0 3 357.469 4.346 20 10 FICDHN COc1ccc(N2CCN([C@@H](C)c3ccc4c(c3)CCC4)CC2)cc1F ZINC001168067089 1107394075 /nfs/dbraw/zinc/39/40/75/1107394075.db2.gz DRURJQDIFGWYFG-INIZCTEOSA-N 0 3 354.469 4.206 20 10 FICDHN C[C@H]([NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CC(F)(F)C1 ZINC000529550874 1110287268 /nfs/dbraw/zinc/28/72/68/1110287268.db2.gz QJJIKXUYMPDWGE-BLLLJJGKSA-N 0 3 358.860 4.033 20 10 FICDHN Cc1c2ccccc2n(C)c1CN[C@@H](Cc1ccccn1)c1cccnc1 ZINC000479441656 1112024159 /nfs/dbraw/zinc/02/41/59/1112024159.db2.gz UVDSOLUHCWOTCG-NRFANRHFSA-N 0 3 356.473 4.350 20 10 FICDHN CC[C@@H](NCc1ccc(N2CCSCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000163612298 1114095490 /nfs/dbraw/zinc/09/54/90/1114095490.db2.gz CZXWCMLMGCWSIZ-HXUWFJFHSA-N 0 3 371.506 4.389 20 10 FICDHN CCC[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000151068177 1114288730 /nfs/dbraw/zinc/28/87/30/1114288730.db2.gz ORCILRQBQBGQFX-OAQYLSRUSA-N 0 3 369.465 4.062 20 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1120883101 /nfs/dbraw/zinc/88/31/01/1120883101.db2.gz FFVAHWBTOXMIOA-UHFFFAOYSA-N 0 3 361.489 4.052 20 10 FICDHN CCOc1ccc([C@@H](C)NCc2ccc(N(C)C)cc2C)cc1[N+](=O)[O-] ZINC000153818935 1121400221 /nfs/dbraw/zinc/40/02/21/1121400221.db2.gz TXPUTYXXQKYVKZ-OAHLLOKOSA-N 0 3 357.454 4.219 20 10 FICDHN CC(C)c1ccc(C[C@@H]2CC[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)cc1 ZINC000763392399 1121574768 /nfs/dbraw/zinc/57/47/68/1121574768.db2.gz HLDKWDUXMLCIEJ-HTAPYJJXSA-N 0 3 367.489 4.006 20 10 FICDHN CC(C)c1ccc(C[C@@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)cc1 ZINC000763392399 1121574780 /nfs/dbraw/zinc/57/47/80/1121574780.db2.gz HLDKWDUXMLCIEJ-HTAPYJJXSA-N 0 3 367.489 4.006 20 10 FICDHN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CCCN1CC1CCCCC1 ZINC001649096453 1121759692 /nfs/dbraw/zinc/75/96/92/1121759692.db2.gz WYVJUCSLOHMMEU-OAHLLOKOSA-N 0 3 354.897 4.319 20 10 FICDHN Cc1cc(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cc(C)c1O ZINC000916835947 1121877672 /nfs/dbraw/zinc/87/76/72/1121877672.db2.gz DTHIHOUCBXATDN-CALCHBBNSA-N 0 3 372.484 4.052 20 10 FICDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000917451797 1122318795 /nfs/dbraw/zinc/31/87/95/1122318795.db2.gz LWVLVMDGJKALBS-UHFFFAOYSA-N 0 3 355.441 4.289 20 10 FICDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000917451797 1122318802 /nfs/dbraw/zinc/31/88/02/1122318802.db2.gz LWVLVMDGJKALBS-UHFFFAOYSA-N 0 3 355.441 4.289 20 10 FICDHN Oc1cc2c(cc1CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)CCC2 ZINC000918736714 1122766648 /nfs/dbraw/zinc/76/66/48/1122766648.db2.gz XNGKWZTUONXOKC-KBPBESRZSA-N 0 3 367.333 4.444 20 10 FICDHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CCC[C@@H]2c2ccccn2)c1[O-] ZINC000919952471 1123280166 /nfs/dbraw/zinc/28/01/66/1123280166.db2.gz WCJMKANUIDTWOV-HXUWFJFHSA-N 0 3 362.429 4.064 20 10 FICDHN COC(=O)c1cc2ccccc2c(C[N@H+]2CCC[C@@H]2c2ccccn2)c1[O-] ZINC000919952471 1123280170 /nfs/dbraw/zinc/28/01/70/1123280170.db2.gz WCJMKANUIDTWOV-HXUWFJFHSA-N 0 3 362.429 4.064 20 10 FICDHN O=C(CNCc1ccc(N2CCCCC2)cc1)Nc1ccc(Cl)cc1 ZINC000920179728 1123396745 /nfs/dbraw/zinc/39/67/45/1123396745.db2.gz BARJCTGNEXUSKQ-UHFFFAOYSA-N 0 3 357.885 4.059 20 10 FICDHN COc1ccc(O)c(CN[C@@H](COc2ccccc2F)c2ccccc2)c1 ZINC000180907115 1124465298 /nfs/dbraw/zinc/46/52/98/1124465298.db2.gz WQCRIFBXWCKRMA-FQEVSTJZSA-N 0 3 367.420 4.450 20 10 FICDHN COc1ccccc1N1CCN(Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143104223 1125265002 /nfs/dbraw/zinc/26/50/02/1125265002.db2.gz QVZIAZQSVNLRCS-UHFFFAOYSA-N 0 3 354.494 4.021 20 10 FICDHN C[C@@H](NCc1ccc2c(c1)CCCO2)c1ccc(N2CCCOC2=O)cc1 ZINC000922144851 1125542605 /nfs/dbraw/zinc/54/26/05/1125542605.db2.gz IHQJSSIZUWRPSM-MRXNPFEDSA-N 0 3 366.461 4.209 20 10 FICDHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000155307775 1080782434 /nfs/dbraw/zinc/78/24/34/1080782434.db2.gz JZUAXAYPKBWWLW-DLBZAZTESA-N 0 3 369.465 4.152 20 10 FICDHN CC(=O)Nc1cccc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000155495710 1081398582 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/nfs/dbraw/zinc/17/68/39/1085176839.db2.gz IPEVQQLNLAVFDG-QGZVFWFLSA-N 0 3 368.502 4.187 20 10 FICDHN COc1cc(CN(C)Cc2ccc(N(C)C)cc2)cc(C(F)(F)F)c1 ZINC001143519912 1085939653 /nfs/dbraw/zinc/93/96/53/1085939653.db2.gz ZEXNHXDBDWKLCU-UHFFFAOYSA-N 0 3 352.400 4.412 20 10 FICDHN CC(C)CCn1cccc1CNCc1ccc(N2CCC(CO)CC2)cc1 ZINC000161769427 1086792199 /nfs/dbraw/zinc/79/21/99/1086792199.db2.gz KCPGNZLLMLLRAT-UHFFFAOYSA-N 0 3 369.553 4.033 20 10 FICDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000311305402 1088549573 /nfs/dbraw/zinc/54/95/73/1088549573.db2.gz PSCUNSGBUYIDMR-HRAATJIYSA-N 0 3 362.514 4.388 20 10 FICDHN C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183161945 1090394757 /nfs/dbraw/zinc/39/47/57/1090394757.db2.gz KJRNIXCERZIBCR-IERDGZPVSA-N 0 3 367.445 4.166 20 10 FICDHN Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000184906320 1090489177 /nfs/dbraw/zinc/48/91/77/1090489177.db2.gz FOUBXZUAVLLFNO-CQSZACIVSA-N 0 3 353.441 4.244 20 10 FICDHN Cc1ccc([C@H](C)[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)c([O-])c1 ZINC000185566091 1090553992 /nfs/dbraw/zinc/55/39/92/1090553992.db2.gz DZXJMNYZWNHGMA-KRWDZBQOSA-N 0 3 353.510 4.086 20 10 FICDHN CCOc1ccc(C[NH2+]C[C@H](C)CSc2ccccc2OC)c([O-])c1 ZINC000728782462 1091016493 /nfs/dbraw/zinc/01/64/93/1091016493.db2.gz QFXKEJGQXZOYFA-HNNXBMFYSA-N 0 3 361.507 4.318 20 10 FICDHN COC[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000193995921 1091340935 /nfs/dbraw/zinc/34/09/35/1091340935.db2.gz LMXQIMWXDVPOTO-HRAATJIYSA-N 0 3 374.912 4.215 20 10 FICDHN COc1ccc(CNC2(c3ccc(C(F)(F)F)cc3)CC2)c(O)c1OC ZINC000895186747 1093144447 /nfs/dbraw/zinc/14/44/47/1093144447.db2.gz AZNPHKRTCZARHU-UHFFFAOYSA-N 0 3 367.367 4.207 20 10 FICDHN CC[C@H](N[C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(C)cc1O ZINC000280267531 1094316657 /nfs/dbraw/zinc/31/66/57/1094316657.db2.gz XRADIZKBSVYULR-PZJWPPBQSA-N 0 3 353.441 4.404 20 10 FICDHN CC[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccsc1 ZINC000840757434 1095911839 /nfs/dbraw/zinc/91/18/39/1095911839.db2.gz KGPGHMOLFXMMNG-KRWDZBQOSA-N 0 3 352.450 4.104 20 10 FICDHN CC[C@@H]([NH2+]C[C@@H]1CSCCN1Cc1ccccc1)c1ccccc1[O-] ZINC000760017664 1096138393 /nfs/dbraw/zinc/13/83/93/1096138393.db2.gz NNKXZDHTSGUJBN-UYAOXDASSA-N 0 3 356.535 4.051 20 10 FICDHN Cc1c2ccccc2n(C)c1CNCc1ccccc1N1CCO[C@@H](C)C1 ZINC000459499178 1100237286 /nfs/dbraw/zinc/23/72/86/1100237286.db2.gz DNDMNMRKDHOYPC-KRWDZBQOSA-N 0 3 363.505 4.002 20 10 FICDHN C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)C1 ZINC000054471345 1102981876 /nfs/dbraw/zinc/98/18/76/1102981876.db2.gz WFSAVFDAMCZRPR-QGZVFWFLSA-N 0 3 366.505 4.016 20 10 FICDHN CCOc1ccc(C[NH2+][C@H]2CCc3c2cccc3Br)c([O-])c1 ZINC000729685252 1103063169 /nfs/dbraw/zinc/06/31/69/1103063169.db2.gz ADNKODXZFITZRQ-KRWDZBQOSA-N 0 3 362.267 4.331 20 10 FICDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)c1 ZINC000760037091 1104925916 /nfs/dbraw/zinc/92/59/16/1104925916.db2.gz HETRDOFFOOMZOD-SSKFGXFMSA-N 0 3 357.469 4.264 20 10 FICDHN Oc1cccc2c1[C@@H](NCc1cc(F)c(Br)cc1F)CC2 ZINC000527977199 1109873473 /nfs/dbraw/zinc/87/34/73/1109873473.db2.gz CPYFHIRXURPSRL-AWEZNQCLSA-N 0 3 354.194 4.210 20 10 FICDHN CCN(CC)c1ccc(CN[C@H](C)c2cnc3cc(C)nn3c2C)cc1 ZINC000179400813 1113350909 /nfs/dbraw/zinc/35/09/09/1113350909.db2.gz FYBYNLSDDBTMDX-MRXNPFEDSA-N 0 3 351.498 4.043 20 10 FICDHN Cc1c([C@H](C)NCc2ccc(N3CCSCC3)cc2)cccc1[N+](=O)[O-] ZINC000163607342 1113993958 /nfs/dbraw/zinc/99/39/58/1113993958.db2.gz CVLKXKPWGVKPPI-INIZCTEOSA-N 0 3 371.506 4.307 20 10 FICDHN N#Cc1ccc2ncc(C[N@@H+](Cc3ccccc3[O-])C3CCCCC3)n2c1 ZINC000156779067 1114562145 /nfs/dbraw/zinc/56/21/45/1114562145.db2.gz XFVVSMPBDULWEX-UHFFFAOYSA-N 0 3 360.461 4.246 20 10 FICDHN N#Cc1ccc2ncc(C[N@H+](Cc3ccccc3[O-])C3CCCCC3)n2c1 ZINC000156779067 1114562147 /nfs/dbraw/zinc/56/21/47/1114562147.db2.gz XFVVSMPBDULWEX-UHFFFAOYSA-N 0 3 360.461 4.246 20 10 FICDHN COc1cc(Cl)cc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c1[O-] ZINC000761194745 1115613135 /nfs/dbraw/zinc/61/31/35/1115613135.db2.gz HGYFTTUILYAOAG-GOSISDBHSA-N 0 3 361.869 4.235 20 10 FICDHN COc1cc(Cl)cc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)c1[O-] ZINC000761194745 1115613137 /nfs/dbraw/zinc/61/31/37/1115613137.db2.gz HGYFTTUILYAOAG-GOSISDBHSA-N 0 3 361.869 4.235 20 10 FICDHN COc1cc(Cl)cc(CN(Cc2ccccc2)C[C@H]2CCCO2)c1O ZINC000761194745 1115613139 /nfs/dbraw/zinc/61/31/39/1115613139.db2.gz HGYFTTUILYAOAG-GOSISDBHSA-N 0 3 361.869 4.235 20 10 FICDHN COc1cc(Cl)cc(CN[C@@H]2CCCOc3ccc(F)cc32)c1O ZINC000761197991 1115617972 /nfs/dbraw/zinc/61/79/72/1115617972.db2.gz JWRBYXDALGDKRQ-OAHLLOKOSA-N 0 3 351.805 4.197 20 10 FICDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)c1[O-] ZINC000761197991 1115617973 /nfs/dbraw/zinc/61/79/73/1115617973.db2.gz JWRBYXDALGDKRQ-OAHLLOKOSA-N 0 3 351.805 4.197 20 10 FICDHN [O-]c1ccccc1C[N@H+](Cc1cncc(Br)c1)C1CCCC1 ZINC000171943289 1115894203 /nfs/dbraw/zinc/89/42/03/1115894203.db2.gz PAFZXJIHOBVJMM-UHFFFAOYSA-N 0 3 361.283 4.495 20 10 FICDHN [O-]c1ccccc1C[N@@H+](Cc1cncc(Br)c1)C1CCCC1 ZINC000171943289 1115894206 /nfs/dbraw/zinc/89/42/06/1115894206.db2.gz PAFZXJIHOBVJMM-UHFFFAOYSA-N 0 3 361.283 4.495 20 10 FICDHN C[C@@H]([NH2+]Cc1ccc(CNC(=O)OC(C)(C)C)cc1)c1cc(F)ccc1[O-] ZINC000312200020 1118290711 /nfs/dbraw/zinc/29/07/11/1118290711.db2.gz DARMJJZJAFVRQN-CQSZACIVSA-N 0 3 374.456 4.407 20 10 FICDHN CCOc1ccccc1[C@@H](C)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000151588862 1118942120 /nfs/dbraw/zinc/94/21/20/1118942120.db2.gz RROFNWLZHKLGIJ-GOSISDBHSA-N 0 3 368.521 4.145 20 10 FICDHN COc1cc(CN(C)Cc2ccc(OC)c(OC)c2)c(O)c(C(C)(C)C)c1 ZINC000915818249 1121082807 /nfs/dbraw/zinc/08/28/07/1121082807.db2.gz WAKQSOVMAQUMEY-UHFFFAOYSA-N 0 3 373.493 4.348 20 10 FICDHN CC(C)c1ccc(C[C@@H]2CC[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)cc1 ZINC000763392403 1121575578 /nfs/dbraw/zinc/57/55/78/1121575578.db2.gz HLDKWDUXMLCIEJ-JTSKRJEESA-N 0 3 367.489 4.006 20 10 FICDHN CC(C)c1ccc(C[C@@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)cc1 ZINC000763392403 1121575585 /nfs/dbraw/zinc/57/55/85/1121575585.db2.gz HLDKWDUXMLCIEJ-JTSKRJEESA-N 0 3 367.489 4.006 20 10 FICDHN CCc1ccc(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1 ZINC000916835874 1121876688 /nfs/dbraw/zinc/87/66/88/1121876688.db2.gz BHAIHKLGKHPJRT-IAGOWNOFSA-N 0 3 356.485 4.292 20 10 FICDHN COc1ccc(CN(Cc2ccc(N(C)C)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000917075451 1122070325 /nfs/dbraw/zinc/07/03/25/1122070325.db2.gz VZQOKYOACHKQKU-UHFFFAOYSA-N 0 3 357.454 4.080 20 10 FICDHN C[C@@H](NCc1cccnc1N(C)C)c1ccc(N2CCCCCC2)cc1 ZINC000154781389 1122741175 /nfs/dbraw/zinc/74/11/75/1122741175.db2.gz NKAGPJRDMQXDTF-GOSISDBHSA-N 0 3 352.526 4.379 20 10 FICDHN CC(=O)c1cc(Cl)cc(CNC2(c3nc(C)cs3)CCC2)c1O ZINC000275151902 1080578704 /nfs/dbraw/zinc/57/87/04/1080578704.db2.gz GVIIFSQRYSERNI-UHFFFAOYSA-N 0 3 350.871 4.182 20 10 FICDHN CC[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccccc1[O-] ZINC000155180896 1080672093 /nfs/dbraw/zinc/67/20/93/1080672093.db2.gz WCFFUOVMUWMMGZ-LIRRHRJNSA-N 0 3 353.466 4.478 20 10 FICDHN CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2)c1ccccc1[O-] ZINC000156160955 1082485060 /nfs/dbraw/zinc/48/50/60/1082485060.db2.gz REVYAEKLYJILNV-IYJAJMOOSA-N 0 3 354.450 4.304 20 10 FICDHN Cc1noc(C[C@@H](N[C@@H](C)c2ccc(N(C)C)cc2)c2ccccc2)n1 ZINC000277004752 1083707180 /nfs/dbraw/zinc/70/71/80/1083707180.db2.gz BARNQKUENKEZER-MGPUTAFESA-N 0 3 350.466 4.079 20 10 FICDHN COc1cc([C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000157420363 1084377118 /nfs/dbraw/zinc/37/71/18/1084377118.db2.gz FQMRRAGCZXLGKB-GJZGRUSLSA-N 0 3 358.482 4.190 20 10 FICDHN CCN(CC)c1ccc(CNCc2c[nH]nc2-c2ccc(C)o2)cc1F ZINC000066906387 1085810267 /nfs/dbraw/zinc/81/02/67/1085810267.db2.gz NIKDYUQWSBCJNM-UHFFFAOYSA-N 0 3 356.445 4.253 20 10 FICDHN CCOc1ccccc1[C@H](C)NCc1ccc(N2CCSCC2)cc1 ZINC000163628094 1088160128 /nfs/dbraw/zinc/16/01/28/1088160128.db2.gz JPRQYGRPYIRYGT-KRWDZBQOSA-N 0 3 356.535 4.489 20 10 FICDHN CCN(CC)c1ccc(CN[C@@H](C)c2sc(CCOC)nc2C)cc1 ZINC000181384461 1088421542 /nfs/dbraw/zinc/42/15/42/1088421542.db2.gz XTLRLOTWNCAAMZ-HNNXBMFYSA-N 0 3 361.555 4.337 20 10 FICDHN C[C@@H]([NH2+]Cc1ccc(CNC(=O)OC(C)(C)C)cc1)c1ccccc1[O-] ZINC000311310010 1088539612 /nfs/dbraw/zinc/53/96/12/1088539612.db2.gz SSMCBPQFEKKKOS-OAHLLOKOSA-N 0 3 356.466 4.268 20 10 FICDHN Cc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)c(OC[C@H]2CCOC2)c1 ZINC000167177727 1088638709 /nfs/dbraw/zinc/63/87/09/1088638709.db2.gz AJSBLFHEBWEHFP-MOPGFXCFSA-N 0 3 368.521 4.327 20 10 FICDHN C[C@H]([NH2+]Cc1ccc(NC(=O)c2ccco2)cc1)c1cc(F)ccc1[O-] ZINC000185172257 1090517021 /nfs/dbraw/zinc/51/70/21/1090517021.db2.gz KWQRTPNTLJFLOR-ZDUSSCGKSA-N 0 3 354.381 4.227 20 10 FICDHN CC[C@@H]([NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(C)cc1[O-] ZINC000279973841 1093981036 /nfs/dbraw/zinc/98/10/36/1093981036.db2.gz DDXZVZUGWROOLS-DNVCBOLYSA-N 0 3 354.450 4.459 20 10 FICDHN CC[C@H]([NH2+]Cc1ccc(C(=O)N(CC)CC)cc1)c1ccc(C)cc1[O-] ZINC000280119731 1094291943 /nfs/dbraw/zinc/29/19/43/1094291943.db2.gz OGGKVVGLVHCGCR-FQEVSTJZSA-N 0 3 354.494 4.424 20 10 FICDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1[O-] ZINC000273799003 1096296259 /nfs/dbraw/zinc/29/62/59/1096296259.db2.gz WTTLUFUGYIGIRW-DLBZAZTESA-N 0 3 365.832 4.203 20 10 FICDHN Cc1cccnc1[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)C(C)(C)C ZINC000897994306 1102154766 /nfs/dbraw/zinc/15/47/66/1102154766.db2.gz FLEIYVZEYRGQHE-JOCHJYFZSA-N 0 3 367.537 4.228 20 10 FICDHN Cc1noc(C[C@H]([NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)c2ccccc2)n1 ZINC000760052146 1105218443 /nfs/dbraw/zinc/21/84/43/1105218443.db2.gz PZGQQRRUGZEHTO-DQYPLSBCSA-N 0 3 367.424 4.345 20 10 FICDHN COc1cc([C@H](C)[NH2+]Cc2ccccc2[O-])ccc1OCc1ccncc1 ZINC000237279436 1107016610 /nfs/dbraw/zinc/01/66/10/1107016610.db2.gz BNGJMWAHYGTFCB-INIZCTEOSA-N 0 3 364.445 4.226 20 10 FICDHN Cc1ccc([C@H](C)NCc2ccc(N3CCSCC3)cc2)cc1[N+](=O)[O-] ZINC000163600747 1113885985 /nfs/dbraw/zinc/88/59/85/1113885985.db2.gz FTPIYVJFIPVIOD-INIZCTEOSA-N 0 3 371.506 4.307 20 10 FICDHN CCSc1ccccc1[C@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000151063350 1114288105 /nfs/dbraw/zinc/28/81/05/1114288105.db2.gz RQFCQIZSEDBUMJ-KRWDZBQOSA-N 0 3 356.535 4.486 20 10 FICDHN CC[C@H](CC(F)(F)F)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000760657337 1114417029 /nfs/dbraw/zinc/41/70/29/1114417029.db2.gz JARNGPDLWLUBKN-CQSZACIVSA-N 0 3 359.392 4.406 20 10 FICDHN Cc1cc(C)c(O)c(CN2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000164201799 1114443648 /nfs/dbraw/zinc/44/36/48/1114443648.db2.gz PNMJKDJELJMLOE-UHFFFAOYSA-N 0 3 372.896 4.011 20 10 FICDHN COCc1ccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000914797361 1120541594 /nfs/dbraw/zinc/54/15/94/1120541594.db2.gz UXBDXEDNLSEKBL-UHFFFAOYSA-N 0 3 369.465 4.021 20 10 FICDHN CC[NH+](CC)Cc1cncc(NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001168522157 1121906336 /nfs/dbraw/zinc/90/63/36/1121906336.db2.gz AIKNMTHEDSQOBP-UHFFFAOYSA-N 0 3 370.884 4.443 20 10 FICDHN C[C@H](Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccc(F)cc1[O-] ZINC000186288950 1122009343 /nfs/dbraw/zinc/00/93/43/1122009343.db2.gz JBGGOCGBRPYXQY-INIZCTEOSA-N 0 3 369.484 4.236 20 10 FICDHN COc1ccc2ccc([O-])c(C[N@H+](C)CCOc3ccccc3OC)c2c1 ZINC000917486107 1122328146 /nfs/dbraw/zinc/32/81/46/1122328146.db2.gz CJDUDVANUAVFNU-UHFFFAOYSA-N 0 3 367.445 4.073 20 10 FICDHN COc1ccc2ccc([O-])c(C[N@@H+](C)CCOc3ccccc3OC)c2c1 ZINC000917486107 1122328150 /nfs/dbraw/zinc/32/81/50/1122328150.db2.gz CJDUDVANUAVFNU-UHFFFAOYSA-N 0 3 367.445 4.073 20 10 FICDHN COc1ccc([C@@H](NCc2cc(OC)ccc2O)c2ccc(F)cc2)cc1 ZINC000180886484 1124462128 /nfs/dbraw/zinc/46/21/28/1124462128.db2.gz JXAZKSAKQYTBLW-QFIPXVFZSA-N 0 3 367.420 4.428 20 10 FICDHN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000155307883 1080782745 /nfs/dbraw/zinc/78/27/45/1080782745.db2.gz JZUAXAYPKBWWLW-IRXDYDNUSA-N 0 3 369.465 4.152 20 10 FICDHN Cc1ccc(F)cc1CNCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC001648835235 1081277136 /nfs/dbraw/zinc/27/71/36/1081277136.db2.gz FKHBZTQMQFHBJX-HOTGVXAUSA-N 0 3 360.448 4.177 20 10 FICDHN CCCNC(=O)c1cccc(CN[C@H](C)c2ccc(N(C)CC)cc2)c1 ZINC000160576261 1082059491 /nfs/dbraw/zinc/05/94/91/1082059491.db2.gz JZYZGPLYGWQDSR-QGZVFWFLSA-N 0 3 353.510 4.133 20 10 FICDHN CC[C@H](C)NC(=O)c1cccc(CN[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000161068377 1083035701 /nfs/dbraw/zinc/03/57/01/1083035701.db2.gz QGBPHENRXYHINL-IRXDYDNUSA-N 0 3 353.510 4.132 20 10 FICDHN COCCCOc1cc(C)ccc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000167234545 1083686311 /nfs/dbraw/zinc/68/63/11/1083686311.db2.gz CBGOKAWUNAVHGW-GOSISDBHSA-N 0 3 356.510 4.327 20 10 FICDHN Cc1noc(C[C@H](N[C@@H](C)c2ccc(N(C)C)cc2)c2ccccc2)n1 ZINC000277004755 1083707327 /nfs/dbraw/zinc/70/73/27/1083707327.db2.gz BARNQKUENKEZER-YWZLYKJASA-N 0 3 350.466 4.079 20 10 FICDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000176210982 1083743447 /nfs/dbraw/zinc/74/34/47/1083743447.db2.gz PKUNHPZOLXJUGN-LJQANCHMSA-N 0 3 355.478 4.096 20 10 FICDHN CCOC[C@H]1CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000177634952 1084183889 /nfs/dbraw/zinc/18/38/89/1084183889.db2.gz SVUKXZLBDRVQIT-ZDUSSCGKSA-N 0 3 364.283 4.166 20 10 FICDHN CCOC[C@H]1CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000177634952 1084183895 /nfs/dbraw/zinc/18/38/95/1084183895.db2.gz SVUKXZLBDRVQIT-ZDUSSCGKSA-N 0 3 364.283 4.166 20 10 FICDHN CCOC[C@@H]1CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000177634937 1084184236 /nfs/dbraw/zinc/18/42/36/1084184236.db2.gz SVUKXZLBDRVQIT-CYBMUJFWSA-N 0 3 364.283 4.166 20 10 FICDHN CCOC[C@@H]1CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000177634937 1084184237 /nfs/dbraw/zinc/18/42/37/1084184237.db2.gz SVUKXZLBDRVQIT-CYBMUJFWSA-N 0 3 364.283 4.166 20 10 FICDHN COc1ccc2c(c1)[C@H](NCc1ccc(N3CCCC3)cc1)CCCO2 ZINC000177973512 1084517248 /nfs/dbraw/zinc/51/72/48/1084517248.db2.gz RBOVQEQSLCDPPB-OAQYLSRUSA-N 0 3 352.478 4.299 20 10 FICDHN Cc1nccn1CCC[N@@H+](C)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000162807494 1085493834 /nfs/dbraw/zinc/49/38/34/1085493834.db2.gz MCXDMPOWVMCZAA-UHFFFAOYSA-N 0 3 353.466 4.044 20 10 FICDHN Cc1nccn1CCC[N@H+](C)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000162807494 1085493837 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CC[C@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(C)cc1[O-] ZINC000279969967 1093896542 /nfs/dbraw/zinc/89/65/42/1093896542.db2.gz CVTRGCDGKRDCND-PZJWPPBQSA-N 0 3 368.477 4.059 20 10 FICDHN COc1ccc(C[NH2+]Cc2sccc2NC(=O)OC(C)(C)C)c([O-])c1 ZINC000894185545 1093899097 /nfs/dbraw/zinc/89/90/97/1093899097.db2.gz PWFWDKFMJQFNTP-UHFFFAOYSA-N 0 3 364.467 4.099 20 10 FICDHN CC[C@H]([NH2+][C@@H](Cc1nc(C)no1)c1ccccc1)c1ccc(C)cc1[O-] ZINC000280012994 1094282845 /nfs/dbraw/zinc/28/28/45/1094282845.db2.gz GTLRAYSFQMHIOM-OALUTQOASA-N 0 3 351.450 4.417 20 10 FICDHN CC[C@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)c1ccc(C)cc1[O-] ZINC000280149086 1094296924 /nfs/dbraw/zinc/29/69/24/1094296924.db2.gz QBNNFRTWLIEROL-UTKZUKDTSA-N 0 3 353.510 4.362 20 10 FICDHN CC[C@H](N[C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(C)cc1O ZINC000280267523 1094317893 /nfs/dbraw/zinc/31/78/93/1094317893.db2.gz XRADIZKBSVYULR-FPOVZHCZSA-N 0 3 353.441 4.404 20 10 FICDHN C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1)c1ccccc1[O-] ZINC000710385598 1094772677 /nfs/dbraw/zinc/77/26/77/1094772677.db2.gz SWTTZYKWLWNBFI-HZPDHXFCSA-N 0 3 362.514 4.469 20 10 FICDHN CN(C)c1ccc(CNCc2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000237129850 1096490243 /nfs/dbraw/zinc/49/02/43/1096490243.db2.gz LBIYADLKEGDKIM-UHFFFAOYSA-N 0 3 371.484 4.493 20 10 FICDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c1 ZINC000760037088 1104925880 /nfs/dbraw/zinc/92/58/80/1104925880.db2.gz HETRDOFFOOMZOD-KNXBSLHKSA-N 0 3 357.469 4.264 20 10 FICDHN Cc1cc(Cl)ccc1C1=CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000530107530 1106829857 /nfs/dbraw/zinc/82/98/57/1106829857.db2.gz ZIFPHGJEJZUXDX-FQEVSTJZSA-N 0 3 371.864 4.069 20 10 FICDHN Cc1cc(Cl)ccc1C1=CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000530107530 1106829874 /nfs/dbraw/zinc/82/98/74/1106829874.db2.gz ZIFPHGJEJZUXDX-FQEVSTJZSA-N 0 3 371.864 4.069 20 10 FICDHN CCC[C@H](NCc1ccc(N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000151068142 1114288749 /nfs/dbraw/zinc/28/87/49/1114288749.db2.gz ORCILRQBQBGQFX-NRFANRHFSA-N 0 3 369.465 4.062 20 10 FICDHN CC[C@H]([NH2+]Cc1ccc(C)cc1OC[C@@H]1CCOC1)c1ccccc1[O-] ZINC000156309377 1114382890 /nfs/dbraw/zinc/38/28/90/1114382890.db2.gz DIQYFMXRPJUTPI-XLIONFOSSA-N 0 3 355.478 4.357 20 10 FICDHN CCc1noc(-c2ccc(CC[NH2+][C@@H](CC)c3ccccc3[O-])cc2)n1 ZINC000156496781 1114452326 /nfs/dbraw/zinc/45/23/26/1114452326.db2.gz UIQBNOSQATWDBS-SFHVURJKSA-N 0 3 351.450 4.288 20 10 FICDHN COc1cc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1F ZINC000153227977 1120370798 /nfs/dbraw/zinc/37/07/98/1120370798.db2.gz HODSWBDXYABCOT-HOTGVXAUSA-N 0 3 358.457 4.083 20 10 FICDHN CCOc1ccc([C@H](C)NCc2ccc(N(C)C)cc2C)cc1[N+](=O)[O-] ZINC000153819008 1121400651 /nfs/dbraw/zinc/40/06/51/1121400651.db2.gz TXPUTYXXQKYVKZ-HNNXBMFYSA-N 0 3 357.454 4.219 20 10 FICDHN CCc1ccc(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)cc1CC ZINC001128206847 1125073217 /nfs/dbraw/zinc/07/32/17/1125073217.db2.gz JLEGTEXJVOBVCJ-UHFFFAOYSA-N 0 3 365.521 4.206 20 10 FICDHN Cc1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 ZINC000069714856 1125121048 /nfs/dbraw/zinc/12/10/48/1125121048.db2.gz DVGIKDRMABRMRS-UHFFFAOYSA-N 0 3 370.440 4.202 20 10 FICDHN CC(C)(C)OC(=O)NCC12CC(C1)CN2Cc1cccc(C(C)(C)C)c1O ZINC001143103388 1125246058 /nfs/dbraw/zinc/24/60/58/1125246058.db2.gz BQYQFLHZMFCXPA-UHFFFAOYSA-N 0 3 374.525 4.179 20 10 FICDHN CCN1CCN(c2cccc(NC(=O)c3ccccc3C(F)F)c2)CC1 ZINC001128313724 1125275447 /nfs/dbraw/zinc/27/54/47/1125275447.db2.gz UWWJQVXFIXXHNG-UHFFFAOYSA-N 0 3 359.420 4.018 20 10 FICDHN COc1ccc(O)c([C@H](C)NCc2cccc(SC(=O)N(C)C)c2)c1 ZINC000182436173 1125491989 /nfs/dbraw/zinc/49/19/89/1125491989.db2.gz XYJYUKAOVQFDJC-ZDUSSCGKSA-N 0 3 360.479 4.025 20 10 FICDHN COc1ccc(O)c([C@@H](C)NCc2cccc(SC(=O)N(C)C)c2)c1 ZINC000182436190 1125492124 /nfs/dbraw/zinc/49/21/24/1125492124.db2.gz XYJYUKAOVQFDJC-CYBMUJFWSA-N 0 3 360.479 4.025 20 10 FICDHN C[N@H+](CCC1CCOCC1)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183091423 1125742057 /nfs/dbraw/zinc/74/20/57/1125742057.db2.gz INAMLUOMCVSRTC-UHFFFAOYSA-N 0 3 355.478 4.220 20 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FICDHN CC[C@H]([NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(C)cc1[O-] ZINC000280278020 1094323562 /nfs/dbraw/zinc/32/35/62/1094323562.db2.gz YIEYAIMPDWZYND-BEFAXECRSA-N 0 3 354.450 4.459 20 10 FICDHN Cc1ccc(C)n1-c1ccc(C(=O)N(CCN(C)C)C2CCCC2)cc1 ZINC001126777104 1101955109 /nfs/dbraw/zinc/95/51/09/1101955109.db2.gz ALEPUZBZCOWVKW-UHFFFAOYSA-N 0 3 353.510 4.041 20 10 FICDHN C[C@@H](COCc1ccccc1)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC001167983451 1102886640 /nfs/dbraw/zinc/88/66/40/1102886640.db2.gz MBCJPUNRLUWSGX-KNQAVFIVSA-N 0 3 369.505 4.226 20 10 FICDHN C[C@@H](COCc1ccccc1)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC001167983451 1102886649 /nfs/dbraw/zinc/88/66/49/1102886649.db2.gz MBCJPUNRLUWSGX-KNQAVFIVSA-N 0 3 369.505 4.226 20 10 FICDHN COc1ccc(O)c(CN[C@@H](C)c2ccc(Br)cc2F)c1 ZINC000127927892 1102976525 /nfs/dbraw/zinc/97/65/25/1102976525.db2.gz GJSJSZNFQHXMMP-JTQLQIEISA-N 0 3 354.219 4.153 20 10 FICDHN CCc1onc(C)c1CNCc1ccc(OCc2ccccc2)cc1O ZINC000897336314 1108446314 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C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1)c1ccccc1[O-] ZINC000183472525 1090416159 /nfs/dbraw/zinc/41/61/59/1090416159.db2.gz RVDJXUXFPQFEPP-QGZVFWFLSA-N 0 3 370.456 4.491 20 10 FICDHN CCc1noc(-c2ccc(CC[NH2+][C@H](C)c3ccc(C)cc3[O-])cc2)n1 ZINC000185987428 1090598224 /nfs/dbraw/zinc/59/82/24/1090598224.db2.gz IMGFVKFADIAURS-OAHLLOKOSA-N 0 3 351.450 4.206 20 10 FICDHN CCN(C)c1ccc([C@@H](C)NCc2ccnc(N3CCCCC3)c2)cc1 ZINC000162400671 1090846704 /nfs/dbraw/zinc/84/67/04/1090846704.db2.gz PJTHIHDRJYFDTQ-GOSISDBHSA-N 0 3 352.526 4.379 20 10 FICDHN CC1(C)Cc2cccc(CNCc3ccc(N4CCSCC4)cc3)c2O1 ZINC000236700827 1091449467 /nfs/dbraw/zinc/44/94/67/1091449467.db2.gz ARIZTXNJNWAEHL-UHFFFAOYSA-N 0 3 368.546 4.243 20 10 FICDHN COc1cc([C@@H](C)[NH2+]Cc2ccccc2[O-])ccc1OCc1ccncc1 ZINC000237255501 1093199843 /nfs/dbraw/zinc/19/98/43/1093199843.db2.gz BNGJMWAHYGTFCB-MRXNPFEDSA-N 0 3 364.445 4.226 20 10 FICDHN COc1cc(C)cc(CNCc2cccc(NC(=O)C3CCCC3)c2)c1O ZINC000894196920 1093906177 /nfs/dbraw/zinc/90/61/77/1093906177.db2.gz IKBUEZYCXYSAGW-UHFFFAOYSA-N 0 3 368.477 4.128 20 10 FICDHN CC[C@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1ccc(C)cc1[O-] ZINC000280149093 1094297369 /nfs/dbraw/zinc/29/73/69/1094297369.db2.gz QBNNFRTWLIEROL-UWJYYQICSA-N 0 3 353.510 4.362 20 10 FICDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)c([O-])c1 ZINC000191526484 1101947548 /nfs/dbraw/zinc/94/75/48/1101947548.db2.gz LDXLMPIDLBLNPI-AWEZNQCLSA-N 0 3 356.857 4.094 20 10 FICDHN Cc1cccnc1[C@H](NCc1ccc(N2CCC(O)CC2)cc1)C(C)(C)C ZINC000897994307 1102155510 /nfs/dbraw/zinc/15/55/10/1102155510.db2.gz FLEIYVZEYRGQHE-QFIPXVFZSA-N 0 3 367.537 4.228 20 10 FICDHN C[C@H](COCc1ccccc1)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC001167983452 1102887093 /nfs/dbraw/zinc/88/70/93/1102887093.db2.gz MBCJPUNRLUWSGX-SIKLNZKXSA-N 0 3 369.505 4.226 20 10 FICDHN C[C@H](COCc1ccccc1)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC001167983452 1102887103 /nfs/dbraw/zinc/88/71/03/1102887103.db2.gz MBCJPUNRLUWSGX-SIKLNZKXSA-N 0 3 369.505 4.226 20 10 FICDHN COc1cc(Cl)cc(C[NH2+]Cc2ccc(Br)s2)c1[O-] ZINC000228670235 1108778741 /nfs/dbraw/zinc/77/87/41/1108778741.db2.gz UPFKBLLNUQRHDG-UHFFFAOYSA-N 0 3 362.676 4.168 20 10 FICDHN CCN(C)c1ccc([C@@H](C)N[C@H]2CCN(C(C)=O)c3ccccc32)cc1 ZINC000367396159 1109665314 /nfs/dbraw/zinc/66/53/14/1109665314.db2.gz HEPSKFCEASEFIJ-IERDGZPVSA-N 0 3 351.494 4.291 20 10 FICDHN Cc1c2ccccc2n(C)c1CN[C@H](Cc1ccccn1)c1cccnc1 ZINC000479441660 1112023925 /nfs/dbraw/zinc/02/39/25/1112023925.db2.gz UVDSOLUHCWOTCG-OAQYLSRUSA-N 0 3 356.473 4.350 20 10 FICDHN Oc1ccccc1CN(Cc1ccco1)C[C@H](O)c1ccc(Cl)cc1 ZINC000111232806 1112890075 /nfs/dbraw/zinc/89/00/75/1112890075.db2.gz ZSZUJNJXKUDNDG-FQEVSTJZSA-N 0 3 357.837 4.374 20 10 FICDHN CSc1ccc([C@H](C)NCc2ccc(N3CCOCC3)cc2)cc1F ZINC000151063001 1114288167 /nfs/dbraw/zinc/28/81/67/1114288167.db2.gz QODCLNBCWNUOIG-HNNXBMFYSA-N 0 3 360.498 4.235 20 10 FICDHN COc1cc(Cl)cc(CN2CC=C(c3c[nH]c4ncccc34)CC2)c1O ZINC000761191823 1115613979 /nfs/dbraw/zinc/61/39/79/1115613979.db2.gz XBSDADXEXMPYCX-UHFFFAOYSA-N 0 3 369.852 4.220 20 10 FICDHN COc1cc(Cl)cc(C[NH2+][C@H](C)[C@H](OC)c2ccccc2F)c1[O-] ZINC000761214234 1115645676 /nfs/dbraw/zinc/64/56/76/1115645676.db2.gz AGMZNXHBKRSIDU-ZMZPIMSZSA-N 0 3 353.821 4.059 20 10 FICDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@H](OC)c2ccc(F)cc2)c1[O-] ZINC000761216692 1115648593 /nfs/dbraw/zinc/64/85/93/1115648593.db2.gz WDQBGBOJAGKWFV-VOJFVSQTSA-N 0 3 353.821 4.059 20 10 FICDHN COc1ccc([C@H](C)NCc2ccc(N3CCSCC3)cc2)cc1OC ZINC000173331262 1116051141 /nfs/dbraw/zinc/05/11/41/1116051141.db2.gz IIGFSHGUQMIFQU-INIZCTEOSA-N 0 3 372.534 4.108 20 10 FICDHN O=C(c1cc(F)ccc1F)C1CCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000917460697 1122313205 /nfs/dbraw/zinc/31/32/05/1122313205.db2.gz IDBBOVTUQZPGRX-UHFFFAOYSA-N 0 3 371.427 4.254 20 10 FICDHN COc1ccc(N2CCC(N[C@H](c3ccccc3)c3ccccn3)CC2)cc1 ZINC000154622541 1122529117 /nfs/dbraw/zinc/52/91/17/1122529117.db2.gz JMADDMHVRKSGBK-XMMPIXPASA-N 0 3 373.500 4.438 20 10 FICDHN C[N@@H+](Cc1c([O-])ccc2cc(Br)ccc21)C[C@@H]1CCCCO1 ZINC000918735302 1122766174 /nfs/dbraw/zinc/76/61/74/1122766174.db2.gz JFASWXLCCGYLCU-HNNXBMFYSA-N 0 3 364.283 4.309 20 10 FICDHN C[N@H+](Cc1c([O-])ccc2cc(Br)ccc21)C[C@@H]1CCCCO1 ZINC000918735302 1122766175 /nfs/dbraw/zinc/76/61/75/1122766175.db2.gz JFASWXLCCGYLCU-HNNXBMFYSA-N 0 3 364.283 4.309 20 10 FICDHN CC[C@H](NCc1ccc(OCC(F)(F)F)nc1)c1ccc(N(C)C)cc1 ZINC000154973780 1122992165 /nfs/dbraw/zinc/99/21/65/1122992165.db2.gz IAELRGXERDUGTP-KRWDZBQOSA-N 0 3 367.415 4.330 20 10 FICDHN COc1ccc2ccc([O-])c(C[N@H+](C)Cc3cc(OC)cc(OC)c3)c2c1 ZINC000919957503 1123283761 /nfs/dbraw/zinc/28/37/61/1123283761.db2.gz RIMKEEWSOKBJHB-UHFFFAOYSA-N 0 3 367.445 4.203 20 10 FICDHN COc1ccc2ccc([O-])c(C[N@@H+](C)Cc3cc(OC)cc(OC)c3)c2c1 ZINC000919957503 1123283764 /nfs/dbraw/zinc/28/37/64/1123283764.db2.gz RIMKEEWSOKBJHB-UHFFFAOYSA-N 0 3 367.445 4.203 20 10 FICDHN COc1cc(C[N@H+](C)Cc2ccc(Cl)cc2)c([O-])cc1Br ZINC001236755063 1125009374 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FICDHN COc1ccc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1F ZINC000162260277 1083922538 /nfs/dbraw/zinc/92/25/38/1083922538.db2.gz TXZPDNSDZLPMNL-HOTGVXAUSA-N 0 3 358.457 4.083 20 10 FICDHN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000311048147 1088160447 /nfs/dbraw/zinc/16/04/47/1088160447.db2.gz QDGYAOOCBXTVAT-SFHVURJKSA-N 0 3 358.913 4.438 20 10 FICDHN CCN1CCN(c2cccc(NC(=O)c3cccc(C4CCC4)c3)c2)CC1 ZINC001269787195 1088635991 /nfs/dbraw/zinc/63/59/91/1088635991.db2.gz MFVUYTCGESZMTJ-UHFFFAOYSA-N 0 3 363.505 4.348 20 10 FICDHN COc1ccc(CN[C@@H]2CCCOc3cc(Cl)ccc32)c(O)c1OC ZINC000893305037 1090870528 /nfs/dbraw/zinc/87/05/28/1090870528.db2.gz QWVWZYGLJNAXHR-OAHLLOKOSA-N 0 3 363.841 4.066 20 10 FICDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000311298387 1091301466 /nfs/dbraw/zinc/30/14/66/1091301466.db2.gz IGMGRAOYQLWIJG-IKGGRYGDSA-N 0 3 362.514 4.387 20 10 FICDHN CN(C)C(=O)c1cccc(C[N@H+](Cc2ccccc2[O-])C2CCCCC2)c1 ZINC000729266412 1093954574 /nfs/dbraw/zinc/95/45/74/1093954574.db2.gz ADHKBKSROGBALK-UHFFFAOYSA-N 0 3 366.505 4.429 20 10 FICDHN CN(C)C(=O)c1cccc(C[N@@H+](Cc2ccccc2[O-])C2CCCCC2)c1 ZINC000729266412 1093954576 /nfs/dbraw/zinc/95/45/76/1093954576.db2.gz ADHKBKSROGBALK-UHFFFAOYSA-N 0 3 366.505 4.429 20 10 FICDHN CC[C@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1ccc(C)cc1[O-] ZINC000280097395 1094293444 /nfs/dbraw/zinc/29/34/44/1094293444.db2.gz MVMREOFYNGHACP-FQEVSTJZSA-N 0 3 352.478 4.064 20 10 FICDHN C[C@H]([NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1)c1ccccc1[O-] ZINC000272858279 1096218279 /nfs/dbraw/zinc/21/82/79/1096218279.db2.gz MKBSHOBBRGSISZ-KRWDZBQOSA-N 0 3 359.473 4.201 20 10 FICDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)c([O-])c1 ZINC000191526469 1101947709 /nfs/dbraw/zinc/94/77/09/1101947709.db2.gz LDXLMPIDLBLNPI-CQSZACIVSA-N 0 3 356.857 4.094 20 10 FICDHN C[C@H](CC[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-])N1CCCCC1 ZINC000757659034 1102821559 /nfs/dbraw/zinc/82/15/59/1102821559.db2.gz VCTLVDRRLKSXRF-CHWSQXEVSA-N 0 3 373.310 4.209 20 10 FICDHN Cc1cc(Cl)ccc1C1=CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000530107531 1106830716 /nfs/dbraw/zinc/83/07/16/1106830716.db2.gz ZIFPHGJEJZUXDX-HXUWFJFHSA-N 0 3 371.864 4.069 20 10 FICDHN Cc1cc(Cl)ccc1C1=CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000530107531 1106830729 /nfs/dbraw/zinc/83/07/29/1106830729.db2.gz ZIFPHGJEJZUXDX-HXUWFJFHSA-N 0 3 371.864 4.069 20 10 FICDHN Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccc3cn(C)nc3c2)c1[O-] ZINC000527961451 1109875607 /nfs/dbraw/zinc/87/56/07/1109875607.db2.gz HLCMGKPEUJOJSR-GFCCVEGCSA-N 0 3 374.282 4.201 20 10 FICDHN C[C@@H](NCc1ccc(N2CCSCC2)cc1)c1ccc(F)cc1N(C)C ZINC000163622383 1114241478 /nfs/dbraw/zinc/24/14/78/1114241478.db2.gz XPOMAVGPSXRIIA-MRXNPFEDSA-N 0 3 373.541 4.296 20 10 FICDHN COc1cc(Cl)cc(C[NH2+]Cc2ccc(Br)cc2)c1[O-] ZINC000228672484 1115706581 /nfs/dbraw/zinc/70/65/81/1115706581.db2.gz LCVHKVQUZZSTEB-UHFFFAOYSA-N 0 3 356.647 4.107 20 10 FICDHN C[C@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1 ZINC000173330775 1116051083 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COC(=O)c1cc2ccccc2c(C[N@@H+]2CCC[C@H]2c2ccccn2)c1[O-] ZINC000919952470 1123280484 /nfs/dbraw/zinc/28/04/84/1123280484.db2.gz WCJMKANUIDTWOV-FQEVSTJZSA-N 0 3 362.429 4.064 20 10 FICDHN COC(=O)c1cc2ccccc2c(C[N@H+]2CCC[C@H]2c2ccccn2)c1[O-] ZINC000919952470 1123280487 /nfs/dbraw/zinc/28/04/87/1123280487.db2.gz WCJMKANUIDTWOV-FQEVSTJZSA-N 0 3 362.429 4.064 20 10 FICDHN C[C@H](NCc1ccc(F)c(Cl)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000155187122 1123351018 /nfs/dbraw/zinc/35/10/18/1123351018.db2.gz BURODCRJHJUVNP-ZDUSSCGKSA-N 0 3 366.839 4.306 20 10 FICDHN CC[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1F ZINC000180215032 1124265843 /nfs/dbraw/zinc/26/58/43/1124265843.db2.gz AHMMZKACLDQYRJ-JOCHJYFZSA-N 0 3 356.485 4.275 20 10 FICDHN Cc1ccc(F)cc1CNCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC001648835237 1081276678 /nfs/dbraw/zinc/27/66/78/1081276678.db2.gz FKHBZTQMQFHBJX-IYBDPMFKSA-N 0 3 360.448 4.177 20 10 FICDHN COc1cccc(CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1O ZINC000179345633 1083389484 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FICDHN Cc1nc([C@@H](C)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cs1 ZINC000378203732 1090222893 /nfs/dbraw/zinc/22/28/93/1090222893.db2.gz RZSDYMWSFMMCCC-GFCCVEGCSA-N 0 3 367.465 4.373 20 10 FICDHN C[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1nccs1 ZINC000378394140 1090340738 /nfs/dbraw/zinc/34/07/38/1090340738.db2.gz JLNFWMUYESLMLE-LBPRGKRZSA-N 0 3 353.438 4.064 20 10 FICDHN CCN(C)c1ccc([C@H](C)Nc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000182637525 1090365191 /nfs/dbraw/zinc/36/51/91/1090365191.db2.gz VWUNXZGIAKVWRU-SFHVURJKSA-N 0 3 352.526 4.068 20 10 FICDHN CC[C@@H](Nc1ccc(N2CCN(C)CC2)cc1)c1ccc(N(C)C)cc1 ZINC000182632885 1090365359 /nfs/dbraw/zinc/36/53/59/1090365359.db2.gz PZNHUHVFNWPBPP-JOCHJYFZSA-N 0 3 352.526 4.068 20 10 FICDHN COc1ccc(C)cc1[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000162358760 1090739993 /nfs/dbraw/zinc/73/99/93/1090739993.db2.gz LYKNEYCBTGUIGJ-MSOLQXFVSA-N 0 3 354.494 4.252 20 10 FICDHN COC[C@@H](NCc1cc(Cl)cc(OC)c1O)c1ccc(Cl)cc1 ZINC000194549388 1091391552 /nfs/dbraw/zinc/39/15/52/1091391552.db2.gz CSRMNRDGJISKKM-OAHLLOKOSA-N 0 3 356.249 4.185 20 10 FICDHN CCN(Cc1ccccc1)c1ccc(CNCc2ccccc2CO)cc1 ZINC000236966709 1093238231 /nfs/dbraw/zinc/23/82/31/1093238231.db2.gz KJPAHRRXBHWEQA-UHFFFAOYSA-N 0 3 360.501 4.495 20 10 FICDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000895698255 1093678818 /nfs/dbraw/zinc/67/88/18/1093678818.db2.gz DJSBNFUASHEXEY-OAQYLSRUSA-N 0 3 366.505 4.224 20 10 FICDHN CC[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(C)cc1[O-] ZINC000279973847 1093980763 /nfs/dbraw/zinc/98/07/63/1093980763.db2.gz DDXZVZUGWROOLS-HNAYVOBHSA-N 0 3 354.450 4.459 20 10 FICDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)c1 ZINC000710382202 1094771984 /nfs/dbraw/zinc/77/19/84/1094771984.db2.gz MALIULWPXUJDPV-KRWDZBQOSA-N 0 3 362.514 4.216 20 10 FICDHN CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1ccccc1[O-] ZINC000155828096 1113887390 /nfs/dbraw/zinc/88/73/90/1113887390.db2.gz RGNZFTRHEMMISN-QRWLVFNGSA-N 0 3 372.484 4.294 20 10 FICDHN CCC[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F ZINC000150923415 1114173366 /nfs/dbraw/zinc/17/33/66/1114173366.db2.gz ORKPYLBIXNSUGZ-NRFANRHFSA-N 0 3 360.448 4.432 20 10 FICDHN c1ccc2c(c1)CCSC[C@H]2NCc1ccc(N2CCSCC2)cc1 ZINC000163624006 1114243145 /nfs/dbraw/zinc/24/31/45/1114243145.db2.gz KZOOVEJZQCUWKZ-OAQYLSRUSA-N 0 3 370.587 4.360 20 10 FICDHN Cc1cc2c(cc1C)[C@H](NCc1ccc(N3CCOCC3)cc1)CCCO2 ZINC000151067468 1114288663 /nfs/dbraw/zinc/28/86/63/1114288663.db2.gz CITMLQWARRWWJN-JOCHJYFZSA-N 0 3 366.505 4.144 20 10 FICDHN CC[C@@H](CC(F)(F)F)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000760657315 1114417198 /nfs/dbraw/zinc/41/71/98/1114417198.db2.gz JARNGPDLWLUBKN-AWEZNQCLSA-N 0 3 359.392 4.406 20 10 FICDHN Cc1cc(O)c(CN2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1C ZINC000057104721 1114875789 /nfs/dbraw/zinc/87/57/89/1114875789.db2.gz BJWHSHWYCWDOSM-UHFFFAOYSA-N 0 3 372.896 4.011 20 10 FICDHN C[C@H](NCc1cccnc1OCC(F)F)c1cc2c(cc1O)CCCC2 ZINC000186199302 1121642700 /nfs/dbraw/zinc/64/27/00/1121642700.db2.gz HKKOVPTWGLPTHU-ZDUSSCGKSA-N 0 3 362.420 4.161 20 10 FICDHN CCN1CCN(c2ccc(N[C@H](C)c3cc(OC)ccc3O)c(C)c2)CC1 ZINC000186237251 1121976251 /nfs/dbraw/zinc/97/62/51/1121976251.db2.gz VXTILIWYJLRVOS-QGZVFWFLSA-N 0 3 369.509 4.024 20 10 FICDHN COc1ccc(N2CCCN(CCSc3ccccc3F)CC2)cc1 ZINC000917088512 1122100185 /nfs/dbraw/zinc/10/01/85/1122100185.db2.gz ZXUMZWMVYPADDN-UHFFFAOYSA-N 0 3 360.498 4.139 20 10 FICDHN Cc1cc(O)c(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1C(C)C ZINC000917456885 1122321613 /nfs/dbraw/zinc/32/16/13/1122321613.db2.gz NDQQHSDVJCUSCM-UHFFFAOYSA-N 0 3 369.465 4.054 20 10 FICDHN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCc1ccc(N2CCOCC2)c(F)c1 ZINC000237834809 1124125745 /nfs/dbraw/zinc/12/57/45/1124125745.db2.gz BNQSMNWLNPWAMZ-IBGZPJMESA-N 0 3 372.484 4.367 20 10 FICDHN CCC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC000180016015 1124198686 /nfs/dbraw/zinc/19/86/86/1124198686.db2.gz AMPWIESZXNIMBE-UHFFFAOYSA-N 0 3 360.461 4.077 20 10 FICDHN CCC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC000180016015 1124198691 /nfs/dbraw/zinc/19/86/91/1124198691.db2.gz AMPWIESZXNIMBE-UHFFFAOYSA-N 0 3 360.461 4.077 20 10 FICDHN COc1cc(C[NH2+]Cc2cc(F)ccc2[O-])ccc1OCc1ccccc1 ZINC000180387332 1124311120 /nfs/dbraw/zinc/31/11/20/1124311120.db2.gz CCOGGRMTPWAMDU-UHFFFAOYSA-N 0 3 367.420 4.409 20 10 FICDHN Oc1ccccc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019361792 211217708 /nfs/dbraw/zinc/21/77/08/211217708.db2.gz WWXZPNJGLCBJPZ-UHFFFAOYSA-N 0 3 358.485 4.299 20 10 FICDHN COc1cc(O)c(CNCc2ccc(C)cc2OC(C)(C)C)cc1OC ZINC000182631438 1125588958 /nfs/dbraw/zinc/58/89/58/1125588958.db2.gz XIHCRVQGWNPAOC-UHFFFAOYSA-N 0 3 359.466 4.185 20 10 FICDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000183007556 1125717561 /nfs/dbraw/zinc/71/75/61/1125717561.db2.gz DVRVETHXPAZGFI-GOSISDBHSA-N 0 3 363.461 4.074 20 10 FICDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000183007556 1125717567 /nfs/dbraw/zinc/71/75/67/1125717567.db2.gz DVRVETHXPAZGFI-GOSISDBHSA-N 0 3 363.461 4.074 20 10 FICDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000183007535 1125717643 /nfs/dbraw/zinc/71/76/43/1125717643.db2.gz DVRVETHXPAZGFI-SFHVURJKSA-N 0 3 363.461 4.074 20 10 FICDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000183007535 1125717647 /nfs/dbraw/zinc/71/76/47/1125717647.db2.gz DVRVETHXPAZGFI-SFHVURJKSA-N 0 3 363.461 4.074 20 10 FICDHN CC[C@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1ccccc1[O-] ZINC000121097475 1081429662 /nfs/dbraw/zinc/42/96/62/1081429662.db2.gz IKJRUSQYLKSIHS-AWEZNQCLSA-N 0 3 364.239 4.124 20 10 FICDHN CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2)c1ccccc1[O-] ZINC000156160716 1082485296 /nfs/dbraw/zinc/48/52/96/1082485296.db2.gz REVYAEKLYJILNV-ACWOFJMJSA-N 0 3 354.450 4.304 20 10 FICDHN C[C@H](NCc1ccc2c(c1)OCCO2)c1ccc(N2CCCCC2)cc1 ZINC000178210352 1082983251 /nfs/dbraw/zinc/98/32/51/1082983251.db2.gz OOUJRKPKFGIZMJ-KRWDZBQOSA-N 0 3 352.478 4.299 20 10 FICDHN CCN(C)c1ccc([C@H](C)N[C@H](Cc2nc(C)no2)c2ccccc2)cc1 ZINC000277046563 1083727087 /nfs/dbraw/zinc/72/70/87/1083727087.db2.gz GQCPSYVEVHKVMQ-HRAATJIYSA-N 0 3 364.493 4.469 20 10 FICDHN C[C@@H](NCc1ccc(Cl)s1)c1ccc(N2CCOCC2)c(F)c1 ZINC000177862721 1084393342 /nfs/dbraw/zinc/39/33/42/1084393342.db2.gz PPCWXKNMUCMVKK-GFCCVEGCSA-N 0 3 354.878 4.228 20 10 FICDHN CCC[N@H+](CCOc1ccccc1Br)Cc1ccccc1[O-] ZINC001167521852 1084439009 /nfs/dbraw/zinc/43/90/09/1084439009.db2.gz KPJXVUVYXWPDBT-UHFFFAOYSA-N 0 3 364.283 4.446 20 10 FICDHN CCC[N@@H+](CCOc1ccccc1Br)Cc1ccccc1[O-] ZINC001167521852 1084439020 /nfs/dbraw/zinc/43/90/20/1084439020.db2.gz KPJXVUVYXWPDBT-UHFFFAOYSA-N 0 3 364.283 4.446 20 10 FICDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccsc1 ZINC000178189546 1084848351 /nfs/dbraw/zinc/84/83/51/1084848351.db2.gz GXFHPXQCWQZNSC-CYBMUJFWSA-N 0 3 370.440 4.454 20 10 FICDHN C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cnc2ccsc2c1 ZINC000165192100 1086396601 /nfs/dbraw/zinc/39/66/01/1086396601.db2.gz MZBXEYAKYKZGNQ-AWEZNQCLSA-N 0 3 371.481 4.123 20 10 FICDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000180027898 1090145357 /nfs/dbraw/zinc/14/53/57/1090145357.db2.gz QVAMALHMMWYVGD-CQSZACIVSA-N 0 3 371.387 4.100 20 10 FICDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000180027898 1090145362 /nfs/dbraw/zinc/14/53/62/1090145362.db2.gz QVAMALHMMWYVGD-CQSZACIVSA-N 0 3 371.387 4.100 20 10 FICDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3OC(F)F)C2)c([O-])c1 ZINC000185477356 1090545813 /nfs/dbraw/zinc/54/58/13/1090545813.db2.gz VYIOWMBHQSDHDN-CABCVRRESA-N 0 3 362.420 4.232 20 10 FICDHN CCN(CC)c1ccc(CNCc2c[nH]nc2-c2ccsc2)cc1F ZINC000780524069 1090575367 /nfs/dbraw/zinc/57/53/67/1090575367.db2.gz CCINCQYTVIRVRE-UHFFFAOYSA-N 0 3 358.486 4.413 20 10 FICDHN CSc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000178592039 1092108667 /nfs/dbraw/zinc/10/86/67/1092108667.db2.gz JKXDGJCLTRTDLN-OAHLLOKOSA-N 0 3 360.498 4.235 20 10 FICDHN Cc1cc(N(C)C)ccc1CN[C@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000895698252 1093678722 /nfs/dbraw/zinc/67/87/22/1093678722.db2.gz DJSBNFUASHEXEY-NRFANRHFSA-N 0 3 366.505 4.224 20 10 FICDHN CC[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccc(C)cc1[O-] ZINC000280184556 1094306267 /nfs/dbraw/zinc/30/62/67/1094306267.db2.gz RXOHTWOQXASDTH-QFIPXVFZSA-N 0 3 368.521 4.150 20 10 FICDHN Cc1ccc([C@H](C)NCc2ccncc2OCC(F)(F)F)c(O)c1C ZINC000281151697 1095496361 /nfs/dbraw/zinc/49/63/61/1095496361.db2.gz AXPGLBYSCXNTPO-ZDUSSCGKSA-N 0 3 354.372 4.196 20 10 FICDHN COc1cccc(CNCc2sccc2NC(=O)OC(C)(C)C)c1O ZINC000894458822 1102371512 /nfs/dbraw/zinc/37/15/12/1102371512.db2.gz XJSKFWXCBVTSCU-UHFFFAOYSA-N 0 3 364.467 4.099 20 10 FICDHN C[C@@H](COCc1ccccc1)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC001167983450 1102885143 /nfs/dbraw/zinc/88/51/43/1102885143.db2.gz MBCJPUNRLUWSGX-DENIHFKCSA-N 0 3 369.505 4.226 20 10 FICDHN C[C@@H](COCc1ccccc1)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC001167983450 1102885150 /nfs/dbraw/zinc/88/51/50/1102885150.db2.gz MBCJPUNRLUWSGX-DENIHFKCSA-N 0 3 369.505 4.226 20 10 FICDHN CC(C)(C)OC(=O)NCCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000729679349 1103029445 /nfs/dbraw/zinc/02/94/45/1103029445.db2.gz WEAXNIAFMPTGCI-UHFFFAOYSA-N 0 3 356.466 4.064 20 10 FICDHN C[C@H]([NH2+]Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)c1ccccc1[O-] ZINC000188595524 1104743454 /nfs/dbraw/zinc/74/34/54/1104743454.db2.gz PCHDRODMPRTJCC-HNNXBMFYSA-N 0 3 368.477 4.494 20 10 FICDHN CCc1nc2c(s1)[C@@H](NCc1ccc(N3CCSCC3)cc1)CCC2 ZINC000163608507 1113997561 /nfs/dbraw/zinc/99/75/61/1113997561.db2.gz ZCELLQWLRINVHN-KRWDZBQOSA-N 0 3 373.591 4.426 20 10 FICDHN c1ccc2c(c1)OCCC[C@H]2NCc1ccc(N2CCSCC2)cc1 ZINC000163615078 1114115150 /nfs/dbraw/zinc/11/51/50/1114115150.db2.gz VHKKHRQYABXKAG-HXUWFJFHSA-N 0 3 354.519 4.243 20 10 FICDHN Cc1nc(C(C)(C)C)sc1[C@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000151071054 1114289005 /nfs/dbraw/zinc/28/90/05/1114289005.db2.gz RDZONXRIMNHTOG-HNNXBMFYSA-N 0 3 373.566 4.436 20 10 FICDHN CC[C@@H]([NH2+]Cc1ccc(C)cc1OC[C@@H]1CCCO1)c1ccccc1[O-] ZINC000156336546 1114417732 /nfs/dbraw/zinc/41/77/32/1114417732.db2.gz BPVPRSOOPGTPJM-AZUAARDMSA-N 0 3 355.478 4.499 20 10 FICDHN COc1cc(C)cc(CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1O ZINC000164197871 1114444392 /nfs/dbraw/zinc/44/43/92/1114444392.db2.gz PFYZVDLWRPKGBT-UHFFFAOYSA-N 0 3 373.880 4.458 20 10 FICDHN Cc1ccc([C@@H](C)NCc2cn3cc(Br)cc(C)c3n2)c(O)c1 ZINC000760879588 1115126588 /nfs/dbraw/zinc/12/65/88/1115126588.db2.gz GGQKKAMQWGGIJC-CYBMUJFWSA-N 0 3 374.282 4.270 20 10 FICDHN FC(F)Oc1ccc(N2CCC[C@@H](NCc3cccnc3Cl)C2)cc1 ZINC000174621264 1116181645 /nfs/dbraw/zinc/18/16/45/1116181645.db2.gz ZTTNGUQILMWQFN-CQSZACIVSA-N 0 3 367.827 4.095 20 10 FICDHN O=C(Nc1ccc(F)cc1)c1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000152344880 1119213783 /nfs/dbraw/zinc/21/37/83/1119213783.db2.gz BXKUFIRSMQEQDZ-UHFFFAOYSA-N 0 3 350.393 4.073 20 10 FICDHN CC(=O)N[C@H]1CCCN(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1 ZINC000917470184 1122327979 /nfs/dbraw/zinc/32/79/79/1122327979.db2.gz QRHWPFARVHBODM-SFHVURJKSA-N 0 3 360.542 4.088 20 10 FICDHN C[C@@H](N[C@H]1CCc2c1cc(F)cc2F)c1ccc(N2CCOCC2)cc1 ZINC000154637261 1122544327 /nfs/dbraw/zinc/54/43/27/1122544327.db2.gz DQMSYIUBIWQOPL-SZNDQCEHSA-N 0 3 358.432 4.140 20 10 FICDHN O=C(Nc1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cc1)c1ccc(F)cc1 ZINC000180573793 1124372646 /nfs/dbraw/zinc/37/26/46/1124372646.db2.gz VPARXSRYHXTYEX-UHFFFAOYSA-N 0 3 368.383 4.213 20 10 FICDHN CN(C)c1ccc(CNCc2ccc(Oc3ccc(F)cc3)nc2)cc1 ZINC000069712308 1125121455 /nfs/dbraw/zinc/12/14/55/1125121455.db2.gz NVOGTANBMWCCPF-UHFFFAOYSA-N 0 3 351.425 4.369 20 10 FICDHN Cc1ccc(F)cc1CNCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC001648835236 1081276870 /nfs/dbraw/zinc/27/68/70/1081276870.db2.gz FKHBZTQMQFHBJX-HZPDHXFCSA-N 0 3 360.448 4.177 20 10 FICDHN CC[C@@H](N[C@H](CN1CCCC1=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000160721923 1082274527 /nfs/dbraw/zinc/27/45/27/1082274527.db2.gz ZHIYLXPVRKTBNX-FGZHOGPDSA-N 0 3 365.521 4.157 20 10 FICDHN O=C1CCCN1c1ccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cc1 ZINC000725844474 1083898338 /nfs/dbraw/zinc/89/83/38/1083898338.db2.gz ZAUGQVHUOBKTFR-UHFFFAOYSA-N 0 3 372.468 4.476 20 10 FICDHN CCNC(=O)c1cccc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000177880251 1084408858 /nfs/dbraw/zinc/40/88/58/1084408858.db2.gz YEBMXDHAAIAJAY-GOSISDBHSA-N 0 3 365.521 4.277 20 10 FICDHN CCCN(CC(=O)N(C1CC1)C1CCC(C)CC1)Cc1ccccc1O ZINC001167521753 1084439419 /nfs/dbraw/zinc/43/94/19/1084439419.db2.gz ILFBWHBYFCJSOC-UHFFFAOYSA-N 0 3 358.526 4.174 20 10 FICDHN CCCc1ccc(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)cc1 ZINC001269779714 1088569241 /nfs/dbraw/zinc/56/92/41/1088569241.db2.gz ZCWCRJFICVGMKX-UHFFFAOYSA-N 0 3 351.494 4.033 20 10 FICDHN CC(C)CCn1cccc1CNCc1ccc(N2CCSCC2)cc1 ZINC000236642069 1089038818 /nfs/dbraw/zinc/03/88/18/1089038818.db2.gz WDSTYDNPAJKELY-UHFFFAOYSA-N 0 3 357.567 4.377 20 10 FICDHN CCOc1ccc(C2(C[NH2+][C@H](C)c3cc(C)ccc3[O-])CCOCC2)cc1 ZINC000185126905 1090510727 /nfs/dbraw/zinc/51/07/27/1090510727.db2.gz AUEMKXZCYOMUDS-GOSISDBHSA-N 0 3 369.505 4.498 20 10 FICDHN CC(=O)Nc1ccc(CC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cc1 ZINC000728782505 1091017163 /nfs/dbraw/zinc/01/71/63/1091017163.db2.gz RXMJOQDTHDHTRO-UHFFFAOYSA-N 0 3 360.457 4.350 20 10 FICDHN COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]Cc2ccccc2[O-])c1 ZINC000759813888 1091182594 /nfs/dbraw/zinc/18/25/94/1091182594.db2.gz WCSMMTWHVRIGJO-UHFFFAOYSA-N 0 3 365.477 4.309 20 10 FICDHN CCN1CC[C@H]([NH2+][C@H](C)c2ccccc2[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000783533699 1094435985 /nfs/dbraw/zinc/43/59/85/1094435985.db2.gz VJYTVWJGDUJJEN-GIJMVEMTSA-N 0 3 364.411 4.296 20 10 FICDHN CC[C@H]([NH2+]C[C@H]1CSCCN1Cc1ccccc1)c1ccccc1[O-] ZINC000760017658 1096133937 /nfs/dbraw/zinc/13/39/37/1096133937.db2.gz NNKXZDHTSGUJBN-ICSRJNTNSA-N 0 3 356.535 4.051 20 10 FICDHN CC[C@H]([NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1ccccc1[O-] ZINC000760040626 1104996447 /nfs/dbraw/zinc/99/64/47/1104996447.db2.gz UESBLLQDOHKSHB-BVSLBCMMSA-N 0 3 357.469 4.346 20 10 FICDHN Cc1noc(C[C@H]([NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)c2ccccc2)n1 ZINC000760052149 1105218552 /nfs/dbraw/zinc/21/85/52/1105218552.db2.gz PZGQQRRUGZEHTO-OAUYIBNBSA-N 0 3 367.424 4.345 20 10 FICDHN CN(Cc1cc2cc(F)ccc2o1)Cc1ccc(N2CCOCC2)cc1 ZINC000121294256 1106854241 /nfs/dbraw/zinc/85/42/41/1106854241.db2.gz NNGQSMXSJYNCRJ-UHFFFAOYSA-N 0 3 354.425 4.041 20 10 FICDHN Oc1cccc2c1[C@@H](NCc1ccc(Br)c(F)c1F)CC2 ZINC000527986980 1109887153 /nfs/dbraw/zinc/88/71/53/1109887153.db2.gz MVWAHTPPDQZFGW-LBPRGKRZSA-N 0 3 354.194 4.210 20 10 FICDHN Oc1cccc2c1[C@H](NCc1ccc(Br)c(F)c1F)CC2 ZINC000527986978 1109887358 /nfs/dbraw/zinc/88/73/58/1109887358.db2.gz MVWAHTPPDQZFGW-GFCCVEGCSA-N 0 3 354.194 4.210 20 10 FICDHN C[C@@H]([NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CC(F)(F)C1 ZINC000529550879 1110287321 /nfs/dbraw/zinc/28/73/21/1110287321.db2.gz QJJIKXUYMPDWGE-MLGOLLRUSA-N 0 3 358.860 4.033 20 10 FICDHN CCOc1ccc(C[NH2+]Cc2cc(Br)ccc2C)c([O-])c1 ZINC000783995291 1113458431 /nfs/dbraw/zinc/45/84/31/1113458431.db2.gz XDHLRRZLIZEQEQ-UHFFFAOYSA-N 0 3 350.256 4.152 20 10 FICDHN COc1cc(Cl)cc(CN(CCCO)Cc2cccc(Cl)c2)c1O ZINC000761206301 1115622191 /nfs/dbraw/zinc/62/21/91/1115622191.db2.gz VRCVLOSEWFVWCO-UHFFFAOYSA-N 0 3 370.276 4.092 20 10 FICDHN COc1cc(Cl)cc(C[N@H+](CCCO)Cc2cccc(Cl)c2)c1[O-] ZINC000761206301 1115622192 /nfs/dbraw/zinc/62/21/92/1115622192.db2.gz VRCVLOSEWFVWCO-UHFFFAOYSA-N 0 3 370.276 4.092 20 10 FICDHN COc1cc(Cl)cc(C[N@@H+](CCCO)Cc2cccc(Cl)c2)c1[O-] ZINC000761206301 1115622194 /nfs/dbraw/zinc/62/21/94/1115622194.db2.gz VRCVLOSEWFVWCO-UHFFFAOYSA-N 0 3 370.276 4.092 20 10 FICDHN COc1cc(Cl)cc(C[NH2+][C@H](C)[C@@H](OC)c2ccc(F)cc2)c1[O-] ZINC000761216688 1115648648 /nfs/dbraw/zinc/64/86/48/1115648648.db2.gz WDQBGBOJAGKWFV-ADLMAVQZSA-N 0 3 353.821 4.059 20 10 FICDHN COc1cc(CN(C)Cc2ccc(OC)c(F)c2)c(O)c(C(C)(C)C)c1 ZINC000917358038 1122279751 /nfs/dbraw/zinc/27/97/51/1122279751.db2.gz SIHUSCCAQPVHDQ-UHFFFAOYSA-N 0 3 361.457 4.478 20 10 FICDHN Cc1cc(O)c(CN2CCCN(C(=O)OC(C)(C)C)CC2)cc1C(C)C ZINC000917488178 1122333745 /nfs/dbraw/zinc/33/37/45/1122333745.db2.gz MRVUJAGHSZGXAK-UHFFFAOYSA-N 0 3 362.514 4.267 20 10 FICDHN Oc1cc2c(cc1CN1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)CCC2 ZINC000918736716 1122766976 /nfs/dbraw/zinc/76/69/76/1122766976.db2.gz XNGKWZTUONXOKC-OKILXGFUSA-N 0 3 367.333 4.444 20 10 FICDHN CCC[N@H+](Cc1cccc(C)c1[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000179935568 1124147918 /nfs/dbraw/zinc/14/79/18/1124147918.db2.gz YHNZFJWDPQEQSC-UHFFFAOYSA-N 0 3 366.505 4.217 20 10 FICDHN CCC[N@@H+](Cc1cccc(C)c1[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000179935568 1124147922 /nfs/dbraw/zinc/14/79/22/1124147922.db2.gz YHNZFJWDPQEQSC-UHFFFAOYSA-N 0 3 366.505 4.217 20 10 FICDHN [O-]c1ccccc1C[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000238096838 1124282959 /nfs/dbraw/zinc/28/29/59/1124282959.db2.gz AOZRKTKWIPSVCZ-UHFFFAOYSA-N 0 3 365.395 4.249 20 10 FICDHN COc1cc(O)c(CN(C)[C@H](C)c2sc(C(C)C)nc2C)cc1OC ZINC000180617724 1124379077 /nfs/dbraw/zinc/37/90/77/1124379077.db2.gz XKOJEGORNOHFCF-CYBMUJFWSA-N 0 3 364.511 4.491 20 10 FICDHN C[C@@](O)(C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])c1ccsc1 ZINC000183157812 1125761940 /nfs/dbraw/zinc/76/19/40/1125761940.db2.gz UUCIHPNNBNPXIK-OAQYLSRUSA-N 0 3 369.486 4.030 20 10 FICDHN COc1cc(O)c(CN2CCS[C@@H](C)[C@@H]2c2ccccc2)cc1OC ZINC000160272704 1080701201 /nfs/dbraw/zinc/70/12/01/1080701201.db2.gz KVJWYAZLCOZTPI-VBKZILBWSA-N 0 3 359.491 4.088 20 10 FICDHN CN(C)c1ccc(CNCc2ccc(Br)c(Cl)c2)cc1 ZINC000234265554 1082134761 /nfs/dbraw/zinc/13/47/61/1082134761.db2.gz FSCJWURGHFPTAJ-UHFFFAOYSA-N 0 3 353.691 4.458 20 10 FICDHN O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179575749 1083568090 /nfs/dbraw/zinc/56/80/90/1083568090.db2.gz PYSIUBCRSAFPFJ-UHFFFAOYSA-N 0 3 362.832 4.035 20 10 FICDHN CC[C@H](N[C@@H](Cc1nc(C)no1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000277028518 1083723292 /nfs/dbraw/zinc/72/32/92/1083723292.db2.gz FAUVPNDKWLTRBR-SFTDATJTSA-N 0 3 364.493 4.469 20 10 FICDHN Cc1cc(C(=O)Nc2cc(CN(C)C)ccc2C)c(C)n1-c1ccccn1 ZINC000177309981 1083853805 /nfs/dbraw/zinc/85/38/05/1083853805.db2.gz QRUQOOMUQANMQX-UHFFFAOYSA-N 0 3 362.477 4.111 20 10 FICDHN CCN(CC)c1ccc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)cc1F ZINC000158708707 1085004765 /nfs/dbraw/zinc/00/47/65/1085004765.db2.gz ITYOAIOKVATVTO-ODCWNRFASA-N 0 3 362.514 4.260 20 10 FICDHN COc1cc(Br)cc(C[NH2+][C@H](C)CCCC(F)(F)F)c1[O-] ZINC000755223461 1085571527 /nfs/dbraw/zinc/57/15/27/1085571527.db2.gz OLNAJTYTNDSIRE-SECBINFHSA-N 0 3 370.209 4.374 20 10 FICDHN CCN(CC)c1ccc(CN[C@H](C)c2sc(CCOC)nc2C)cc1 ZINC000181384483 1088421969 /nfs/dbraw/zinc/42/19/69/1088421969.db2.gz XTLRLOTWNCAAMZ-OAHLLOKOSA-N 0 3 361.555 4.337 20 10 FICDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000311305405 1088549397 /nfs/dbraw/zinc/54/93/97/1088549397.db2.gz PSCUNSGBUYIDMR-KKSFZXQISA-N 0 3 362.514 4.388 20 10 FICDHN Cc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)c(OC[C@H]2CCOC2)c1 ZINC000167177487 1088640069 /nfs/dbraw/zinc/64/00/69/1088640069.db2.gz AJSBLFHEBWEHFP-OALUTQOASA-N 0 3 368.521 4.327 20 10 FICDHN C[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1nccs1 ZINC000378394138 1090340000 /nfs/dbraw/zinc/34/00/00/1090340000.db2.gz JLNFWMUYESLMLE-GFCCVEGCSA-N 0 3 353.438 4.064 20 10 FICDHN COCCN(CCN(C)C)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000729546078 1093642834 /nfs/dbraw/zinc/64/28/34/1093642834.db2.gz HLSXOOBVQZJZSL-UHFFFAOYSA-N 0 3 369.469 4.144 20 10 FICDHN CC[C@@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1ccc(C)cc1[O-] ZINC000280097400 1094293519 /nfs/dbraw/zinc/29/35/19/1094293519.db2.gz MVMREOFYNGHACP-HXUWFJFHSA-N 0 3 352.478 4.064 20 10 FICDHN CC[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(C)cc1[O-] ZINC000280278023 1094324115 /nfs/dbraw/zinc/32/41/15/1094324115.db2.gz YIEYAIMPDWZYND-HNAYVOBHSA-N 0 3 354.450 4.459 20 10 FICDHN COc1cccc(CN[C@H](COc2ccccc2F)c2ccccc2)c1O ZINC000237421430 1099495168 /nfs/dbraw/zinc/49/51/68/1099495168.db2.gz HSBAVIIGZDAVHJ-LJQANCHMSA-N 0 3 367.420 4.450 20 10 FICDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c1 ZINC000760037092 1104926036 /nfs/dbraw/zinc/92/60/36/1104926036.db2.gz HETRDOFFOOMZOD-USCONSEESA-N 0 3 357.469 4.264 20 10 FICDHN Cc1ccc([C@H](C)[NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)c([O-])c1 ZINC000760041110 1105036625 /nfs/dbraw/zinc/03/66/25/1105036625.db2.gz VUTMBKNEXVRWJM-WQTXXOFMSA-N 0 3 357.469 4.264 20 10 FICDHN COc1ccc(N2CCC(N[C@@H](c3nc(C)cs3)C3CC3)CC2)cc1 ZINC000120212057 1110213023 /nfs/dbraw/zinc/21/30/23/1110213023.db2.gz MBKUBRYOUSRMFC-LJQANCHMSA-N 0 3 357.523 4.170 20 10 FICDHN Cc1nc(-c2cccnc2)sc1[C@H](C)NCc1ccc(N(C)C)cc1 ZINC000160547508 1113404431 /nfs/dbraw/zinc/40/44/31/1113404431.db2.gz YTXKYQHWSZTAOY-AWEZNQCLSA-N 0 3 352.507 4.430 20 10 FICDHN CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1ccccc1[O-] ZINC000155827987 1113887343 /nfs/dbraw/zinc/88/73/43/1113887343.db2.gz RGNZFTRHEMMISN-MGPUTAFESA-N 0 3 372.484 4.294 20 10 FICDHN CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1ccccc1[O-] ZINC000155827882 1113887529 /nfs/dbraw/zinc/88/75/29/1113887529.db2.gz RGNZFTRHEMMISN-YWZLYKJASA-N 0 3 372.484 4.294 20 10 FICDHN c1ccc2c(c1)CCSC[C@@H]2NCc1ccc(N2CCSCC2)cc1 ZINC000163623926 1114243288 /nfs/dbraw/zinc/24/32/88/1114243288.db2.gz KZOOVEJZQCUWKZ-NRFANRHFSA-N 0 3 370.587 4.360 20 10 FICDHN Cc1cc(C)c(O)c(CN2CCCN(C(=O)c3cccc(Cl)c3)CC2)c1 ZINC000164201930 1114443590 /nfs/dbraw/zinc/44/35/90/1114443590.db2.gz ZKNCOMXEHDVBHG-UHFFFAOYSA-N 0 3 372.896 4.011 20 10 FICDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H]4[C@H](CCCN4C4CC4)C3)c2c1 ZINC000157960341 1115412616 /nfs/dbraw/zinc/41/26/16/1115412616.db2.gz DGLPFROKKJJKPK-VGSWGCGISA-N 0 3 366.505 4.003 20 10 FICDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H]4[C@H](CCCN4C4CC4)C3)c2c1 ZINC000157960341 1115412618 /nfs/dbraw/zinc/41/26/18/1115412618.db2.gz DGLPFROKKJJKPK-VGSWGCGISA-N 0 3 366.505 4.003 20 10 FICDHN COc1cc(Cl)cc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1[O-] ZINC000761194747 1115613211 /nfs/dbraw/zinc/61/32/11/1115613211.db2.gz HGYFTTUILYAOAG-SFHVURJKSA-N 0 3 361.869 4.235 20 10 FICDHN COc1cc(Cl)cc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1[O-] ZINC000761194747 1115613212 /nfs/dbraw/zinc/61/32/12/1115613212.db2.gz HGYFTTUILYAOAG-SFHVURJKSA-N 0 3 361.869 4.235 20 10 FICDHN COc1cc(Cl)cc(CN(Cc2ccccc2)C[C@@H]2CCCO2)c1O ZINC000761194747 1115613213 /nfs/dbraw/zinc/61/32/13/1115613213.db2.gz HGYFTTUILYAOAG-SFHVURJKSA-N 0 3 361.869 4.235 20 10 FICDHN CCOC(=O)CCN(Cc1cccnc1)Cc1cc(C(C)C)c(C)cc1O ZINC000060320093 1115616034 /nfs/dbraw/zinc/61/60/34/1115616034.db2.gz ULJWDHQUEIOKOA-UHFFFAOYSA-N 0 3 370.493 4.174 20 10 FICDHN COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)c1[O-] ZINC000761195838 1115616100 /nfs/dbraw/zinc/61/61/00/1115616100.db2.gz PWXIHBCUWLRRFZ-MJGOQNOKSA-N 0 3 361.869 4.142 20 10 FICDHN COc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)c1[O-] ZINC000761195838 1115616101 /nfs/dbraw/zinc/61/61/01/1115616101.db2.gz PWXIHBCUWLRRFZ-MJGOQNOKSA-N 0 3 361.869 4.142 20 10 FICDHN CCOC1CC[NH+](Cc2c([O-])ccc3cc(Br)ccc32)CC1 ZINC000060445618 1115640027 /nfs/dbraw/zinc/64/00/27/1115640027.db2.gz KXMZJJZKEPQBSZ-UHFFFAOYSA-N 0 3 364.283 4.309 20 10 FICDHN CCCCCn1cc(CNCc2cc(Cl)cc(OC)c2O)c(C)n1 ZINC000761216793 1115647302 /nfs/dbraw/zinc/64/73/02/1115647302.db2.gz XNAADPZDZAQFTJ-UHFFFAOYSA-N 0 3 351.878 4.039 20 10 FICDHN CCCCCn1cc(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])c(C)n1 ZINC000761216793 1115647303 /nfs/dbraw/zinc/64/73/03/1115647303.db2.gz XNAADPZDZAQFTJ-UHFFFAOYSA-N 0 3 351.878 4.039 20 10 FICDHN COc1cc(Br)cc(C[NH2+]C2(c3ccccc3)CCC2)c1[O-] ZINC000171129225 1115838727 /nfs/dbraw/zinc/83/87/27/1115838727.db2.gz FHTYTLOQQBXQPT-UHFFFAOYSA-N 0 3 362.267 4.332 20 10 FICDHN CCOc1ccccc1[C@H](C)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000151588941 1118941783 /nfs/dbraw/zinc/94/17/83/1118941783.db2.gz RROFNWLZHKLGIJ-SFHVURJKSA-N 0 3 368.521 4.145 20 10 FICDHN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cccc(CN(C)C)c1 ZINC000917513682 1122342107 /nfs/dbraw/zinc/34/21/07/1122342107.db2.gz QQAPJBKEQRJEJY-UHFFFAOYSA-N 0 3 353.491 4.470 20 10 FICDHN Oc1ccccc1CN(Cc1ccco1)Cc1cccc(-n2cccn2)c1 ZINC000154710407 1122634515 /nfs/dbraw/zinc/63/45/15/1122634515.db2.gz QWPUHWFLUJYWFX-UHFFFAOYSA-N 0 3 359.429 4.373 20 10 FICDHN CCOc1ccc(Oc2cc(C[NH2+]Cc3cc(F)ccc3[O-])ccn2)cc1 ZINC000180492509 1124352404 /nfs/dbraw/zinc/35/24/04/1124352404.db2.gz DEIQQWOLCGURRU-UHFFFAOYSA-N 0 3 368.408 4.407 20 10 FICDHN Cc1ccccc1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000069714800 1125121092 /nfs/dbraw/zinc/12/10/92/1125121092.db2.gz QVFMVOSOLIBWFG-UHFFFAOYSA-N 0 3 364.411 4.140 20 10 FICDHN CC(C)(C)Oc1cccc(CNCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC001648835417 1081276581 /nfs/dbraw/zinc/27/65/81/1081276581.db2.gz NKAKGPIDJXUKNW-UHFFFAOYSA-N 0 3 372.484 4.129 20 10 FICDHN Oc1cc2c(cc1CNC1(c3ccc(F)cc3F)CCOCC1)CCCC2 ZINC000160519681 1081969101 /nfs/dbraw/zinc/96/91/01/1081969101.db2.gz LSTATOXOZYPFMF-UHFFFAOYSA-N 0 3 373.443 4.345 20 10 FICDHN COc1ccc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1F ZINC000162260406 1083934891 /nfs/dbraw/zinc/93/48/91/1083934891.db2.gz TXZPDNSDZLPMNL-CVEARBPZSA-N 0 3 358.457 4.083 20 10 FICDHN C[C@@H](N[C@@H]1CCc2cc(F)ccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000178089976 1084668660 /nfs/dbraw/zinc/66/86/60/1084668660.db2.gz UFDVYDCRTSVANT-JLTOFOAXSA-N 0 3 358.432 4.140 20 10 FICDHN CC[C@@H]([NH2+]C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000311295552 1088535214 /nfs/dbraw/zinc/53/52/14/1088535214.db2.gz COYJSILFMIDZMV-DYESRHJHSA-N 0 3 362.514 4.470 20 10 FICDHN [O-]c1ccc(F)cc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000180547372 1090214826 /nfs/dbraw/zinc/21/48/26/1090214826.db2.gz PMLKYVGTTDBVLP-UHFFFAOYSA-N 0 3 374.419 4.069 20 10 FICDHN CCN(Cc1ccccc1)c1ccc(CNCc2ccnc(OC)c2)cc1 ZINC000236966855 1093237693 /nfs/dbraw/zinc/23/76/93/1093237693.db2.gz SLOGILFHKUQLNS-UHFFFAOYSA-N 0 3 361.489 4.407 20 10 FICDHN C[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])Oc1ccccc1Br ZINC000783517569 1093358598 /nfs/dbraw/zinc/35/85/98/1093358598.db2.gz LHNXPSWPDQYCEG-STQMWFEESA-N 0 3 350.256 4.273 20 10 FICDHN C[C@@H]([NH2+]C[C@H](C)Oc1ccc(Br)cc1)c1ccccc1[O-] ZINC000783517602 1093376534 /nfs/dbraw/zinc/37/65/34/1093376534.db2.gz LPMYUMWNTYWEMW-QWHCGFSZSA-N 0 3 350.256 4.273 20 10 FICDHN Cn1cccc1C[N@H+](C)Cc1c([O-])ccc2cc(Br)ccc21 ZINC000760408837 1101961125 /nfs/dbraw/zinc/96/11/25/1101961125.db2.gz UXQNQKAEVURBHX-UHFFFAOYSA-N 0 3 359.267 4.278 20 10 FICDHN Cn1cccc1C[N@@H+](C)Cc1c([O-])ccc2cc(Br)ccc21 ZINC000760408837 1101961131 /nfs/dbraw/zinc/96/11/31/1101961131.db2.gz UXQNQKAEVURBHX-UHFFFAOYSA-N 0 3 359.267 4.278 20 10 FICDHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001167984667 1103214249 /nfs/dbraw/zinc/21/42/49/1103214249.db2.gz VNSRXORLRPDMST-QNWVGRARSA-N 0 3 367.489 4.294 20 10 FICDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001167984667 1103214260 /nfs/dbraw/zinc/21/42/60/1103214260.db2.gz VNSRXORLRPDMST-QNWVGRARSA-N 0 3 367.489 4.294 20 10 FICDHN COCC1CCC([NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])CC1 ZINC000840875513 1106967580 /nfs/dbraw/zinc/96/75/80/1106967580.db2.gz HVDOEWORQOITKO-DNOWBOINSA-N 0 3 356.304 4.319 20 10 FICDHN CCN(C)c1ccc([C@H](C)NCc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000160643880 1113427431 /nfs/dbraw/zinc/42/74/31/1113427431.db2.gz BPOMTPHLJNYZPH-HNNXBMFYSA-N 0 3 358.482 4.019 20 10 FICDHN CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1ccccc1[O-] ZINC000155828211 1113887175 /nfs/dbraw/zinc/88/71/75/1113887175.db2.gz RGNZFTRHEMMISN-FOIQADDNSA-N 0 3 372.484 4.294 20 10 FICDHN Cc1ccc(O)c([C@H](C)NCc2cn3cc(Br)cc(C)c3n2)c1 ZINC000760882699 1115120823 /nfs/dbraw/zinc/12/08/23/1115120823.db2.gz ZENYLFRVGAHRTC-ZDUSSCGKSA-N 0 3 374.282 4.270 20 10 FICDHN CC[C@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)c1ccccc1[O-] ZINC000157966270 1115414968 /nfs/dbraw/zinc/41/49/68/1115414968.db2.gz FMELWBNAQVRNFZ-KRWDZBQOSA-N 0 3 355.413 4.255 20 10 FICDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2F)c1[O-] ZINC000761214228 1115645726 /nfs/dbraw/zinc/64/57/26/1115645726.db2.gz AGMZNXHBKRSIDU-BBATYDOGSA-N 0 3 353.821 4.059 20 10 FICDHN COc1ccc(N2CCC(N[C@@H](COCC(C)C)c3ccco3)CC2)cc1 ZINC000152596333 1119458607 /nfs/dbraw/zinc/45/86/07/1119458607.db2.gz PCESWRXQURUOBB-NRFANRHFSA-N 0 3 372.509 4.261 20 10 FICDHN Cc1ccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000916837835 1121878504 /nfs/dbraw/zinc/87/85/04/1121878504.db2.gz VOMTZYMPNAWGBX-UHFFFAOYSA-N 0 3 353.466 4.492 20 10 FICDHN COc1ccc(N2CCC(N[C@@H](c3ccccc3)c3ccccn3)CC2)cc1 ZINC000154622431 1122529129 /nfs/dbraw/zinc/52/91/29/1122529129.db2.gz JMADDMHVRKSGBK-DEOSSOPVSA-N 0 3 373.500 4.438 20 10 FICDHN CCN(C)c1ccc([C@@H](C)NCc2ccc(OCC(F)(F)F)nc2)cc1 ZINC000154956609 1122958560 /nfs/dbraw/zinc/95/85/60/1122958560.db2.gz XBKXYJVMQDFGMU-CQSZACIVSA-N 0 3 367.415 4.330 20 10 FICDHN O=C(CC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1)NC1CCCC1 ZINC000920086359 1123344863 /nfs/dbraw/zinc/34/48/63/1123344863.db2.gz GOPCZOFSQKVHSI-UHFFFAOYSA-N 0 3 366.505 4.206 20 10 FICDHN CCOc1ccc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000920413742 1123454006 /nfs/dbraw/zinc/45/40/06/1123454006.db2.gz HFZPYHYMGOWQQW-UHFFFAOYSA-N 0 3 369.465 4.274 20 10 FICDHN [O-]c1ccccc1C[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000238095874 1124278587 /nfs/dbraw/zinc/27/85/87/1124278587.db2.gz IALADKMJCMCTJY-UHFFFAOYSA-N 0 3 364.411 4.165 20 10 FICDHN N#Cc1ccc(CNCc2ccc(OCc3ccccc3)cc2O)c(F)c1 ZINC000183153831 1125762225 /nfs/dbraw/zinc/76/22/25/1125762225.db2.gz QDIOFMQZKFVVJX-UHFFFAOYSA-N 0 3 362.404 4.272 20 10 FICDHN CC[C@H]([NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccccc1[O-] ZINC000155181115 1080677025 /nfs/dbraw/zinc/67/70/25/1080677025.db2.gz WCFFUOVMUWMMGZ-KUHUBIRLSA-N 0 3 353.466 4.478 20 10 FICDHN CN1CCCc2cc(CNCc3ccc(Br)s3)ccc21 ZINC000050266784 1081988396 /nfs/dbraw/zinc/98/83/96/1081988396.db2.gz JXJSGHREUSFPEY-UHFFFAOYSA-N 0 3 351.313 4.183 20 10 FICDHN CCCNC(=O)c1cccc(CN[C@H](CC)c2ccc(N(C)C)cc2)c1 ZINC000160601825 1082090564 /nfs/dbraw/zinc/09/05/64/1082090564.db2.gz DZDOBCYKTOWGKE-OAQYLSRUSA-N 0 3 353.510 4.133 20 10 FICDHN CC[C@@H]([NH2+]CCCc1nnc(SC)n1CC(C)C)c1ccccc1[O-] ZINC000155824127 1082093184 /nfs/dbraw/zinc/09/31/84/1082093184.db2.gz RBTGOGJVXPOIKH-MRXNPFEDSA-N 0 3 362.543 4.035 20 10 FICDHN CC[C@H](N[C@@H](CN1CCCC1=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000160721536 1082274539 /nfs/dbraw/zinc/27/45/39/1082274539.db2.gz ZHIYLXPVRKTBNX-VXKWHMMOSA-N 0 3 365.521 4.157 20 10 FICDHN C[C@@H](NCc1ccc2c(c1)OCCO2)c1ccc(N2CCCCC2)cc1 ZINC000178210365 1082983620 /nfs/dbraw/zinc/98/36/20/1082983620.db2.gz OOUJRKPKFGIZMJ-QGZVFWFLSA-N 0 3 352.478 4.299 20 10 FICDHN CCOc1cccc2cc([C@@H](C)NCc3ccc(OC)c(OC)c3O)oc21 ZINC000892475964 1083595648 /nfs/dbraw/zinc/59/56/48/1083595648.db2.gz MYCNQFSTQDQPKH-CYBMUJFWSA-N 0 3 371.433 4.405 20 10 FICDHN CCOCCOc1cc(C)ccc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000167142965 1083633145 /nfs/dbraw/zinc/63/31/45/1083633145.db2.gz LDWFUPOZJPQXSS-GOSISDBHSA-N 0 3 356.510 4.327 20 10 FICDHN Cc1cccnc1[C@H](NCc1ccc(N2CCOCC2)cc1)C(C)(C)C ZINC000934287289 1084627906 /nfs/dbraw/zinc/62/79/06/1084627906.db2.gz OENOZNIUODONDG-NRFANRHFSA-N 0 3 353.510 4.104 20 10 FICDHN CCN(CC)c1ccc(CN(C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000180286429 1085000715 /nfs/dbraw/zinc/00/07/15/1085000715.db2.gz AGQSTLUVZPJYDG-GKVSMKOHSA-N 0 3 358.551 4.463 20 10 FICDHN Cc1csc(=O)n1CC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000176682740 1085176741 /nfs/dbraw/zinc/17/67/41/1085176741.db2.gz IPEVQQLNLAVFDG-KRWDZBQOSA-N 0 3 368.502 4.187 20 10 FICDHN Cc1csc(=O)n1CC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000176682740 1085176749 /nfs/dbraw/zinc/17/67/49/1085176749.db2.gz IPEVQQLNLAVFDG-KRWDZBQOSA-N 0 3 368.502 4.187 20 10 FICDHN CC[C@@H]([NH2+]C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1[O-] ZINC000311295559 1088534713 /nfs/dbraw/zinc/53/47/13/1088534713.db2.gz COYJSILFMIDZMV-UTKZUKDTSA-N 0 3 362.514 4.470 20 10 FICDHN C[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1)c1ccccc1[O-] ZINC000183472507 1090416423 /nfs/dbraw/zinc/41/64/23/1090416423.db2.gz RVDJXUXFPQFEPP-KRWDZBQOSA-N 0 3 370.456 4.491 20 10 FICDHN COc1ccc2ccc(O)c(CN(C)Cc3ccccc3[N+](=O)[O-])c2c1 ZINC000025479188 1091187999 /nfs/dbraw/zinc/18/79/99/1091187999.db2.gz QMYLAALOXIODPA-UHFFFAOYSA-N 0 3 352.390 4.094 20 10 FICDHN CN(Cc1coc2ccc(F)cc12)Cc1ccc(N2CCOCC2)cc1 ZINC001141852650 1093773761 /nfs/dbraw/zinc/77/37/61/1093773761.db2.gz LWOOWVIMXMKCDQ-UHFFFAOYSA-N 0 3 354.425 4.041 20 10 FICDHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C)CC(F)F)c1[O-] ZINC000848555132 1095870176 /nfs/dbraw/zinc/87/01/76/1095870176.db2.gz LWAHHJXDABHCFX-IUCAKERBSA-N 0 3 352.219 4.105 20 10 FICDHN C[C@@H]([NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1[O-] ZINC000183419078 1101627895 /nfs/dbraw/zinc/62/78/95/1101627895.db2.gz JXHXPYLEFCQWNB-CYBMUJFWSA-N 0 3 365.399 4.126 20 10 FICDHN CC[C@H](C[NH2+]Cc1cc(Br)cc(OC)c1[O-])CC(F)(F)F ZINC000840960899 1107982640 /nfs/dbraw/zinc/98/26/40/1107982640.db2.gz XKNDZKFLPFOOEY-VIFPVBQESA-N 0 3 370.209 4.232 20 10 FICDHN Cc1cc(O)c(CNCc2ccc(Br)c(F)c2F)cc1C ZINC000527791981 1109824774 /nfs/dbraw/zinc/82/47/74/1109824774.db2.gz PIMUMXBAWNEEMC-UHFFFAOYSA-N 0 3 356.210 4.340 20 10 FICDHN Cc1cc(Br)cc(C[NH2+][C@H](c2ccccn2)C2CCC2)c1[O-] ZINC000529643877 1110298977 /nfs/dbraw/zinc/29/89/77/1110298977.db2.gz KEEUCLZJGSKIEC-KRWDZBQOSA-N 0 3 361.283 4.489 20 10 FICDHN COc1ccc(C)cc1[C@@H](C)NCc1ccc(N2CCSCC2)cc1 ZINC000163603119 1113983189 /nfs/dbraw/zinc/98/31/89/1113983189.db2.gz ALVKCUQXUQHZRV-QGZVFWFLSA-N 0 3 356.535 4.408 20 10 FICDHN COc1ccc([C@H](C)NCc2ccc(N3CCSCC3)cc2)c(OC)c1 ZINC000163624295 1114243154 /nfs/dbraw/zinc/24/31/54/1114243154.db2.gz QTLXJPAXUKFIEW-INIZCTEOSA-N 0 3 372.534 4.108 20 10 FICDHN COc1cc(Cl)cc(CN2CCC(OC3CCCCC3)CC2)c1O ZINC000761196048 1115617470 /nfs/dbraw/zinc/61/74/70/1115617470.db2.gz UKTVVEBGCYLISY-UHFFFAOYSA-N 0 3 353.890 4.368 20 10 FICDHN COc1cc(Cl)cc(CN2CCC(Nc3cccc(C)c3)CC2)c1O ZINC000761203949 1115620125 /nfs/dbraw/zinc/62/01/25/1115620125.db2.gz ZOSMOABSYXSONJ-UHFFFAOYSA-N 0 3 360.885 4.439 20 10 FICDHN COc1ccc(OC)c(CN(Cc2cc3c(cc2O)CCC3)C2CC2)c1 ZINC000914570225 1120375079 /nfs/dbraw/zinc/37/50/79/1120375079.db2.gz SSCHYMHVUVYKAH-UHFFFAOYSA-N 0 3 353.462 4.063 20 10 FICDHN Fc1cc(CN[C@@H]2CCCc3ccc(Cl)cc32)ccc1N1CCOCC1 ZINC000762473909 1120913266 /nfs/dbraw/zinc/91/32/66/1120913266.db2.gz AWMSDMBTUACCLQ-HXUWFJFHSA-N 0 3 374.887 4.483 20 10 FICDHN CCOc1ccc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)o1 ZINC001649029623 1121394210 /nfs/dbraw/zinc/39/42/10/1121394210.db2.gz VTLRBLKPAJVMIZ-UHFFFAOYSA-N 0 3 366.408 4.038 20 10 FICDHN CC(C)c1ccc(C[C@H]2CC[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)cc1 ZINC000763392405 1121575218 /nfs/dbraw/zinc/57/52/18/1121575218.db2.gz HLDKWDUXMLCIEJ-VGOFRKELSA-N 0 3 367.489 4.006 20 10 FICDHN CC(C)c1ccc(C[C@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)cc1 ZINC000763392405 1121575225 /nfs/dbraw/zinc/57/52/25/1121575225.db2.gz HLDKWDUXMLCIEJ-VGOFRKELSA-N 0 3 367.489 4.006 20 10 FICDHN CC(=O)N[C@@H]1CCCN(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1 ZINC000917470183 1122328102 /nfs/dbraw/zinc/32/81/02/1122328102.db2.gz QRHWPFARVHBODM-GOSISDBHSA-N 0 3 360.542 4.088 20 10 FICDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCCN(c4ccccc4)CC3)c2c1 ZINC000917486329 1122332504 /nfs/dbraw/zinc/33/25/04/1122332504.db2.gz XNQAWQQAMUNNAW-UHFFFAOYSA-N 0 3 362.473 4.266 20 10 FICDHN COc1ccc2ccc([O-])c(C[N@H+]3CCCN(c4ccccc4)CC3)c2c1 ZINC000917486329 1122332509 /nfs/dbraw/zinc/33/25/09/1122332509.db2.gz XNQAWQQAMUNNAW-UHFFFAOYSA-N 0 3 362.473 4.266 20 10 FICDHN CCC[N@H+](Cc1cc(F)ccc1[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000180019081 1124199696 /nfs/dbraw/zinc/19/96/96/1124199696.db2.gz UDWQMXHHPZDPRI-UHFFFAOYSA-N 0 3 370.468 4.048 20 10 FICDHN CCC[N@@H+](Cc1cc(F)ccc1[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000180019081 1124199703 /nfs/dbraw/zinc/19/97/03/1124199703.db2.gz UDWQMXHHPZDPRI-UHFFFAOYSA-N 0 3 370.468 4.048 20 10 FICDHN Cc1cccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000069714772 1125121067 /nfs/dbraw/zinc/12/10/67/1125121067.db2.gz YYIQNOUCGNDECR-UHFFFAOYSA-N 0 3 364.411 4.140 20 10 FICDHN CCN(CC)c1ccc(CN[C@@H](C)c2ccc(NC(C)=O)cc2)cc1F ZINC000182073822 1125230626 /nfs/dbraw/zinc/23/06/26/1125230626.db2.gz QVPUCOMHEKFQIS-HNNXBMFYSA-N 0 3 357.473 4.481 20 10 FICDHN CCN(CC)c1ccc(CN[C@H](C)c2ccc(NC(C)=O)cc2)cc1F ZINC000182073847 1125230805 /nfs/dbraw/zinc/23/08/05/1125230805.db2.gz QVPUCOMHEKFQIS-OAHLLOKOSA-N 0 3 357.473 4.481 20 10 FICDHN CCN1CCN(c2cccc(NC(=O)c3ccc(Cl)c(C)c3)c2)CC1 ZINC001128313819 1125275496 /nfs/dbraw/zinc/27/54/96/1125275496.db2.gz WSXIJXSHKFXUJL-UHFFFAOYSA-N 0 3 357.885 4.043 20 10 FICDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2c(C)cccc2C(C)C)c1 ZINC000182339178 1125414647 /nfs/dbraw/zinc/41/46/47/1125414647.db2.gz MQOLBYUPPRCCHU-HNNXBMFYSA-N 0 3 356.466 4.122 20 10 FICDHN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCc1ccc(N2CCC(O)CC2)cc1 ZINC001648821990 1081249086 /nfs/dbraw/zinc/24/90/86/1081249086.db2.gz LHZJKSLCRYHGFN-NRFANRHFSA-N 0 3 368.521 4.352 20 10 FICDHN C[C@@H](NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1)c1ccccc1 ZINC001167353139 1081591297 /nfs/dbraw/zinc/59/12/97/1081591297.db2.gz FVELAKREJSLDJM-QGZVFWFLSA-N 0 3 352.478 4.014 20 10 FICDHN C[C@@H](NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1)c1ccccc1 ZINC001167353139 1081591302 /nfs/dbraw/zinc/59/13/02/1081591302.db2.gz FVELAKREJSLDJM-QGZVFWFLSA-N 0 3 352.478 4.014 20 10 FICDHN COc1cc(O)c(CNC2(c3ccc(F)cc3F)CCCC2)cc1OC ZINC000160518751 1081969379 /nfs/dbraw/zinc/96/93/79/1081969379.db2.gz DJSSYKXHYUIBNQ-UHFFFAOYSA-N 0 3 363.404 4.247 20 10 FICDHN COCCCOc1cc(C)ccc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000167234432 1083686353 /nfs/dbraw/zinc/68/63/53/1083686353.db2.gz CBGOKAWUNAVHGW-SFHVURJKSA-N 0 3 356.510 4.327 20 10 FICDHN COc1ccc2c(c1)[C@@H](NCc1ccc(N3CCCC3)cc1)CCCO2 ZINC000177973534 1084517160 /nfs/dbraw/zinc/51/71/60/1084517160.db2.gz RBOVQEQSLCDPPB-NRFANRHFSA-N 0 3 352.478 4.299 20 10 FICDHN COc1cc(Br)cc(C[NH2+][C@@H](C)CCCC(F)(F)F)c1[O-] ZINC000755223462 1085571834 /nfs/dbraw/zinc/57/18/34/1085571834.db2.gz OLNAJTYTNDSIRE-VIFPVBQESA-N 0 3 370.209 4.374 20 10 FICDHN Cc1c2ccccc2n(C)c1CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000473283070 1092704454 /nfs/dbraw/zinc/70/44/54/1092704454.db2.gz OOXWAPROWPANHY-UHFFFAOYSA-N 0 3 361.489 4.013 20 10 FICDHN CC[C@@H]([NH2+]Cc1ccc(C(=O)N(CC)CC)cc1)c1ccc(C)cc1[O-] ZINC000280119733 1094292360 /nfs/dbraw/zinc/29/23/60/1094292360.db2.gz OGGKVVGLVHCGCR-HXUWFJFHSA-N 0 3 354.494 4.424 20 10 FICDHN CC[C@@H]([NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(C)cc1[O-] ZINC000280278021 1094322700 /nfs/dbraw/zinc/32/27/00/1094322700.db2.gz YIEYAIMPDWZYND-DNVCBOLYSA-N 0 3 354.450 4.459 20 10 FICDHN COc1cccc(CN[C@@H](COc2ccccc2F)c2ccccc2)c1O ZINC000237411568 1099483122 /nfs/dbraw/zinc/48/31/22/1099483122.db2.gz HSBAVIIGZDAVHJ-IBGZPJMESA-N 0 3 367.420 4.450 20 10 FICDHN Cc1c2ccccc2n(C)c1CNCc1ccccc1N1CCO[C@H](C)C1 ZINC000459499185 1100237404 /nfs/dbraw/zinc/23/74/04/1100237404.db2.gz DNDMNMRKDHOYPC-QGZVFWFLSA-N 0 3 363.505 4.002 20 10 FICDHN Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])cn1 ZINC000185084340 1101687486 /nfs/dbraw/zinc/68/74/86/1101687486.db2.gz DJZHJVIQEQJEPL-OAHLLOKOSA-N 0 3 358.445 4.285 20 10 FICDHN C[C@H](COCc1ccccc1)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC001167983453 1102887900 /nfs/dbraw/zinc/88/79/00/1102887900.db2.gz MBCJPUNRLUWSGX-UGKGYDQZSA-N 0 3 369.505 4.226 20 10 FICDHN C[C@H](COCc1ccccc1)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC001167983453 1102887908 /nfs/dbraw/zinc/88/79/08/1102887908.db2.gz MBCJPUNRLUWSGX-UGKGYDQZSA-N 0 3 369.505 4.226 20 10 FICDHN Cc1ccc2nccc(NCc3ccc(N4CCC(O)CC4)c(F)c3)c2c1 ZINC000302106859 1107304357 /nfs/dbraw/zinc/30/43/57/1107304357.db2.gz AAOMYKHZVJPXBJ-UHFFFAOYSA-N 0 3 365.452 4.256 20 10 FICDHN CCCN(CC(=O)N[C@H](C)c1ccccc1Cl)Cc1ccccc1O ZINC000303133766 1107574836 /nfs/dbraw/zinc/57/48/36/1107574836.db2.gz PTXVAWCMPDVLOD-OAHLLOKOSA-N 0 3 360.885 4.135 20 10 FICDHN COc1cc(Cl)cc(C[NH2+]Cc2cc(Br)cs2)c1[O-] ZINC000228671411 1108778938 /nfs/dbraw/zinc/77/89/38/1108778938.db2.gz RVAGQGBXJIMGBY-UHFFFAOYSA-N 0 3 362.676 4.168 20 10 FICDHN Oc1ccccc1CN(Cc1ccco1)C[C@H](O)c1ccccc1Cl ZINC000111232802 1112891865 /nfs/dbraw/zinc/89/18/65/1112891865.db2.gz OBIHUPXVQAWTRN-FQEVSTJZSA-N 0 3 357.837 4.374 20 10 FICDHN COc1ccc2ccc([O-])c(C[NH+]3CCN(c4cccc(C)c4)CC3)c2c1 ZINC000028788827 1114061011 /nfs/dbraw/zinc/06/10/11/1114061011.db2.gz LJSVNAAMRRZEJK-UHFFFAOYSA-N 0 3 362.473 4.185 20 10 FICDHN CC(C)[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F ZINC000150874159 1114151573 /nfs/dbraw/zinc/15/15/73/1114151573.db2.gz JDBJKZWZGBRJQQ-NRFANRHFSA-N 0 3 360.448 4.288 20 10 FICDHN CNC(=O)c1ccc(CN[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)cc1 ZINC000151019419 1114270031 /nfs/dbraw/zinc/27/00/31/1114270031.db2.gz GLWNRXJAMQHVGJ-INIZCTEOSA-N 0 3 369.484 4.026 20 10 FICDHN CNC(=O)c1ccc(CN[C@H](C)c2ccc(N3CCCCC3)c(F)c2)cc1 ZINC000151019465 1114270729 /nfs/dbraw/zinc/27/07/29/1114270729.db2.gz GLWNRXJAMQHVGJ-MRXNPFEDSA-N 0 3 369.484 4.026 20 10 FICDHN CC[C@@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)c1ccccc1[O-] ZINC000156861721 1114621592 /nfs/dbraw/zinc/62/15/92/1114621592.db2.gz NIZGYICJNOHTSP-OAQYLSRUSA-N 0 3 355.478 4.329 20 10 FICDHN COc1cc(Cl)cc(CN(C)Cc2ccc(OC(F)F)cc2)c1O ZINC000761183468 1115596498 /nfs/dbraw/zinc/59/64/98/1115596498.db2.gz LHDLEHZKSIDPBP-UHFFFAOYSA-N 0 3 357.784 4.288 20 10 FICDHN COc1cc(Cl)cc(C[N@H+](C)Cc2ccc(OC(F)F)cc2)c1[O-] ZINC000761183468 1115596499 /nfs/dbraw/zinc/59/64/99/1115596499.db2.gz LHDLEHZKSIDPBP-UHFFFAOYSA-N 0 3 357.784 4.288 20 10 FICDHN COc1cc(Cl)cc(C[N@@H+](C)Cc2ccc(OC(F)F)cc2)c1[O-] ZINC000761183468 1115596500 /nfs/dbraw/zinc/59/65/00/1115596500.db2.gz LHDLEHZKSIDPBP-UHFFFAOYSA-N 0 3 357.784 4.288 20 10 FICDHN Cc1cc([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc(C)c1F ZINC000151550710 1118269559 /nfs/dbraw/zinc/26/95/59/1118269559.db2.gz BDSGOTPHCHMSAK-MRXNPFEDSA-N 0 3 374.475 4.394 20 10 FICDHN COc1cc(Br)cc(CNC2(c3cccc(F)c3)CC2)c1O ZINC000152855311 1119521694 /nfs/dbraw/zinc/52/16/94/1119521694.db2.gz VWFXUOTZNDIRHJ-UHFFFAOYSA-N 0 3 366.230 4.081 20 10 FICDHN Cc1cc(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc(C)c1O ZINC000916835948 1121876563 /nfs/dbraw/zinc/87/65/63/1121876563.db2.gz DTHIHOUCBXATDN-IAGOWNOFSA-N 0 3 372.484 4.052 20 10 FICDHN CC(C)N(Cc1ccc(N(C)C)cc1)Cc1cc(F)cc2c1OCOC2 ZINC000917074952 1122069244 /nfs/dbraw/zinc/06/92/44/1122069244.db2.gz MLVXGTDJRMNLTM-UHFFFAOYSA-N 0 3 358.457 4.169 20 10 FICDHN CN(C)Cc1cccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000918031600 1122526527 /nfs/dbraw/zinc/52/65/27/1122526527.db2.gz KCJBEVWOHXYSIR-UHFFFAOYSA-N 0 3 366.509 4.011 20 10 FICDHN C[C@H](NCc1cccnc1N(C)C)c1ccc(N2CCCCCC2)cc1 ZINC000154781282 1122740914 /nfs/dbraw/zinc/74/09/14/1122740914.db2.gz NKAGPJRDMQXDTF-SFHVURJKSA-N 0 3 352.526 4.379 20 10 FICDHN COc1cc2c(cc1OC)CC[NH+](Cc1c([O-])ccc3ccccc31)CC2 ZINC000919953212 1123281452 /nfs/dbraw/zinc/28/14/52/1123281452.db2.gz OOFFXOBDCKXMBL-UHFFFAOYSA-N 0 3 363.457 4.163 20 10 FICDHN COc1cc(O)c(CN(C)Cc2cccc(C(F)(F)F)c2)cc1OC ZINC000179439326 1123976114 /nfs/dbraw/zinc/97/61/14/1123976114.db2.gz WERLOPVFRUXXPZ-UHFFFAOYSA-N 0 3 355.356 4.060 20 10 FICDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000180226321 1124268472 /nfs/dbraw/zinc/26/84/72/1124268472.db2.gz HBDCBXRMPZRFJG-JTQLQIEISA-N 0 3 360.376 4.386 20 10 FICDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000180226321 1124268476 /nfs/dbraw/zinc/26/84/76/1124268476.db2.gz HBDCBXRMPZRFJG-JTQLQIEISA-N 0 3 360.376 4.386 20 10 FICDHN O=C(Nc1cccc(C[NH2+]Cc2ccccc2[O-])c1)c1cccc(F)c1 ZINC000238107879 1124281280 /nfs/dbraw/zinc/28/12/80/1124281280.db2.gz VPWQIDMEMXUVLV-UHFFFAOYSA-N 0 3 350.393 4.073 20 10 FICDHN C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183161927 1125762929 /nfs/dbraw/zinc/76/29/29/1125762929.db2.gz KJRNIXCERZIBCR-KKSFZXQISA-N 0 3 367.445 4.166 20 10 FICDHN CC[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccccc1[O-] ZINC000155181004 1080676552 /nfs/dbraw/zinc/67/65/52/1080676552.db2.gz WCFFUOVMUWMMGZ-IFXJQAMLSA-N 0 3 353.466 4.478 20 10 FICDHN CC[C@@H]([NH2+]C1CCN(C(=O)c2ccc(C)cc2)CC1)c1ccccc1[O-] ZINC000155592247 1081553528 /nfs/dbraw/zinc/55/35/28/1081553528.db2.gz JDSLTPJQKJSJMV-HXUWFJFHSA-N 0 3 352.478 4.046 20 10 FICDHN Cc1c2ccccc2n(C)c1CN[C@H](C)c1cncc(Br)c1 ZINC000580451352 1081951412 /nfs/dbraw/zinc/95/14/12/1081951412.db2.gz DNGFXEMPIARHJO-CYBMUJFWSA-N 0 3 358.283 4.495 20 10 FICDHN CCN(C)c1ccc([C@@H](C)NCc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000160643760 1082145272 /nfs/dbraw/zinc/14/52/72/1082145272.db2.gz BPOMTPHLJNYZPH-OAHLLOKOSA-N 0 3 358.482 4.019 20 10 FICDHN CCOc1ccccc1C[N@H+](CCCn1ccnc1)Cc1ccccc1[O-] ZINC000179553634 1083563887 /nfs/dbraw/zinc/56/38/87/1083563887.db2.gz IEHAHRBZLQXOMF-UHFFFAOYSA-N 0 3 365.477 4.080 20 10 FICDHN CCOc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1ccccc1[O-] ZINC000179553634 1083563900 /nfs/dbraw/zinc/56/39/00/1083563900.db2.gz IEHAHRBZLQXOMF-UHFFFAOYSA-N 0 3 365.477 4.080 20 10 FICDHN COc1cccc([C@@H](O)C[N@H+](Cc2ccccc2)Cc2ccccc2[O-])c1 ZINC000179584478 1083571559 /nfs/dbraw/zinc/57/15/59/1083571559.db2.gz YDHMHXYKFFVNOP-QHCPKHFHSA-N 0 3 363.457 4.137 20 10 FICDHN COc1cccc([C@@H](O)C[N@@H+](Cc2ccccc2)Cc2ccccc2[O-])c1 ZINC000179584478 1083571572 /nfs/dbraw/zinc/57/15/72/1083571572.db2.gz YDHMHXYKFFVNOP-QHCPKHFHSA-N 0 3 363.457 4.137 20 10 FICDHN CCN(C[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1)CC(F)(F)F ZINC000177639561 1084185484 /nfs/dbraw/zinc/18/54/84/1084185484.db2.gz AZBQWRRLFXMCLK-OAHLLOKOSA-N 0 3 366.427 4.252 20 10 FICDHN CCN(C[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1)CC(F)(F)F ZINC000177639561 1084185492 /nfs/dbraw/zinc/18/54/92/1084185492.db2.gz AZBQWRRLFXMCLK-OAHLLOKOSA-N 0 3 366.427 4.252 20 10 FICDHN Cc1noc(C[C@@H]([NH2+]Cc2cc(Cl)cc(C)c2[O-])c2ccccc2)n1 ZINC000277598504 1084998695 /nfs/dbraw/zinc/99/86/95/1084998695.db2.gz VKOQZHSJYOKILQ-QGZVFWFLSA-N 0 3 357.841 4.119 20 10 FICDHN CCN(CC)c1ccc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1F ZINC000158708941 1085004019 /nfs/dbraw/zinc/00/40/19/1085004019.db2.gz ITYOAIOKVATVTO-MQNRADLISA-N 0 3 362.514 4.260 20 10 FICDHN CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CC12CCC2 ZINC000313234565 1085289962 /nfs/dbraw/zinc/28/99/62/1085289962.db2.gz TWPXTSYJNSPWJK-IAGOWNOFSA-N 0 3 372.509 4.291 20 10 FICDHN [O-]c1ccccc1C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000278508508 1087052610 /nfs/dbraw/zinc/05/26/10/1087052610.db2.gz PHOKDZAIRPIDJK-UHFFFAOYSA-N 0 3 351.368 4.207 20 10 FICDHN CC[C@H]([NH2+]CC1(C)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000311311000 1088544226 /nfs/dbraw/zinc/54/42/26/1088544226.db2.gz WQKNFGNNNNZNIH-KRWDZBQOSA-N 0 3 362.514 4.470 20 10 FICDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000311305403 1088548591 /nfs/dbraw/zinc/54/85/91/1088548591.db2.gz PSCUNSGBUYIDMR-IERDGZPVSA-N 0 3 362.514 4.388 20 10 FICDHN C[C@@H](NCc1ccc(C(F)F)c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000892729296 1088969176 /nfs/dbraw/zinc/96/91/76/1088969176.db2.gz KHBSYNJBXSVNEB-CQSZACIVSA-N 0 3 364.411 4.451 20 10 FICDHN CC[C@@H](NCc1cc(OC)c(OC)cc1OC)c1ccc(N(C)C)cc1 ZINC000178316711 1089218189 /nfs/dbraw/zinc/21/81/89/1089218189.db2.gz SYWVMWOGUXQCOU-GOSISDBHSA-N 0 3 358.482 4.019 20 10 FICDHN C[C@@H]([NH2+]Cc1ccc(OCCOc2ccccc2)nc1)c1ccccc1[O-] ZINC000183431153 1090413761 /nfs/dbraw/zinc/41/37/61/1090413761.db2.gz PCRAKXHDEKTNAC-QGZVFWFLSA-N 0 3 364.445 4.096 20 10 FICDHN CCOc1ccc(C2(C[NH2+][C@@H](C)c3ccc(C)cc3[O-])CCOCC2)cc1 ZINC000185127009 1090510971 /nfs/dbraw/zinc/51/09/71/1090510971.db2.gz WTSXJGOJBMKOSZ-SFHVURJKSA-N 0 3 369.505 4.498 20 10 FICDHN CSc1ccccc1[C@@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000194857560 1091423934 /nfs/dbraw/zinc/42/39/34/1091423934.db2.gz ZQTIGWCUMXFSRE-OAHLLOKOSA-N 0 3 360.498 4.235 20 10 FICDHN CCCOc1ccc(CN[C@@H](C)c2ccc(Br)cn2)c(O)c1 ZINC000279620150 1091945277 /nfs/dbraw/zinc/94/52/77/1091945277.db2.gz ARUXYAUUNVTDMW-LBPRGKRZSA-N 0 3 365.271 4.189 20 10 FICDHN CCOc1ccccc1Oc1ccc(C[NH2+]Cc2ccccc2[O-])cn1 ZINC000236977303 1093278191 /nfs/dbraw/zinc/27/81/91/1093278191.db2.gz RQBLTKGGNMDIEK-UHFFFAOYSA-N 0 3 350.418 4.268 20 10 FICDHN CC[C@H](N[C@@H](CCSC)c1nnc2ccccn21)c1ccc(C)cc1O ZINC000280287834 1094322025 /nfs/dbraw/zinc/32/20/25/1094322025.db2.gz YZFAXBMVPNCHCW-IRXDYDNUSA-N 0 3 370.522 4.278 20 10 FICDHN C[C@@H]([NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1)c1ccccc1[O-] ZINC000272858281 1096217932 /nfs/dbraw/zinc/21/79/32/1096217932.db2.gz MKBSHOBBRGSISZ-QGZVFWFLSA-N 0 3 359.473 4.201 20 10 FICDHN COc1ccc(O)c(CN[C@H](C)c2ccc(Br)cc2F)c1 ZINC000127928100 1102987870 /nfs/dbraw/zinc/98/78/70/1102987870.db2.gz GJSJSZNFQHXMMP-SNVBAGLBSA-N 0 3 354.219 4.153 20 10 FICDHN Cc1cc(Br)cc([C@H](C)[NH2+]Cc2ccc3cn(C)nc3c2)c1[O-] ZINC000527961452 1109876070 /nfs/dbraw/zinc/87/60/70/1109876070.db2.gz HLCMGKPEUJOJSR-LBPRGKRZSA-N 0 3 374.282 4.201 20 10 FICDHN COc1cc(NC(C)=O)ccc1[C@@H](C)NCc1c(C)c2ccccc2n1C ZINC000479440805 1112024107 /nfs/dbraw/zinc/02/41/07/1112024107.db2.gz UVCZBJCMPNVWLW-OAHLLOKOSA-N 0 3 365.477 4.305 20 10 FICDHN Cc1nc2c(s1)[C@@H](NCc1ccc(N3CCSCC3)cc1)CCC2 ZINC000163620109 1114174482 /nfs/dbraw/zinc/17/44/82/1114174482.db2.gz KZDMIBBGHRFTAK-KRWDZBQOSA-N 0 3 359.564 4.172 20 10 FICDHN Cc1cc(O)c(CN2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1C ZINC000057104683 1114875817 /nfs/dbraw/zinc/87/58/17/1114875817.db2.gz HOZGETOIZQQLIY-UHFFFAOYSA-N 0 3 372.896 4.011 20 10 FICDHN CN1CCCc2cc(CNCc3ccccc3OCc3cccnc3)ccc21 ZINC000058477019 1115233914 /nfs/dbraw/zinc/23/39/14/1115233914.db2.gz ZDCHYTSJXUKVLJ-UHFFFAOYSA-N 0 3 373.500 4.333 20 10 FICDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H]4[C@H](CCCN4C4CC4)C3)c2c1 ZINC000157960182 1115412898 /nfs/dbraw/zinc/41/28/98/1115412898.db2.gz DGLPFROKKJJKPK-VGOFRKELSA-N 0 3 366.505 4.003 20 10 FICDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H]4[C@H](CCCN4C4CC4)C3)c2c1 ZINC000157960182 1115412899 /nfs/dbraw/zinc/41/28/99/1115412899.db2.gz DGLPFROKKJJKPK-VGOFRKELSA-N 0 3 366.505 4.003 20 10 FICDHN Fc1cc(CNCc2ccc3c(c2)CCCO3)ccc1Br ZINC001649101663 1121793358 /nfs/dbraw/zinc/79/33/58/1121793358.db2.gz MFHMHBLBZWICQY-UHFFFAOYSA-N 0 3 350.231 4.203 20 10 FICDHN CCc1ccc(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cc1 ZINC000916835873 1121877118 /nfs/dbraw/zinc/87/71/18/1121877118.db2.gz BHAIHKLGKHPJRT-CALCHBBNSA-N 0 3 356.485 4.292 20 10 FICDHN c1ccc2c(c1)-c1ccccc1C2NCc1ccc(N2CCOCC2)cc1 ZINC000920957051 1123542207 /nfs/dbraw/zinc/54/22/07/1123542207.db2.gz ASJBAAQROILRJQ-UHFFFAOYSA-N 0 3 356.469 4.383 20 10 FICDHN CCN(CC)c1ccc(CN(C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000180286451 1124283825 /nfs/dbraw/zinc/28/38/25/1124283825.db2.gz AGQSTLUVZPJYDG-NSYGIPOTSA-N 0 3 358.551 4.463 20 10 FICDHN O=C(Nc1cccc(C[NH2+]Cc2cc(F)ccc2[O-])c1)c1ccc(F)cc1 ZINC000180493507 1124347726 /nfs/dbraw/zinc/34/77/26/1124347726.db2.gz YKSAQTXPMUSFLR-UHFFFAOYSA-N 0 3 368.383 4.213 20 10 FICDHN Fc1ccc2c(c1)OCCC[C@@H]2NCc1ccc(N2CCSCC2)cc1 ZINC000181963279 1125199607 /nfs/dbraw/zinc/19/96/07/1125199607.db2.gz YYXTXAHTCFOUSM-FQEVSTJZSA-N 0 3 372.509 4.382 20 10 FICDHN Fc1ccc2c(c1)OCCC[C@H]2NCc1ccc(N2CCSCC2)cc1 ZINC000181963262 1125199737 /nfs/dbraw/zinc/19/97/37/1125199737.db2.gz YYXTXAHTCFOUSM-HXUWFJFHSA-N 0 3 372.509 4.382 20 10 FICDHN C[C@H](NCc1ccc2c(c1)CCCO2)c1ccc(N2CCCOC2=O)cc1 ZINC000922144850 1125542263 /nfs/dbraw/zinc/54/22/63/1125542263.db2.gz IHQJSSIZUWRPSM-INIZCTEOSA-N 0 3 366.461 4.209 20 10 FICDHN CC(=O)Nc1ccccc1CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000155224371 1080723614 /nfs/dbraw/zinc/72/36/14/1080723614.db2.gz XVPGXQANQHAZKP-UHFFFAOYSA-N 0 3 351.494 4.267 20 10 FICDHN Cc1ccc(-c2ccnc(NCc3ccc(N4CCN(C)CC4)cc3)c2)cc1 ZINC001167427028 1082056098 /nfs/dbraw/zinc/05/60/98/1082056098.db2.gz UQFVTQCKHGAHGQ-UHFFFAOYSA-N 0 3 372.516 4.421 20 10 FICDHN C[C@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccsc1 ZINC000178189535 1082956365 /nfs/dbraw/zinc/95/63/65/1082956365.db2.gz GXFHPXQCWQZNSC-ZDUSSCGKSA-N 0 3 370.440 4.454 20 10 FICDHN COc1cccc([C@H](O)C[N@H+](Cc2ccccc2)Cc2ccccc2[O-])c1 ZINC000179584469 1083570421 /nfs/dbraw/zinc/57/04/21/1083570421.db2.gz YDHMHXYKFFVNOP-HSZRJFAPSA-N 0 3 363.457 4.137 20 10 FICDHN COc1cccc([C@H](O)C[N@@H+](Cc2ccccc2)Cc2ccccc2[O-])c1 ZINC000179584469 1083570430 /nfs/dbraw/zinc/57/04/30/1083570430.db2.gz YDHMHXYKFFVNOP-HSZRJFAPSA-N 0 3 363.457 4.137 20 10 FICDHN C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(F)cc(F)c1 ZINC000151579683 1083725351 /nfs/dbraw/zinc/72/53/51/1083725351.db2.gz KSGCGOGFTWABTF-HNNXBMFYSA-N 0 3 360.448 4.024 20 10 FICDHN C[C@H](N[C@@H]1CCc2cc(F)ccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000178089854 1084668920 /nfs/dbraw/zinc/66/89/20/1084668920.db2.gz UFDVYDCRTSVANT-VBKZILBWSA-N 0 3 358.432 4.140 20 10 FICDHN Cc1noc(C[C@H]([NH2+]Cc2cc(Cl)cc(C)c2[O-])c2ccccc2)n1 ZINC000277598497 1084998811 /nfs/dbraw/zinc/99/88/11/1084998811.db2.gz VKOQZHSJYOKILQ-KRWDZBQOSA-N 0 3 357.841 4.119 20 10 FICDHN CCCOc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000161668724 1086598168 /nfs/dbraw/zinc/59/81/68/1086598168.db2.gz OHDCMXIAVHEHPZ-QGZVFWFLSA-N 0 3 372.484 4.302 20 10 FICDHN CCc1nc(CN2CCC(C[NH2+][C@H](C)c3ccc(C)cc3[O-])CC2)cs1 ZINC000185423362 1090541791 /nfs/dbraw/zinc/54/17/91/1090541791.db2.gz TWYBJRSAFNBJGW-MRXNPFEDSA-N 0 3 373.566 4.282 20 10 FICDHN CC[C@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(C)cc1[O-] ZINC000279969962 1093893198 /nfs/dbraw/zinc/89/31/98/1093893198.db2.gz CVTRGCDGKRDCND-FPOVZHCZSA-N 0 3 368.477 4.059 20 10 FICDHN CC[C@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(C)cc1[O-] ZINC000279973854 1093980807 /nfs/dbraw/zinc/98/08/07/1093980807.db2.gz DDXZVZUGWROOLS-KXBFYZLASA-N 0 3 354.450 4.459 20 10 FICDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccs1 ZINC000163400346 1102250986 /nfs/dbraw/zinc/25/09/86/1102250986.db2.gz DKZFTCAKLLSKOB-CYBMUJFWSA-N 0 3 370.440 4.454 20 10 FICDHN CC1(C)C[N@H+](Cc2c([O-])ccc3ccncc32)CCN1Cc1ccccc1 ZINC000729469941 1102823452 /nfs/dbraw/zinc/82/34/52/1102823452.db2.gz ICIMVKMPOCJIFT-UHFFFAOYSA-N 0 3 361.489 4.037 20 10 FICDHN CC1(C)C[N@@H+](Cc2c([O-])ccc3ccncc32)CCN1Cc1ccccc1 ZINC000729469941 1102823458 /nfs/dbraw/zinc/82/34/58/1102823458.db2.gz ICIMVKMPOCJIFT-UHFFFAOYSA-N 0 3 361.489 4.037 20 10 FICDHN COc1ccc(N2CCC(N[C@H](c3nc(C)cs3)C3CC3)CC2)cc1 ZINC000120212225 1110212774 /nfs/dbraw/zinc/21/27/74/1110212774.db2.gz MBKUBRYOUSRMFC-IBGZPJMESA-N 0 3 357.523 4.170 20 10 FICDHN COc1ccc([C@@H](C)NCc2ccc(N3CCSCC3)cc2)cc1F ZINC000163594263 1113867718 /nfs/dbraw/zinc/86/77/18/1113867718.db2.gz YYAQAURFOVWOFJ-OAHLLOKOSA-N 0 3 360.498 4.238 20 10 FICDHN Cc1nc(C(C)(C)C)sc1[C@@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000151071018 1114289139 /nfs/dbraw/zinc/28/91/39/1114289139.db2.gz RDZONXRIMNHTOG-OAHLLOKOSA-N 0 3 373.566 4.436 20 10 FICDHN Cc1nn(Cc2ccccc2)c(C)c1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000163964685 1114413934 /nfs/dbraw/zinc/41/39/34/1114413934.db2.gz SQNOCBGYLHRVFO-KRWDZBQOSA-N 0 3 362.521 4.465 20 10 FICDHN CC[C@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)c1ccccc1[O-] ZINC000156861587 1114621519 /nfs/dbraw/zinc/62/15/19/1114621519.db2.gz NIZGYICJNOHTSP-NRFANRHFSA-N 0 3 355.478 4.329 20 10 FICDHN Cc1ccc([C@H](C)NCc2cn3cc(Br)cc(C)c3n2)c(O)c1 ZINC000760879593 1115126219 /nfs/dbraw/zinc/12/62/19/1115126219.db2.gz GGQKKAMQWGGIJC-ZDUSSCGKSA-N 0 3 374.282 4.270 20 10 FICDHN CCN(C)c1ccc([C@@H](C)NCc2ccc(C)cc2OCCOC)cc1 ZINC000167626995 1115311976 /nfs/dbraw/zinc/31/19/76/1115311976.db2.gz SMPCHZYYMXZACP-GOSISDBHSA-N 0 3 356.510 4.327 20 10 FICDHN COc1cc(Cl)cc(CN[C@H]2CCCOc3ccc(F)cc32)c1O ZINC000761197989 1115617940 /nfs/dbraw/zinc/61/79/40/1115617940.db2.gz JWRBYXDALGDKRQ-HNNXBMFYSA-N 0 3 351.805 4.197 20 10 FICDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)c1[O-] ZINC000761197989 1115617941 /nfs/dbraw/zinc/61/79/41/1115617941.db2.gz JWRBYXDALGDKRQ-HNNXBMFYSA-N 0 3 351.805 4.197 20 10 FICDHN COc1cc(Cl)cc(C[NH2+][C@H](C)[C@H](OC)c2ccc(F)cc2)c1[O-] ZINC000761216695 1115648550 /nfs/dbraw/zinc/64/85/50/1115648550.db2.gz WDQBGBOJAGKWFV-ZMZPIMSZSA-N 0 3 353.821 4.059 20 10 FICDHN CC[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(OC)c1 ZINC000151519223 1116328653 /nfs/dbraw/zinc/32/86/53/1116328653.db2.gz IIIZPUUFVPWIMO-NRFANRHFSA-N 0 3 372.484 4.036 20 10 FICDHN CC(C)(C)OC(=O)NCc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000313254412 1119180463 /nfs/dbraw/zinc/18/04/63/1119180463.db2.gz XXLHENUELNDKBD-GOSISDBHSA-N 0 3 368.477 4.194 20 10 FICDHN COc1cc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1F ZINC000153228275 1120370494 /nfs/dbraw/zinc/37/04/94/1120370494.db2.gz HODSWBDXYABCOT-HZPDHXFCSA-N 0 3 358.457 4.083 20 10 FICDHN COc1ccc(N2CCC(NCc3c(Cl)cccc3N(C)C)CC2)cc1 ZINC001649028514 1121296382 /nfs/dbraw/zinc/29/63/82/1121296382.db2.gz FQEMYQBEKDDREY-UHFFFAOYSA-N 0 3 373.928 4.173 20 10 FICDHN CCCc1ccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000920181848 1123398818 /nfs/dbraw/zinc/39/88/18/1123398818.db2.gz CVBJYIVHETZQGR-UHFFFAOYSA-N 0 3 356.485 4.029 20 10 FICDHN COc1ccc([C@H](CCO)[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cc1 ZINC000763495308 1124937579 /nfs/dbraw/zinc/93/75/79/1124937579.db2.gz BWMXMZAYXROLBI-QFIPXVFZSA-N 0 3 363.457 4.281 20 10 FICDHN