smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(CC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c(C)s1 ZINC000118986910 700617486 /nfs/dbraw/zinc/61/74/86/700617486.db2.gz JMSFIMGFPQZRSI-UHFFFAOYSA-N 1 2 358.511 3.394 50 0 FGAALO Clc1ccc2c(ccn2CCNc2cc(N3CCOCC3)nc[nH+]2)c1 ZINC000804774285 724549536 /nfs/dbraw/zinc/54/95/36/724549536.db2.gz HIEPBYCFHLSLCE-UHFFFAOYSA-N 1 2 357.845 3.033 50 0 FGAALO Clc1ccc2c(ccn2CCNc2cc(N3CCOCC3)[nH+]cn2)c1 ZINC000804774285 724549538 /nfs/dbraw/zinc/54/95/38/724549538.db2.gz HIEPBYCFHLSLCE-UHFFFAOYSA-N 1 2 357.845 3.033 50 0 FGAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)NC1CCCCC1 ZINC000001346261 204000472 /nfs/dbraw/zinc/00/04/72/204000472.db2.gz VIHWPCHYPYQPFP-UHFFFAOYSA-N 1 2 367.478 3.357 50 0 FGAALO CCn1c2ccccc2[nH+]c1N1CCN(C(=O)c2ccccc2F)CC1 ZINC000001370930 204002531 /nfs/dbraw/zinc/00/25/31/204002531.db2.gz RNDVGHBALFENFX-UHFFFAOYSA-N 1 2 352.413 3.158 50 0 FGAALO CCOc1ccc([NH2+]CCC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000001441083 204006467 /nfs/dbraw/zinc/00/64/67/204006467.db2.gz JVFFBNSGBXZISJ-UHFFFAOYSA-N 1 2 362.451 3.142 50 0 FGAALO C[N@H+](CCOc1ccccc1)CC(=O)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000006879280 204280164 /nfs/dbraw/zinc/28/01/64/204280164.db2.gz GETZQKQJMULECM-UHFFFAOYSA-N 1 2 368.477 3.251 50 0 FGAALO C[N@@H+](CCOc1ccccc1)CC(=O)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000006879280 204280167 /nfs/dbraw/zinc/28/01/67/204280167.db2.gz GETZQKQJMULECM-UHFFFAOYSA-N 1 2 368.477 3.251 50 0 FGAALO Cc1cc(N)nc(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)[nH+]1 ZINC000007049187 204286685 /nfs/dbraw/zinc/28/66/85/204286685.db2.gz SIVUGVACDOKBPP-GFCCVEGCSA-N 1 2 360.508 3.377 50 0 FGAALO Cc1cc(N)nc(SCC(=O)N2CC[C@H](C)Sc3ccccc32)[nH+]1 ZINC000007049184 204287349 /nfs/dbraw/zinc/28/73/49/204287349.db2.gz SIVUGVACDOKBPP-LBPRGKRZSA-N 1 2 360.508 3.377 50 0 FGAALO Cc1cc(N)nc(SCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)[nH+]1 ZINC000007372391 204295245 /nfs/dbraw/zinc/29/52/45/204295245.db2.gz CPYBEYLBQRXPOY-CYBMUJFWSA-N 1 2 356.495 3.216 50 0 FGAALO CCNC(=O)c1ccc(CSc2nc(N3CCCC3)cc(C)[nH+]2)cc1 ZINC000006870960 204278140 /nfs/dbraw/zinc/27/81/40/204278140.db2.gz FAVRTIVRGZSTPJ-UHFFFAOYSA-N 1 2 356.495 3.427 50 0 FGAALO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1ccccc1F ZINC000008319553 204326009 /nfs/dbraw/zinc/32/60/09/204326009.db2.gz AVWRFDIBXVANDM-QGZVFWFLSA-N 1 2 356.397 3.373 50 0 FGAALO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1ccccc1F ZINC000008319553 204326014 /nfs/dbraw/zinc/32/60/14/204326014.db2.gz AVWRFDIBXVANDM-QGZVFWFLSA-N 1 2 356.397 3.373 50 0 FGAALO Cn1cc[nH+]c1[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccccc1F ZINC000009156675 204357437 /nfs/dbraw/zinc/35/74/37/204357437.db2.gz SUGWYTVOEKIIOE-GOSISDBHSA-N 1 2 373.815 3.497 50 0 FGAALO CCOc1ccccc1-n1nnnc1SCc1cn2cc(C)ccc2[nH+]1 ZINC000009366431 204366439 /nfs/dbraw/zinc/36/64/39/204366439.db2.gz TXKMSHSOWKQWJU-UHFFFAOYSA-N 1 2 366.450 3.309 50 0 FGAALO CCc1noc([C@H](C)[N@H+](C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)n1 ZINC000040071670 205053040 /nfs/dbraw/zinc/05/30/40/205053040.db2.gz YEGHHYWANNJKRR-NSHDSACASA-N 1 2 370.375 3.117 50 0 FGAALO CCc1noc([C@H](C)[N@@H+](C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)n1 ZINC000040071670 205053044 /nfs/dbraw/zinc/05/30/44/205053044.db2.gz YEGHHYWANNJKRR-NSHDSACASA-N 1 2 370.375 3.117 50 0 FGAALO CCCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000042687160 205097250 /nfs/dbraw/zinc/09/72/50/205097250.db2.gz NRRZMFVLMBEUHZ-GFCCVEGCSA-N 1 2 369.868 3.044 50 0 FGAALO Cn1ncc2c1nc[nH+]c2NCc1ccc(Br)cc1Cl ZINC000049320598 205172331 /nfs/dbraw/zinc/17/23/31/205172331.db2.gz LUPINVNTAHVXGG-UHFFFAOYSA-N 1 2 352.623 3.391 50 0 FGAALO COc1c(C)c[nH+]c(CNC(=O)c2c[nH]c(=S)n2-c2ccccc2)c1C ZINC000050770926 205180119 /nfs/dbraw/zinc/18/01/19/205180119.db2.gz GLUCKTFYKJZMID-UHFFFAOYSA-N 1 2 368.462 3.485 50 0 FGAALO Cc1nn(C)c2sc(C(=O)N3CC[NH+](Cc4ccccc4C)CC3)cc12 ZINC000054458301 205201075 /nfs/dbraw/zinc/20/10/75/205201075.db2.gz RRIFSBZWOJRIHZ-UHFFFAOYSA-N 1 2 368.506 3.210 50 0 FGAALO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cccn(Cc2ccccc2)c1=O ZINC000058163087 205253038 /nfs/dbraw/zinc/25/30/38/205253038.db2.gz BGVDOFOXPMCYCT-UHFFFAOYSA-N 1 2 370.412 3.335 50 0 FGAALO COc1ccc(C[N@H+](Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000058354982 205271806 /nfs/dbraw/zinc/27/18/06/205271806.db2.gz WSVCZPUJBNJRCY-SFHVURJKSA-N 1 2 363.454 3.024 50 0 FGAALO COc1ccc(C[N@@H+](Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000058354982 205271807 /nfs/dbraw/zinc/27/18/07/205271807.db2.gz WSVCZPUJBNJRCY-SFHVURJKSA-N 1 2 363.454 3.024 50 0 FGAALO FC(F)Oc1cccc(C[NH+]2CCN(CCOc3ccccc3)CC2)c1 ZINC000065234313 205326639 /nfs/dbraw/zinc/32/66/39/205326639.db2.gz LAFSGLJNUUHODR-UHFFFAOYSA-N 1 2 362.420 3.485 50 0 FGAALO CCCNc1cc(N2CCC[C@@H](CCC(=O)NCc3ccco3)C2)nc[nH+]1 ZINC000065244823 205329111 /nfs/dbraw/zinc/32/91/11/205329111.db2.gz YNAGCJSIMBWLCV-INIZCTEOSA-N 1 2 371.485 3.205 50 0 FGAALO CCCNc1cc(N2CCC[C@@H](CCC(=O)NCc3ccco3)C2)[nH+]cn1 ZINC000065244823 205329119 /nfs/dbraw/zinc/32/91/19/205329119.db2.gz YNAGCJSIMBWLCV-INIZCTEOSA-N 1 2 371.485 3.205 50 0 FGAALO CCN(CC)c1cc(CCC(=O)NCc2cc(OC)ccc2OC)cc[nH+]1 ZINC000065269955 205332787 /nfs/dbraw/zinc/33/27/87/205332787.db2.gz QJSZOXCKIDGVGZ-UHFFFAOYSA-N 1 2 371.481 3.194 50 0 FGAALO CCc1[nH+]c2cc3c(cc2n1CC(=O)Nc1ccc(OC)cc1)OCCO3 ZINC000064795142 205305016 /nfs/dbraw/zinc/30/50/16/205305016.db2.gz HXPSBTGGXWZFKB-UHFFFAOYSA-N 1 2 367.405 3.017 50 0 FGAALO COC(=O)[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000065451701 205351301 /nfs/dbraw/zinc/35/13/01/205351301.db2.gz IQINVQQHLLYYOJ-WMLDXEAASA-N 1 2 363.841 3.407 50 0 FGAALO COC(=O)[C@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000065451701 205351303 /nfs/dbraw/zinc/35/13/03/205351303.db2.gz IQINVQQHLLYYOJ-WMLDXEAASA-N 1 2 363.841 3.407 50 0 FGAALO COc1ccccc1C(=O)Nc1ccc2c(c1)NC(=O)C[C@@H]2c1[nH]cc[nH+]1 ZINC000065454364 205352654 /nfs/dbraw/zinc/35/26/54/205352654.db2.gz RJTSPDMXTVYSSI-HNNXBMFYSA-N 1 2 362.389 3.145 50 0 FGAALO CC(C)Cc1nc([C@H](c2cccnc2)[NH+]2CCCC2)n(-c2ccccn2)n1 ZINC000065455083 205352771 /nfs/dbraw/zinc/35/27/71/205352771.db2.gz JVKVEEGSNPNQBT-FQEVSTJZSA-N 1 2 362.481 3.441 50 0 FGAALO CC(C)(C)n1cc(C2=CC[N@H+](Cc3nnc(-c4cccnc4)o3)CC2)cn1 ZINC000065464207 205353436 /nfs/dbraw/zinc/35/34/36/205353436.db2.gz KNJBIMBXUIYXLN-UHFFFAOYSA-N 1 2 364.453 3.372 50 0 FGAALO CC(C)(C)n1cc(C2=CC[N@@H+](Cc3nnc(-c4cccnc4)o3)CC2)cn1 ZINC000065464207 205353440 /nfs/dbraw/zinc/35/34/40/205353440.db2.gz KNJBIMBXUIYXLN-UHFFFAOYSA-N 1 2 364.453 3.372 50 0 FGAALO CCSc1nnc(NC(=O)C[NH2+][C@H]2CCCc3sc(C)nc32)s1 ZINC000065463699 205353527 /nfs/dbraw/zinc/35/35/27/205353527.db2.gz CYQLDJAKBRDLNB-VIFPVBQESA-N 1 2 369.541 3.021 50 0 FGAALO O=C1CCCN1CCCn1c[nH+]c(-c2ccccc2)c1C1CCOCC1 ZINC000065535399 205358692 /nfs/dbraw/zinc/35/86/92/205358692.db2.gz ARJWDNCNZSUMOA-UHFFFAOYSA-N 1 2 353.466 3.457 50 0 FGAALO CCOc1ccc2c(c1)C[N@@H+](CC(=O)N[C@H]1CCOc3ccccc31)CC2 ZINC000065590790 205359684 /nfs/dbraw/zinc/35/96/84/205359684.db2.gz SOBGVAAEQXXLHV-FQEVSTJZSA-N 1 2 366.461 3.083 50 0 FGAALO CCOc1ccc2c(c1)C[N@H+](CC(=O)N[C@H]1CCOc3ccccc31)CC2 ZINC000065590790 205359689 /nfs/dbraw/zinc/35/96/89/205359689.db2.gz SOBGVAAEQXXLHV-FQEVSTJZSA-N 1 2 366.461 3.083 50 0 FGAALO Cc1cc(NC(=O)C[NH2+]Cc2csc(-c3cnccn3)n2)ccc1Cl ZINC000065375130 205342300 /nfs/dbraw/zinc/34/23/00/205342300.db2.gz MXFVUTMCYWSSAW-UHFFFAOYSA-N 1 2 373.869 3.290 50 0 FGAALO COc1ccccc1OC1C[NH+](C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000067757237 205389588 /nfs/dbraw/zinc/38/95/88/205389588.db2.gz DTDHJTUJSPHUQZ-UHFFFAOYSA-N 1 2 366.461 3.063 50 0 FGAALO C[C@H](c1ccon1)N(C)C(=O)c1cc(C[N@@H+]2CCc3ccccc3C2)on1 ZINC000067804904 205392345 /nfs/dbraw/zinc/39/23/45/205392345.db2.gz NASIGHZFPZKSOG-CQSZACIVSA-N 1 2 366.421 3.054 50 0 FGAALO C[C@H](c1ccon1)N(C)C(=O)c1cc(C[N@H+]2CCc3ccccc3C2)on1 ZINC000067804904 205392349 /nfs/dbraw/zinc/39/23/49/205392349.db2.gz NASIGHZFPZKSOG-CQSZACIVSA-N 1 2 366.421 3.054 50 0 FGAALO Cn1cc[nH+]c1CN1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000106032553 206014072 /nfs/dbraw/zinc/01/40/72/206014072.db2.gz PNDOAJNYDKEWEC-UHFFFAOYSA-N 1 2 360.461 3.045 50 0 FGAALO O=C(C[N@@H+]1CCc2[nH]c3ccccc3c(=O)c2C1)Nc1ccc(Cl)cc1 ZINC000049003096 206084532 /nfs/dbraw/zinc/08/45/32/206084532.db2.gz WLVUMHYBLYFSKA-UHFFFAOYSA-N 1 2 367.836 3.178 50 0 FGAALO O=C(C[N@H+]1CCc2[nH]c3ccccc3c(=O)c2C1)Nc1ccc(Cl)cc1 ZINC000049003096 206084538 /nfs/dbraw/zinc/08/45/38/206084538.db2.gz WLVUMHYBLYFSKA-UHFFFAOYSA-N 1 2 367.836 3.178 50 0 FGAALO O=S(=O)(NCc1cn2ccccc2[nH+]1)c1cc(Cl)ccc1Cl ZINC000004248412 206171596 /nfs/dbraw/zinc/17/15/96/206171596.db2.gz RKIVGRSWEKJPKI-UHFFFAOYSA-N 1 2 356.234 3.120 50 0 FGAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)N2CCCC2)c(C)c1 ZINC000004341729 206177320 /nfs/dbraw/zinc/17/73/20/206177320.db2.gz CVLQSDULJBGZFK-UHFFFAOYSA-N 1 2 367.478 3.147 50 0 FGAALO COc1ccc(CC(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)cc1 ZINC000008216498 206213055 /nfs/dbraw/zinc/21/30/55/206213055.db2.gz RZXWYFAPRXMTGR-IBGZPJMESA-N 1 2 353.397 3.016 50 0 FGAALO C[N@H+](Cc1cccc(Br)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000010216684 206268272 /nfs/dbraw/zinc/26/82/72/206268272.db2.gz LFXBUUGMWXFWDN-UHFFFAOYSA-N 1 2 358.239 3.318 50 0 FGAALO C[N@@H+](Cc1cccc(Br)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000010216684 206268274 /nfs/dbraw/zinc/26/82/74/206268274.db2.gz LFXBUUGMWXFWDN-UHFFFAOYSA-N 1 2 358.239 3.318 50 0 FGAALO c1coc(-c2ncc(C[N@@H+](Cc3ccncc3)C[C@@H]3CCCO3)cn2)c1 ZINC000216127050 206355957 /nfs/dbraw/zinc/35/59/57/206355957.db2.gz LATUPGCVXXCREL-SFHVURJKSA-N 1 2 350.422 3.313 50 0 FGAALO c1coc(-c2ncc(C[N@H+](Cc3ccncc3)C[C@@H]3CCCO3)cn2)c1 ZINC000216127050 206355959 /nfs/dbraw/zinc/35/59/59/206355959.db2.gz LATUPGCVXXCREL-SFHVURJKSA-N 1 2 350.422 3.313 50 0 FGAALO O=C(CCCC(=O)N1CCC[N@H+](Cc2ccccn2)CC1)c1ccccc1 ZINC000219894351 206393870 /nfs/dbraw/zinc/39/38/70/206393870.db2.gz CYWSULKVVVOVEZ-UHFFFAOYSA-N 1 2 365.477 3.169 50 0 FGAALO O=C(CCCC(=O)N1CCC[N@@H+](Cc2ccccn2)CC1)c1ccccc1 ZINC000219894351 206393874 /nfs/dbraw/zinc/39/38/74/206393874.db2.gz CYWSULKVVVOVEZ-UHFFFAOYSA-N 1 2 365.477 3.169 50 0 FGAALO Cc1ccc(N2C[C@@H](Cc3ccccc3)N(Cc3[nH+]ccn3C)CC2=O)cc1 ZINC000082156956 132197698 /nfs/dbraw/zinc/19/76/98/132197698.db2.gz NCIGMYBMAUPBQI-OAQYLSRUSA-N 1 2 374.488 3.189 50 0 FGAALO Cc1nc(N2CCC[C@]3(CCC(=O)N(CCc4ccccc4)C3)C2)cc[nH+]1 ZINC000091987068 132205433 /nfs/dbraw/zinc/20/54/33/132205433.db2.gz CBSZYOHJICJRLI-QFIPXVFZSA-N 1 2 364.493 3.237 50 0 FGAALO O=C(NC[C@@H]1CCCN(c2cccc[nH+]2)C1)c1c[nH]nc1-c1ccccc1 ZINC000095356300 132207192 /nfs/dbraw/zinc/20/71/92/132207192.db2.gz YCUSOWFLKBVLNX-INIZCTEOSA-N 1 2 361.449 3.118 50 0 FGAALO O=C(NC[C@H]1CCCN(c2cccc[nH+]2)C1)c1c[nH]nc1-c1ccccc1 ZINC000095356301 132207323 /nfs/dbraw/zinc/20/73/23/132207323.db2.gz YCUSOWFLKBVLNX-MRXNPFEDSA-N 1 2 361.449 3.118 50 0 FGAALO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)Nc1cccc(F)c1 ZINC000096121411 132219405 /nfs/dbraw/zinc/21/94/05/132219405.db2.gz VXDQLBRMZAOOJI-UHFFFAOYSA-N 1 2 358.421 3.316 50 0 FGAALO COc1ccccc1CCC(=O)NC[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000223366037 132279223 /nfs/dbraw/zinc/27/92/23/132279223.db2.gz DDYCZUWIUAJLRC-QGZVFWFLSA-N 1 2 353.466 3.056 50 0 FGAALO Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)C(C)(C)C)cc2)[nH+]1 ZINC000017012959 132883879 /nfs/dbraw/zinc/88/38/79/132883879.db2.gz PPBMZAZJFNFGDP-UHFFFAOYSA-N 1 2 369.469 3.350 50 0 FGAALO Cc1ccc(/C=C/C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)s1 ZINC000040106832 136119314 /nfs/dbraw/zinc/11/93/14/136119314.db2.gz BIZPFSYCGOAPJN-LADOHOGBSA-N 1 2 371.506 3.395 50 0 FGAALO Cc1cccc(N2CC[NH+]([C@H](C)C(=O)N3CCc4ccccc43)CC2)c1C ZINC000058171195 136130609 /nfs/dbraw/zinc/13/06/09/136130609.db2.gz OVZGFIACBIOKQC-LJQANCHMSA-N 1 2 363.505 3.403 50 0 FGAALO Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000060387346 136132345 /nfs/dbraw/zinc/13/23/45/136132345.db2.gz CFMCANINOFRFRS-OAHLLOKOSA-N 1 2 359.857 3.160 50 0 FGAALO Cc1ccnc(N2CC[NH+](Cc3ccc4cccc(Cl)c4n3)CC2)n1 ZINC000065425201 136136341 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CCOc1ccc(CN2CCc3[nH+]c[nH]c3[C@H]2c2cccc(F)c2)cn1 ZINC000067872067 205399369 /nfs/dbraw/zinc/39/93/69/205399369.db2.gz WKFRFUVWJYLREZ-HXUWFJFHSA-N 1 2 352.413 3.490 50 0 FGAALO COc1ccc([C@H]([NH2+]CN2CCC(=O)CC2)c2ccccc2OC)cc1 ZINC000096009244 205803249 /nfs/dbraw/zinc/80/32/49/205803249.db2.gz QBHGSIDOOALWGG-NRFANRHFSA-N 1 2 354.450 3.005 50 0 FGAALO O=S(=O)(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(F)c(Cl)c1 ZINC000047031908 206080257 /nfs/dbraw/zinc/08/02/57/206080257.db2.gz PPPFHIDMPGTEDX-HNNXBMFYSA-N 1 2 372.849 3.188 50 0 FGAALO CN(CC(=O)Nc1ccccc1Br)c1cc[nH+]c(C2CC2)n1 ZINC000170624590 206277490 /nfs/dbraw/zinc/27/74/90/206277490.db2.gz HCGIDPRKOFMIJB-UHFFFAOYSA-N 1 2 361.243 3.191 50 0 FGAALO CCc1ccccc1NC(=O)Nc1c[nH+]c(N2CCCC2)nc1N(C)C ZINC000206733297 206280948 /nfs/dbraw/zinc/28/09/48/206280948.db2.gz OKJLOJUVEXDKLB-UHFFFAOYSA-N 1 2 354.458 3.349 50 0 FGAALO O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCc2ccc(Br)cc21 ZINC000112330833 206288785 /nfs/dbraw/zinc/28/87/85/206288785.db2.gz 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Cc1ccccc1N1C(=O)CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000299755469 132297869 /nfs/dbraw/zinc/29/78/69/132297869.db2.gz DDOJDAWLWCIALM-QGZVFWFLSA-N 1 2 374.444 3.058 50 0 FGAALO Cc1csc2nc(C[NH+]3CCN(c4cccc(C)c4C)CC3)cc(=O)n12 ZINC000016484486 132881884 /nfs/dbraw/zinc/88/18/84/132881884.db2.gz VZJGMFYFYVWYCX-UHFFFAOYSA-N 1 2 368.506 3.003 50 0 FGAALO Fc1ccc(N2CC[NH+](Cc3nnc(-c4ccccc4F)o3)CC2)cc1 ZINC000058024155 136130424 /nfs/dbraw/zinc/13/04/24/136130424.db2.gz WFCVLNHORPNWQG-UHFFFAOYSA-N 1 2 356.376 3.337 50 0 FGAALO CCc1c[nH+]c(C)nc1N1CCC[C@@H](Nc2ccc(OC)c(OC)c2)C1 ZINC000072128276 136142215 /nfs/dbraw/zinc/14/22/15/136142215.db2.gz YVERMVKSBSNGMA-QGZVFWFLSA-N 1 2 356.470 3.446 50 0 FGAALO O=C(c1ccc(-c2cccs2)nc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000075502250 136150455 /nfs/dbraw/zinc/15/04/55/136150455.db2.gz HYIFHWVBSRBXFC-UHFFFAOYSA-N 1 2 350.447 3.168 50 0 FGAALO Cn1cc[nH+]c1[C@H](NC(=O)COc1ccccc1Cl)c1cccc(F)c1 ZINC000009364955 263361102 /nfs/dbraw/zinc/36/11/02/263361102.db2.gz 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c1ccc(N2CCN(c3nc(-c4cccnc4)nc4ccccc43)CC2)[nH+]c1 ZINC000008177745 494073885 /nfs/dbraw/zinc/07/38/85/494073885.db2.gz OIAQNRZQLCBMAP-UHFFFAOYSA-N 1 2 368.444 3.413 50 0 FGAALO COc1cc(C[N@H+](C)Cc2nc(-c3ccccn3)no2)cc(Cl)c1O ZINC000077453358 494086304 /nfs/dbraw/zinc/08/63/04/494086304.db2.gz LKMLAPOMHQWRSV-UHFFFAOYSA-N 1 2 360.801 3.131 50 0 FGAALO COc1cc(C[N@@H+](C)Cc2nc(-c3ccccn3)no2)cc(Cl)c1O ZINC000077453358 494086308 /nfs/dbraw/zinc/08/63/08/494086308.db2.gz LKMLAPOMHQWRSV-UHFFFAOYSA-N 1 2 360.801 3.131 50 0 FGAALO CN(C)c1ccccc1C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000077504928 494099066 /nfs/dbraw/zinc/09/90/66/494099066.db2.gz JOQHLWFYLRECCS-UHFFFAOYSA-N 1 2 357.885 3.364 50 0 FGAALO CC(C)(C)c1oc(C(N)=O)cc1C[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000071762549 494099611 /nfs/dbraw/zinc/09/96/11/494099611.db2.gz HEUVGLSVRWVEIR-KRWDZBQOSA-N 1 2 360.429 3.389 50 0 FGAALO CC(C)(C)c1oc(C(N)=O)cc1C[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000071762549 494099618 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CN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)CC1=CSC2=[NH+]CCCN12 ZINC000102714891 209240343 /nfs/dbraw/zinc/24/03/43/209240343.db2.gz IRUFVIKIALRTIH-INIZCTEOSA-N 1 2 370.522 3.011 50 0 FGAALO CCc1ccc(N2C(=O)C=C([NH2+]Nc3nc4ccccc4s3)C2O)cc1 ZINC000100119761 209208654 /nfs/dbraw/zinc/20/86/54/209208654.db2.gz DOISQXLKUHAYKN-OAHLLOKOSA-N 1 2 366.446 3.107 50 0 aggregator FGAALO Cc1cc(C)n([C@H](C)CNC(=O)Cn2c3ccccc3[nH+]c2C2CC2)n1 ZINC000097717278 209192508 /nfs/dbraw/zinc/19/25/08/209192508.db2.gz AAFFMWXITRWGGS-OAHLLOKOSA-N 1 2 351.454 3.104 50 0 FGAALO O=C(NC[C@@H](c1ccoc1)[NH+]1CCSCC1)C1(c2ccc(F)cc2)CC1 ZINC000244975278 206785402 /nfs/dbraw/zinc/78/54/02/206785402.db2.gz IJIGMLIVCHQLEN-SFHVURJKSA-N 1 2 374.481 3.357 50 0 FGAALO Cc1ccc(NC(=O)C[N@@H+]2CCc3cc4c(cc3C2)OCCCO4)cc1 ZINC000005347554 207096196 /nfs/dbraw/zinc/09/61/96/207096196.db2.gz ZTZIVCDIXBPOEV-UHFFFAOYSA-N 1 2 352.434 3.153 50 0 FGAALO Cc1ccc(NC(=O)C[N@H+]2CCc3cc4c(cc3C2)OCCCO4)cc1 ZINC000005347554 207096199 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COc1cccc(NC(=O)c2ccc(CN(C)Cc3[nH+]ccn3C)cc2)c1 ZINC000065432964 221219120 /nfs/dbraw/zinc/21/91/20/221219120.db2.gz IGBCSFLKHCBPDL-UHFFFAOYSA-N 1 2 364.449 3.313 50 0 FGAALO COc1cc(NC(=O)CN(C)Cc2c[nH+]c3ccccn23)ccc1Cl ZINC000065491742 221225346 /nfs/dbraw/zinc/22/53/46/221225346.db2.gz WNECKMLEFSMCLC-UHFFFAOYSA-N 1 2 358.829 3.067 50 0 FGAALO COc1cc(NC(=O)C[N@H+](C)Cc2cnc3ccccn23)ccc1Cl ZINC000065491742 221225350 /nfs/dbraw/zinc/22/53/50/221225350.db2.gz WNECKMLEFSMCLC-UHFFFAOYSA-N 1 2 358.829 3.067 50 0 FGAALO COc1cc(NC(=O)C[N@@H+](C)Cc2cnc3ccccn23)ccc1Cl ZINC000065491742 221225355 /nfs/dbraw/zinc/22/53/55/221225355.db2.gz WNECKMLEFSMCLC-UHFFFAOYSA-N 1 2 358.829 3.067 50 0 FGAALO Cc1cc(COc2ccccc2)oc1C(=O)N1CC[C@@H](n2cc[nH+]c2)C1 ZINC000065525747 221230105 /nfs/dbraw/zinc/23/01/05/221230105.db2.gz PFKISACUGYSMON-MRXNPFEDSA-N 1 2 351.406 3.451 50 0 FGAALO O=C(NCc1ccc(Cl)cc1)C1=NO[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000066089067 221240318 /nfs/dbraw/zinc/24/03/18/221240318.db2.gz 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COc1c2c(cc3c1[C@@H](CC(=O)c1cc(C)oc1C)[N@H+](C)CC3)OCO2 ZINC000020111913 220313044 /nfs/dbraw/zinc/31/30/44/220313044.db2.gz DGZCKPQWLQDRAL-OAHLLOKOSA-N 1 2 357.406 3.436 50 0 FGAALO COc1c2c(cc3c1[C@@H](CC(=O)c1cc(C)oc1C)[N@@H+](C)CC3)OCO2 ZINC000020111913 220313045 /nfs/dbraw/zinc/31/30/45/220313045.db2.gz DGZCKPQWLQDRAL-OAHLLOKOSA-N 1 2 357.406 3.436 50 0 FGAALO CC(=O)c1ccc(NC(=O)C[NH+]2CCC(c3nnc(C(C)C)o3)CC2)cc1 ZINC000049377180 221021441 /nfs/dbraw/zinc/02/14/41/221021441.db2.gz OHUJPUQAFSUAGE-UHFFFAOYSA-N 1 2 370.453 3.214 50 0 FGAALO COc1cc([C@@H]2[NH2+][C@H](c3ccc(O)c(OC)c3)[C@H](C)C(=O)[C@@H]2C)ccc1O ZINC000055134780 221060418 /nfs/dbraw/zinc/06/04/18/221060418.db2.gz LCWMNVDSZHCUEH-JARDSOJUSA-N 1 2 371.433 3.342 50 0 FGAALO Cc1ccc(Nc2cc(N3CCC(C(=O)NC(C)C)CC3)nc[nH+]2)cc1 ZINC000065237248 221184521 /nfs/dbraw/zinc/18/45/21/221184521.db2.gz RYRGBIDFZNXOAV-UHFFFAOYSA-N 1 2 353.470 3.270 50 0 FGAALO O=C(Cn1ncc2c1nc[nH+]c2N1CCCCCC1)NC1CCCCCC1 ZINC000065295209 221197557 /nfs/dbraw/zinc/19/75/57/221197557.db2.gz GSBFQDJKZZDJMF-UHFFFAOYSA-N 1 2 370.501 3.046 50 0 FGAALO CCCC(=O)Nc1cc2c(cc1OC)NC(=O)C[C@H]2c1c[nH+]cn1CC ZINC000065406541 221214894 /nfs/dbraw/zinc/21/48/94/221214894.db2.gz UBWWCBVQFBGQOL-CYBMUJFWSA-N 1 2 356.426 3.124 50 0 FGAALO COc1cc2c(cc1[C@H]1CC(=O)NCc3[nH+]c4c(C)cccn4c31)CCC2 ZINC000065509214 221228950 /nfs/dbraw/zinc/22/89/50/221228950.db2.gz SAZGNGAQUUAADK-QGZVFWFLSA-N 1 2 361.445 3.292 50 0 FGAALO COc1cccc(F)c1C(=O)N(CCCn1cc[nH+]c1)Cc1ccncc1 ZINC000067446628 221254167 /nfs/dbraw/zinc/25/41/67/221254167.db2.gz NEACICPJWVULLV-UHFFFAOYSA-N 1 2 368.412 3.159 50 0 FGAALO c1cc(CN2CCc3[nH+]c[nH]c3[C@@H]2c2cccnc2)n(-c2ccccn2)c1 ZINC000067725068 221277811 /nfs/dbraw/zinc/27/78/11/221277811.db2.gz KCFKLETWNVYRRG-NRFANRHFSA-N 1 2 356.433 3.138 50 0 FGAALO CCSc1ncc(CN2CCc3[nH+]c[nH]c3[C@H]2c2cccc(O)c2)cn1 ZINC000067834338 221292280 /nfs/dbraw/zinc/29/22/80/221292280.db2.gz DPADIDAGFKLQIR-GOSISDBHSA-N 1 2 367.478 3.165 50 0 FGAALO CCCn1cnnc1[C@@H](C)n1cc[nH+]c1C1=Cc2cccc(OC)c2OC1 ZINC000067964971 221309155 /nfs/dbraw/zinc/30/91/55/221309155.db2.gz SATAAOYZJUHZSD-CQSZACIVSA-N 1 2 365.437 3.436 50 0 FGAALO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)Nc2c[nH]c3ccccc23)CC1 ZINC000071285854 221339707 /nfs/dbraw/zinc/33/97/07/221339707.db2.gz IHOHFUGSAUGZED-UHFFFAOYSA-N 1 2 372.469 3.096 50 0 FGAALO Cc1[nH]c2c(cc(C)cc2CNC(=O)C[N@@H+](C)Cc2cccnc2)c1C ZINC000071552075 221352175 /nfs/dbraw/zinc/35/21/75/221352175.db2.gz DKVZXQLWQRGEEB-UHFFFAOYSA-N 1 2 350.466 3.236 50 0 FGAALO Cc1[nH]c2c(cc(C)cc2CNC(=O)C[N@H+](C)Cc2cccnc2)c1C ZINC000071552075 221352178 /nfs/dbraw/zinc/35/21/78/221352178.db2.gz DKVZXQLWQRGEEB-UHFFFAOYSA-N 1 2 350.466 3.236 50 0 FGAALO C[C@H](c1nc(-c2ccccn2)no1)n1cc[nH+]c1-c1ccc2c(c1)OCO2 ZINC000071589600 221352692 /nfs/dbraw/zinc/35/26/92/221352692.db2.gz WYVBOLKZYGSYCG-GFCCVEGCSA-N 1 2 361.361 3.333 50 0 FGAALO COc1ccc(-c2[nH+]ccn2-c2ccc3c[nH]nc3c2)cc1Cn1cncn1 ZINC000071552072 221352759 /nfs/dbraw/zinc/35/27/59/221352759.db2.gz IMQXJQUIHQVCHQ-UHFFFAOYSA-N 1 2 371.404 3.064 50 0 FGAALO COc1cc2c(cc1-c1[nH+]ccn1[C@@H](C)Cc1cnccn1)OCCCO2 ZINC000071747414 221360014 /nfs/dbraw/zinc/36/00/14/221360014.db2.gz ICGYGVDEIKCZQA-AWEZNQCLSA-N 1 2 366.421 3.314 50 0 FGAALO C[C@@H](c1cccnc1)[N@H+](C)Cc1c(C(=O)N2CCCC2)nc2ccccn21 ZINC000071759084 221366959 /nfs/dbraw/zinc/36/69/59/221366959.db2.gz HPLNGGAERPDHQK-INIZCTEOSA-N 1 2 363.465 3.158 50 0 FGAALO C[C@@H](c1cccnc1)[N@@H+](C)Cc1c(C(=O)N2CCCC2)nc2ccccn21 ZINC000071759084 221366961 /nfs/dbraw/zinc/36/69/61/221366961.db2.gz HPLNGGAERPDHQK-INIZCTEOSA-N 1 2 363.465 3.158 50 0 FGAALO Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC2(CC1)NC(C)=NC2=O ZINC000071760849 221367640 /nfs/dbraw/zinc/36/76/40/221367640.db2.gz IMKCTLUZGNXDFL-UHFFFAOYSA-N 1 2 372.856 3.186 50 0 FGAALO Cc1cccn2cc(CCNC(=O)c3cccnc3N3CCCCC3)[nH+]c12 ZINC000095963005 132216388 /nfs/dbraw/zinc/21/63/88/132216388.db2.gz RJNLKEFLNKHHMV-UHFFFAOYSA-N 1 2 363.465 3.001 50 0 FGAALO Cc1ccc(F)cc1S(=O)(=O)N1C[C@@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000097009283 132226912 /nfs/dbraw/zinc/22/69/12/132226912.db2.gz SYQRWEWSSKBUAG-KRWDZBQOSA-N 1 2 371.437 3.323 50 0 FGAALO O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000000795602 132378558 /nfs/dbraw/zinc/37/85/58/132378558.db2.gz BDXQRVCOULWQEU-UHFFFAOYSA-N 1 2 350.344 3.455 50 0 FGAALO Cc1ccc(C)c([C@@H](C)NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC000009809483 132846934 /nfs/dbraw/zinc/84/69/34/132846934.db2.gz LFBRUEWJFYNPKT-QGZVFWFLSA-N 1 2 368.481 3.095 50 0 FGAALO Cc1ccc(N2CC[NH+]([C@@H](C)C(=O)N[C@H](C)c3ccccc3)CC2)cc1 ZINC000034668325 136117794 /nfs/dbraw/zinc/11/77/94/136117794.db2.gz NLPDJIFVGVVYKN-MOPGFXCFSA-N 1 2 351.494 3.383 50 0 FGAALO O=C(NCC1CCN(c2cccc[nH+]2)CC1)c1nc2ccccc2s1 ZINC000043975781 136121516 /nfs/dbraw/zinc/12/15/16/136121516.db2.gz BHOAJUSCNWLQHE-UHFFFAOYSA-N 1 2 352.463 3.338 50 0 FGAALO COc1ccccc1N1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000055526904 136126896 /nfs/dbraw/zinc/12/68/96/136126896.db2.gz JHZNFBODDVLSDO-UHFFFAOYSA-N 1 2 350.422 3.067 50 0 FGAALO C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCN(c2ccccc2O)CC1 ZINC000057024415 136128089 /nfs/dbraw/zinc/12/80/89/136128089.db2.gz PHQDYFLNKYCHRZ-CQSZACIVSA-N 1 2 359.857 3.195 50 0 FGAALO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000057290105 136128390 /nfs/dbraw/zinc/12/83/90/136128390.db2.gz ZCWFZXSOSDDESY-HNNXBMFYSA-N 1 2 373.884 3.498 50 0 FGAALO c1cc2c(ccnc2N2CC[NH+](Cc3nc4c(s3)CCCC4)CC2)o1 ZINC000065417855 136136423 /nfs/dbraw/zinc/13/64/23/136136423.db2.gz YJPUKMSREBFVDX-UHFFFAOYSA-N 1 2 354.479 3.485 50 0 FGAALO CCCN(Cc1[nH+]ccn1C)C(=O)Nc1cccc(-c2n[nH]c(CC)n2)c1 ZINC000096133245 222037831 /nfs/dbraw/zinc/03/78/31/222037831.db2.gz SCLIDDYVQBZOOD-UHFFFAOYSA-N 1 2 367.457 3.212 50 0 FGAALO COc1cccc(/C=C\C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)c1 ZINC000096926029 222141332 /nfs/dbraw/zinc/14/13/32/222141332.db2.gz QEYVXXGSKBTISD-QJRAZLAKSA-N 1 2 365.408 3.487 50 0 FGAALO O=C(NCc1c(F)cccc1Cl)c1cnc(C[NH+]2CCCC2)s1 ZINC000097679976 222205927 /nfs/dbraw/zinc/20/59/27/222205927.db2.gz CNFGUJDCXUNRRS-UHFFFAOYSA-N 1 2 353.850 3.461 50 0 FGAALO O=C(c1cccc2nccnc21)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000097784900 222212863 /nfs/dbraw/zinc/21/28/63/222212863.db2.gz GVZJHSYYWBQAOX-VMPITWQZSA-N 1 2 358.445 3.101 50 0 FGAALO OCC[C@@H]1CN(Cc2c(Cl)cncc2Cl)CC[N@@H+]1Cc1ccco1 ZINC000105983562 222380946 /nfs/dbraw/zinc/38/09/46/222380946.db2.gz UBTUDCBVQLQDNN-CYBMUJFWSA-N 1 2 370.280 3.050 50 0 FGAALO OCC[C@@H]1CN(Cc2c(Cl)cncc2Cl)CC[N@H+]1Cc1ccco1 ZINC000105983562 222380948 /nfs/dbraw/zinc/38/09/48/222380948.db2.gz UBTUDCBVQLQDNN-CYBMUJFWSA-N 1 2 370.280 3.050 50 0 FGAALO O=C(COc1ccc2ccccc2c1)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000029217868 493826366 /nfs/dbraw/zinc/82/63/66/493826366.db2.gz WAKJGNJJRRABJZ-UHFFFAOYSA-N 1 2 358.401 3.116 50 0 FGAALO C[C@@H]1CCC[C@H]([N@H+](CC(=O)NC(N)=O)Cc2c(F)cccc2Cl)[C@@H]1C ZINC000058174398 493830409 /nfs/dbraw/zinc/83/04/09/493830409.db2.gz 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Clc1cc(NC[C@@H](c2ccccn2)[NH+]2CCOCC2)nc2[nH]ccc21 ZINC000072480742 494182400 /nfs/dbraw/zinc/18/24/00/494182400.db2.gz NSRPRBLKQXAURM-INIZCTEOSA-N 1 2 357.845 3.097 50 0 FGAALO O=C(NCc1cccnc1-n1cc[nH+]c1)c1ccc(N2CCCCC2)cc1 ZINC000011819377 494192664 /nfs/dbraw/zinc/19/26/64/494192664.db2.gz TYTMTJIEBKMNRY-UHFFFAOYSA-N 1 2 361.449 3.188 50 0 FGAALO Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000012374437 494227635 /nfs/dbraw/zinc/22/76/35/494227635.db2.gz KSHYZVRIHFBPLE-GASCZTMLSA-N 1 2 358.482 3.481 50 0 FGAALO Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000012374437 494227637 /nfs/dbraw/zinc/22/76/37/494227637.db2.gz KSHYZVRIHFBPLE-GASCZTMLSA-N 1 2 358.482 3.481 50 0 FGAALO O=C(N[C@H](Cc1[nH]cc[nH+]1)c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000012506988 494236086 /nfs/dbraw/zinc/23/60/86/494236086.db2.gz STLRXMXUUJTCTK-QGZVFWFLSA-N 1 2 363.417 3.285 50 0 FGAALO COc1ccc([C@@H](NC(=O)Cc2cccc(F)c2)c2[nH+]ccn2C)cc1 ZINC000012507732 494236621 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CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cc(F)c(F)c(F)c1F)C2 ZINC000112664149 495219729 /nfs/dbraw/zinc/21/97/29/495219729.db2.gz NPLVYZUUERSPBG-UHFFFAOYSA-N 1 2 355.335 3.298 50 0 FGAALO Oc1cccc(N2CC[NH+](Cc3nnc(-c4ccccc4Cl)o3)CC2)c1 ZINC000120855784 495472129 /nfs/dbraw/zinc/47/21/29/495472129.db2.gz VUHTWEYDJSMCOA-UHFFFAOYSA-N 1 2 370.840 3.418 50 0 FGAALO O=C(COc1ccc(Cl)cc1Cl)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120900516 495481250 /nfs/dbraw/zinc/48/12/50/495481250.db2.gz FVASPWNFQNXQFM-CQSZACIVSA-N 1 2 367.232 3.447 50 0 FGAALO CCCCc1noc(C[NH+]2CCC(NC(=O)c3cc(C)oc3C)CC2)n1 ZINC000170775844 495600987 /nfs/dbraw/zinc/60/09/87/495600987.db2.gz RSRKIPZMRQVIGV-UHFFFAOYSA-N 1 2 360.458 3.016 50 0 FGAALO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3nc(C)cs3)CC2)c1 ZINC000171723010 496007142 /nfs/dbraw/zinc/00/71/42/496007142.db2.gz ZEIBNFUYGTWZNG-AWEZNQCLSA-N 1 2 360.483 3.371 50 0 FGAALO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@H](CCCO)c1ccccc1)C2 ZINC000156378837 496228838 /nfs/dbraw/zinc/22/88/38/496228838.db2.gz 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ZINC000215374269 496981083 /nfs/dbraw/zinc/98/10/83/496981083.db2.gz PNPSREOSXTWMSA-UHFFFAOYSA-N 1 2 354.376 3.360 50 0 FGAALO Cc1cc(-c2nn(C)c(Cl)c2CN(C)Cc2c[nH+]c3ccccn23)no1 ZINC000215982755 496985676 /nfs/dbraw/zinc/98/56/76/496985676.db2.gz UNOJKLZQVMJABK-UHFFFAOYSA-N 1 2 370.844 3.317 50 0 FGAALO Cc1cc(-c2nn(C)c(Cl)c2C[N@H+](C)Cc2cnc3ccccn23)no1 ZINC000215982755 496985679 /nfs/dbraw/zinc/98/56/79/496985679.db2.gz UNOJKLZQVMJABK-UHFFFAOYSA-N 1 2 370.844 3.317 50 0 FGAALO Cc1cc(-c2nn(C)c(Cl)c2C[N@@H+](C)Cc2cnc3ccccn23)no1 ZINC000215982755 496985687 /nfs/dbraw/zinc/98/56/87/496985687.db2.gz UNOJKLZQVMJABK-UHFFFAOYSA-N 1 2 370.844 3.317 50 0 FGAALO Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCc1c[nH+]cn1C1CC1)O2 ZINC000222821836 497028495 /nfs/dbraw/zinc/02/84/95/497028495.db2.gz UKMJLOWPCCFIKV-NRFANRHFSA-N 1 2 369.465 3.249 50 0 FGAALO COc1cccc(Cl)c1CNC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000252490294 497305294 /nfs/dbraw/zinc/30/52/94/497305294.db2.gz KOBHJKAYTIZYTM-UHFFFAOYSA-N 1 2 358.829 3.304 50 0 FGAALO CC[N@@H+](Cc1ccc2[nH]ccc2c1)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000252492965 497306581 /nfs/dbraw/zinc/30/65/81/497306581.db2.gz MYLWLYCECNFAED-UHFFFAOYSA-N 1 2 368.462 3.012 50 0 FGAALO CC[N@H+](Cc1ccc2[nH]ccc2c1)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000252492965 497306584 /nfs/dbraw/zinc/30/65/84/497306584.db2.gz MYLWLYCECNFAED-UHFFFAOYSA-N 1 2 368.462 3.012 50 0 FGAALO c1c(C[NH+]2CCN(c3nc4ccccc4o3)CC2)onc1-c1cccnc1 ZINC000244659534 497366150 /nfs/dbraw/zinc/36/61/50/497366150.db2.gz HEILEQOMBLXHIW-UHFFFAOYSA-N 1 2 361.405 3.200 50 0 FGAALO C[N@H+](CC(=O)N[C@H]1CCC[C@H]1Cc1ccc(F)cc1)Cc1ccccn1 ZINC000244872987 497372004 /nfs/dbraw/zinc/37/20/04/497372004.db2.gz WHYVDOBQWCDHET-PXNSSMCTSA-N 1 2 355.457 3.180 50 0 FGAALO C[N@@H+](CC(=O)N[C@H]1CCC[C@H]1Cc1ccc(F)cc1)Cc1ccccn1 ZINC000244872987 497372008 /nfs/dbraw/zinc/37/20/08/497372008.db2.gz WHYVDOBQWCDHET-PXNSSMCTSA-N 1 2 355.457 3.180 50 0 FGAALO Cc1c[nH+]c([C@@H]2CCN(C(=O)c3cccnc3)C2)n1Cc1ccc(F)cc1 ZINC000575316405 505959634 /nfs/dbraw/zinc/95/96/34/505959634.db2.gz KKQMLCDYEZHPMH-GOSISDBHSA-N 1 2 364.424 3.404 50 0 FGAALO CN(C(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1)c1ccn(C)n1 ZINC000330025476 497995697 /nfs/dbraw/zinc/99/56/97/497995697.db2.gz AYPHEKUSHRNFKF-UHFFFAOYSA-N 1 2 351.454 3.481 50 0 FGAALO Cc1cc(C)n(CC(=O)N2CC[C@H](n3c(C)c[nH+]c3-c3ccccc3)C2)n1 ZINC000575549586 505979636 /nfs/dbraw/zinc/97/96/36/505979636.db2.gz ODZVUXKKYKAMDJ-IBGZPJMESA-N 1 2 363.465 3.145 50 0 FGAALO Cc1c[nH+]c(C2CC2)n1CC1CCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000575549191 505980166 /nfs/dbraw/zinc/98/01/66/505980166.db2.gz JBZSLWAINBEYFP-UHFFFAOYSA-N 1 2 363.465 3.498 50 0 FGAALO Cc1c[nH+]c(-c2ccccc2)n1C1CN(S(=O)(=O)c2cccc(F)c2)C1 ZINC000575551288 505980978 /nfs/dbraw/zinc/98/09/78/505980978.db2.gz QYNHQWNKJJQASD-UHFFFAOYSA-N 1 2 371.437 3.243 50 0 FGAALO CC(=O)N(c1nc(C[NH+]2CCC(c3c[nH]nc3C)CC2)cs1)C1CC1 ZINC000375385531 499512503 /nfs/dbraw/zinc/51/25/03/499512503.db2.gz ZJVQAOQGPYCTDO-UHFFFAOYSA-N 1 2 359.499 3.070 50 0 FGAALO CN(CCCNC(=O)N1CCCC[C@@H]1CCn1cc[nH+]c1)c1ccccc1 ZINC000426535581 500286484 /nfs/dbraw/zinc/28/64/84/500286484.db2.gz AUNMXMMNWOUJHY-HXUWFJFHSA-N 1 2 369.513 3.364 50 0 FGAALO CCn1ncc(C[N@H+](C)Cc2c(Cl)n(C)nc2-c2cc(C)on2)c1C ZINC000426705674 500308719 /nfs/dbraw/zinc/30/87/19/500308719.db2.gz JKHVVZOQYMSLKJ-UHFFFAOYSA-N 1 2 362.865 3.194 50 0 FGAALO CCn1ncc(C[N@@H+](C)Cc2c(Cl)n(C)nc2-c2cc(C)on2)c1C ZINC000426705674 500308720 /nfs/dbraw/zinc/30/87/20/500308720.db2.gz JKHVVZOQYMSLKJ-UHFFFAOYSA-N 1 2 362.865 3.194 50 0 FGAALO Cc1cc(-c2ccc(C(=O)NC[C@@H](C)n3cc[nH+]c3)cc2)c(=O)[nH]c1C ZINC000534582855 504182151 /nfs/dbraw/zinc/18/21/51/504182151.db2.gz SGVRWSBSSJLCTA-CQSZACIVSA-N 1 2 350.422 3.259 50 0 FGAALO C[C@H](CNC(=O)N(Cc1ccsc1)C1CCCCC1)[NH+]1CCOCC1 ZINC000584900945 507563999 /nfs/dbraw/zinc/56/39/99/507563999.db2.gz NRLAFVBHWFSVQG-MRXNPFEDSA-N 1 2 365.543 3.313 50 0 FGAALO CN(CCn1cc[nH+]c1)C(=O)NCCSCc1cccc(Cl)c1 ZINC000584902294 507564265 /nfs/dbraw/zinc/56/42/65/507564265.db2.gz PFZDNQHJCKHGRN-UHFFFAOYSA-N 1 2 352.891 3.111 50 0 FGAALO CC(C)COC(=O)N1CCC[N@@H+]([C@@H](C)c2nnc(CC(C)C)o2)CC1 ZINC000089856600 519750936 /nfs/dbraw/zinc/75/09/36/519750936.db2.gz NUIJHDWCFQRLJJ-HNNXBMFYSA-N 1 2 352.479 3.129 50 0 FGAALO CC(C)COC(=O)N1CCC[N@H+]([C@@H](C)c2nnc(CC(C)C)o2)CC1 ZINC000089856600 519750937 /nfs/dbraw/zinc/75/09/37/519750937.db2.gz NUIJHDWCFQRLJJ-HNNXBMFYSA-N 1 2 352.479 3.129 50 0 FGAALO Cc1ccc(N2C[C@@H](C)[N@@H+](Cc3ccc(Cn4cccn4)cc3)CC2=O)cc1 ZINC000082106344 524981377 /nfs/dbraw/zinc/98/13/77/524981377.db2.gz LGNQISCSRMYWSK-LJQANCHMSA-N 1 2 374.488 3.477 50 0 FGAALO Cc1ccc(N2C[C@@H](C)[N@H+](Cc3ccc(Cn4cccn4)cc3)CC2=O)cc1 ZINC000082106344 524981389 /nfs/dbraw/zinc/98/13/89/524981389.db2.gz LGNQISCSRMYWSK-LJQANCHMSA-N 1 2 374.488 3.477 50 0 FGAALO C[C@@H](NC(=O)c1ccc(Oc2ccccc2)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000078510555 525331268 /nfs/dbraw/zinc/33/12/68/525331268.db2.gz XMJROVZJHMQZMX-SJORKVTESA-N 1 2 354.450 3.318 50 0 FGAALO COc1ccc2c(C)c(C(=O)NCCSCc3[nH]c[nH+]c3C)oc2c1 ZINC000091664216 525494475 /nfs/dbraw/zinc/49/44/75/525494475.db2.gz OETWCIYTZMQOGM-UHFFFAOYSA-N 1 2 359.451 3.445 50 0 FGAALO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1 ZINC000006113270 526006087 /nfs/dbraw/zinc/00/60/87/526006087.db2.gz GADQNENXJPHFCR-RBSFLKMASA-N 1 2 365.905 3.103 50 0 FGAALO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1 ZINC000006113270 526006092 /nfs/dbraw/zinc/00/60/92/526006092.db2.gz GADQNENXJPHFCR-RBSFLKMASA-N 1 2 365.905 3.103 50 0 FGAALO S=C(NCC[NH+]1CCOCC1)Nc1ccc(Nc2ccccc2)cc1 ZINC000019849633 526383931 /nfs/dbraw/zinc/38/39/31/526383931.db2.gz DEEDRLPJLVTLAB-UHFFFAOYSA-N 1 2 356.495 3.049 50 0 FGAALO O=c1cc(CO)oc([C@@H](Nc2cccc[nH+]2)c2ccccc2Cl)c1O ZINC000020218803 527479607 /nfs/dbraw/zinc/47/96/07/527479607.db2.gz IVVKFDJWFIENGM-INIZCTEOSA-N 1 2 358.781 3.088 50 0 FGAALO O=C([O-])Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)cc1 ZINC000082109481 527637890 /nfs/dbraw/zinc/63/78/90/527637890.db2.gz YALQSURFKBLRKV-IBGZPJMESA-N 1 2 353.466 3.300 50 0 FGAALO O=C([O-])Cc1ccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)cc1 ZINC000082109481 527637898 /nfs/dbraw/zinc/63/78/98/527637898.db2.gz YALQSURFKBLRKV-IBGZPJMESA-N 1 2 353.466 3.300 50 0 FGAALO CCC[C@H](C)NC(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057449382 535642825 /nfs/dbraw/zinc/64/28/25/535642825.db2.gz DJLVFNVWHDFTSF-AWEZNQCLSA-N 1 2 357.420 3.132 50 0 FGAALO CCOc1ccc(NC(=O)C[NH+]2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000055060339 535738131 /nfs/dbraw/zinc/73/81/31/535738131.db2.gz IQCRHGBJVDMCRS-UHFFFAOYSA-N 1 2 367.493 3.463 50 0 FGAALO CCOc1ccc(NC(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000058139155 535738211 /nfs/dbraw/zinc/73/82/11/535738211.db2.gz PJTCRKSONRQCSZ-UHFFFAOYSA-N 1 2 373.884 3.499 50 0 FGAALO COc1ccc(Cl)cc1NC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000055182977 536576656 /nfs/dbraw/zinc/57/66/56/536576656.db2.gz WCFXVDSJGHMXMI-UHFFFAOYSA-N 1 2 359.857 3.109 50 0 FGAALO COc1cc(OC)c(OC)cc1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000001227521 536866172 /nfs/dbraw/zinc/86/61/72/536866172.db2.gz JHKPQTAYCSJQAM-UHFFFAOYSA-N 1 2 360.429 3.174 50 0 FGAALO CCCOC(=O)c1ccc(NC(=O)NCc2cc[nH+]c(N(C)C)c2)cc1 ZINC000048019933 570933627 /nfs/dbraw/zinc/93/36/27/570933627.db2.gz KTDLGQHQACJRKG-UHFFFAOYSA-N 1 2 356.426 3.036 50 0 FGAALO CCOc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)cc1OC ZINC000048234901 570937480 /nfs/dbraw/zinc/93/74/80/570937480.db2.gz HVCNGYPTGBLRFO-IBGZPJMESA-N 1 2 365.433 3.347 50 0 FGAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1cnc2ccccc2n1 ZINC000048253053 570940198 /nfs/dbraw/zinc/94/01/98/570940198.db2.gz HLNCKBAGWIBVDY-UHFFFAOYSA-N 1 2 361.449 3.335 50 0 FGAALO Cc1cc(NC(=O)[C@H](C)[N@H+](C)Cc2cc(Br)cs2)no1 ZINC000048367765 570952927 /nfs/dbraw/zinc/95/29/27/570952927.db2.gz ITTPUSWMAJSEKS-VIFPVBQESA-N 1 2 358.261 3.266 50 0 FGAALO Cc1cc(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(Br)cs2)no1 ZINC000048367765 570952930 /nfs/dbraw/zinc/95/29/30/570952930.db2.gz ITTPUSWMAJSEKS-VIFPVBQESA-N 1 2 358.261 3.266 50 0 FGAALO Cc1cc(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(Br)cs2)on1 ZINC000048575417 570957488 /nfs/dbraw/zinc/95/74/88/570957488.db2.gz WWVKPOXPKFYLSU-SECBINFHSA-N 1 2 358.261 3.266 50 0 FGAALO Cc1cc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(Br)cs2)on1 ZINC000048575417 570957490 /nfs/dbraw/zinc/95/74/90/570957490.db2.gz WWVKPOXPKFYLSU-SECBINFHSA-N 1 2 358.261 3.266 50 0 FGAALO CN(C)c1[nH+]cccc1NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000049728376 570965776 /nfs/dbraw/zinc/96/57/76/570965776.db2.gz CCXZHGQGQYTWOT-UHFFFAOYSA-N 1 2 370.453 3.425 50 0 FGAALO Cc1cccnc1-c1ccc(C(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000426414186 571222164 /nfs/dbraw/zinc/22/21/64/571222164.db2.gz AYDDDGGTPCSMGF-UHFFFAOYSA-N 1 2 372.472 3.410 50 0 FGAALO CO[C@H]1CCC[N@H+](Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)C1 ZINC000012005195 695604248 /nfs/dbraw/zinc/60/42/48/695604248.db2.gz JTCCIVMPVAWDPF-AWEZNQCLSA-N 1 2 355.360 3.290 50 0 FGAALO CO[C@H]1CCC[N@@H+](Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)C1 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C[N@H+]1CCN(C(=O)CCC(=O)c2ccc(F)cc2)[C@H](c2ccccc2)C1 ZINC000030997337 493917078 /nfs/dbraw/zinc/91/70/78/493917078.db2.gz UZKYSBFUXBNBKW-IBGZPJMESA-N 1 2 354.425 3.304 50 0 FGAALO CCOC(=O)c1sc2[nH]c([C@H](C)[NH+]3CCC(C)CC3)nc(=O)c2c1C ZINC000007003666 493993373 /nfs/dbraw/zinc/99/33/73/493993373.db2.gz TZSQGZQDKNGXGA-LBPRGKRZSA-N 1 2 363.483 3.263 50 0 FGAALO C[C@H](C(=O)N(C)C1CCCCC1)[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000007266038 494012235 /nfs/dbraw/zinc/01/22/35/494012235.db2.gz IAVKRWGIUQAFBS-CQSZACIVSA-N 1 2 365.905 3.390 50 0 FGAALO C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000007266038 494012237 /nfs/dbraw/zinc/01/22/37/494012237.db2.gz IAVKRWGIUQAFBS-CQSZACIVSA-N 1 2 365.905 3.390 50 0 FGAALO CN1CC[NH+](Cc2cccc(NC(=O)/C=C/c3c(F)cccc3F)c2)CC1 ZINC000070037367 494039647 /nfs/dbraw/zinc/03/96/47/494039647.db2.gz RCQFGFGSTUGBMX-CMDGGOBGSA-N 1 2 371.431 3.364 50 0 FGAALO Cc1cc(N)nc(S[C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)[nH+]1 ZINC000084114567 494049496 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CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+](C)Cc1ccco1 ZINC000008199343 494074900 /nfs/dbraw/zinc/07/49/00/494074900.db2.gz MIFKQRVRXUSWQD-UHFFFAOYSA-N 1 2 350.440 3.205 50 0 FGAALO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+](C)Cc1ccco1 ZINC000008199343 494074902 /nfs/dbraw/zinc/07/49/02/494074902.db2.gz MIFKQRVRXUSWQD-UHFFFAOYSA-N 1 2 350.440 3.205 50 0 FGAALO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)no1 ZINC000008249043 494078574 /nfs/dbraw/zinc/07/85/74/494078574.db2.gz VSWOFEZSGQOTJJ-ZDUSSCGKSA-N 1 2 356.451 3.411 50 0 FGAALO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)no1 ZINC000008249043 494078577 /nfs/dbraw/zinc/07/85/77/494078577.db2.gz VSWOFEZSGQOTJJ-ZDUSSCGKSA-N 1 2 356.451 3.411 50 0 FGAALO COc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000036384696 494090515 /nfs/dbraw/zinc/09/05/15/494090515.db2.gz IECASOUGWYKLAU-QINHECLXSA-N 1 2 354.450 3.484 50 0 FGAALO C(c1nc(C2CC2)no1)[NH+]1CCC2(C[C@@H]2c2nnc3n2CCCCC3)CC1 ZINC000071890615 494106917 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c1nn(-c2ccccc2)c2nc[nH+]c(NC[C@@H]3COc4ccccc4O3)c12 ZINC000009513568 494126139 /nfs/dbraw/zinc/12/61/39/494126139.db2.gz IXKQCQDGIQZPOV-OAHLLOKOSA-N 1 2 359.389 3.067 50 0 FGAALO C[C@H](NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1)c1ccccc1 ZINC000040067957 494128909 /nfs/dbraw/zinc/12/89/09/494128909.db2.gz RVIXBQLHTTUBFX-PXNSSMCTSA-N 1 2 353.466 3.120 50 0 FGAALO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2F)C1)c1nc2ccc(F)cc2[nH]1 ZINC000072135278 494131849 /nfs/dbraw/zinc/13/18/49/494131849.db2.gz AOJOHBFQWVJVJB-HNNXBMFYSA-N 1 2 370.403 3.236 50 0 FGAALO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1nc2ccc(F)cc2[nH]1 ZINC000072135278 494131853 /nfs/dbraw/zinc/13/18/53/494131853.db2.gz AOJOHBFQWVJVJB-HNNXBMFYSA-N 1 2 370.403 3.236 50 0 FGAALO CCn1ccnc1C[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000072144262 494132999 /nfs/dbraw/zinc/13/29/99/494132999.db2.gz MBDAFOBDPLUNDB-UHFFFAOYSA-N 1 2 353.388 3.405 50 0 FGAALO Cc1c(Cl)cccc1NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000072157068 494138072 /nfs/dbraw/zinc/13/80/72/494138072.db2.gz CJRXLARBVJEKIE-OAHLLOKOSA-N 1 2 351.878 3.367 50 0 FGAALO CC(=O)c1ccc(C(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)s1 ZINC000072166876 494141276 /nfs/dbraw/zinc/14/12/76/494141276.db2.gz BVQHSEQMBWZWKU-SFHVURJKSA-N 1 2 368.502 3.266 50 0 FGAALO Cc1cccn2cc(COc3ccc(C(=O)N4CCO[C@@H](C)C4)cc3)[nH+]c12 ZINC000010895282 494164300 /nfs/dbraw/zinc/16/43/00/494164300.db2.gz NUCFCRPLYFTKIX-INIZCTEOSA-N 1 2 365.433 3.083 50 0 FGAALO O=C(Cc1ccc(O)c(Cl)c1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000072463343 494177119 /nfs/dbraw/zinc/17/71/19/494177119.db2.gz TVPARIFYTWHKOL-UHFFFAOYSA-N 1 2 362.832 3.072 50 0 FGAALO COc1ccc2[nH]nc(C[NH+]3CCC([C@H](O)Cc4ccccc4)CC3)c2c1 ZINC000072458648 494177265 /nfs/dbraw/zinc/17/72/65/494177265.db2.gz YFWRDCLOCXJOTA-JOCHJYFZSA-N 1 2 365.477 3.387 50 0 FGAALO Nc1ncccc1CN1CCc2[nH+]c[nH]c2[C@@H]1c1ccc(Cl)cc1F ZINC000072479711 494182271 /nfs/dbraw/zinc/18/22/71/494182271.db2.gz KSYRNCJDNHSSNX-KRWDZBQOSA-N 1 2 357.820 3.327 50 0 FGAALO Cc1cc(C)cc(C(=O)N2CC[N@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)c1 ZINC000072479304 494182388 /nfs/dbraw/zinc/18/23/88/494182388.db2.gz LHTKEFCXIZCMJQ-NRFANRHFSA-N 1 2 370.468 3.152 50 0 FGAALO Cc1cc(C)cc(C(=O)N2CC[N@@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)c1 ZINC000072479304 494182392 /nfs/dbraw/zinc/18/23/92/494182392.db2.gz LHTKEFCXIZCMJQ-NRFANRHFSA-N 1 2 370.468 3.152 50 0 FGAALO c1ccc(-c2noc(C[N@H+]3CCC[C@@H](OCc4ccccn4)C3)n2)cc1 ZINC000011668058 494185948 /nfs/dbraw/zinc/18/59/48/494185948.db2.gz SEEXTJAQDKNWEJ-GOSISDBHSA-N 1 2 350.422 3.313 50 0 FGAALO c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](OCc4ccccn4)C3)n2)cc1 ZINC000011668058 494185950 /nfs/dbraw/zinc/18/59/50/494185950.db2.gz SEEXTJAQDKNWEJ-GOSISDBHSA-N 1 2 350.422 3.313 50 0 FGAALO Cc1ccc(Nc2nc(NC3CCCC3)[nH+]c(N3CCOCC3)n2)cc1C ZINC000012234965 494216172 /nfs/dbraw/zinc/21/61/72/494216172.db2.gz PZGNPILLLXQYTB-UHFFFAOYSA-N 1 2 368.485 3.423 50 0 FGAALO c1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccc4c(c3)OCO4)no2)nc1 ZINC000012430462 494232378 /nfs/dbraw/zinc/23/23/78/494232378.db2.gz PCLZTQQBBKRSIU-OAHLLOKOSA-N 1 2 350.378 3.197 50 0 FGAALO c1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccc4c(c3)OCO4)no2)nc1 ZINC000012430462 494232381 /nfs/dbraw/zinc/23/23/81/494232381.db2.gz PCLZTQQBBKRSIU-OAHLLOKOSA-N 1 2 350.378 3.197 50 0 FGAALO CN(C)c1ccc(NC(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000012534210 494238456 /nfs/dbraw/zinc/23/84/56/494238456.db2.gz HXTHIZLUGZBXOW-UHFFFAOYSA-N 1 2 372.900 3.167 50 0 FGAALO CCc1nnc(NC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000043345686 494288914 /nfs/dbraw/zinc/28/89/14/494288914.db2.gz ZALINSLBJRVVRX-UHFFFAOYSA-N 1 2 365.890 3.104 50 0 FGAALO C[N@@H+]1CC[C@H](NC(=O)[C@H]2COc3ccccc3C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000089375094 494298870 /nfs/dbraw/zinc/29/88/70/494298870.db2.gz CIBZQLMLGIWDGP-BPAFIMBUSA-N 1 2 372.415 3.078 50 0 FGAALO C[N@H+]1CC[C@H](NC(=O)[C@H]2COc3ccccc3C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000089375094 494298874 /nfs/dbraw/zinc/29/88/74/494298874.db2.gz CIBZQLMLGIWDGP-BPAFIMBUSA-N 1 2 372.415 3.078 50 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Cc1ccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2)[NH+]2CCOCC2)cc1 ZINC000023105736 494549292 /nfs/dbraw/zinc/54/92/92/494549292.db2.gz ZPICEASIOARMRY-HXUWFJFHSA-N 1 2 372.896 3.381 50 0 FGAALO Cc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2)[NH+]2CCOCC2)cc1 ZINC000023105835 494549587 /nfs/dbraw/zinc/54/95/87/494549587.db2.gz KMTNKNGXFDESNL-LJQANCHMSA-N 1 2 358.869 3.452 50 0 FGAALO Cc1ccc2cc(C[N@@H+]3CCc4nc[nH]c4[C@H]3c3ccco3)c(=O)[nH]c2c1 ZINC000067541329 494562122 /nfs/dbraw/zinc/56/21/22/494562122.db2.gz ZTOXIGMLAPGFRG-HXUWFJFHSA-N 1 2 360.417 3.300 50 0 FGAALO Cc1ccc2cc(C[N@H+]3CCc4nc[nH]c4[C@H]3c3ccco3)c(=O)[nH]c2c1 ZINC000067541329 494562125 /nfs/dbraw/zinc/56/21/25/494562125.db2.gz ZTOXIGMLAPGFRG-HXUWFJFHSA-N 1 2 360.417 3.300 50 0 FGAALO COc1ccc2cc(C[N@H+](C)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)ccc2c1 ZINC000023718798 494576890 /nfs/dbraw/zinc/57/68/90/494576890.db2.gz FUOQAQTZVUBDOT-PMACEKPBSA-N 1 2 364.445 3.189 50 0 FGAALO COc1ccc2cc(C[N@@H+](C)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)ccc2c1 ZINC000023718798 494576895 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CCOCCn1nc(C)cc1C(=O)N1CCC(c2[nH+]ccn2C(C)C)CC1 ZINC000095515462 494984116 /nfs/dbraw/zinc/98/41/16/494984116.db2.gz CETLVQQBBBTVCN-UHFFFAOYSA-N 1 2 373.501 3.025 50 0 FGAALO CC(C)n1cc[nH+]c1C1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1 ZINC000095518043 494985568 /nfs/dbraw/zinc/98/55/68/494985568.db2.gz XCLPEQZHKSQLKB-UHFFFAOYSA-N 1 2 364.453 3.269 50 0 FGAALO Cn1cnc2cc(C(=O)N3CCC[C@@H](c4[nH+]ccn4CC4CC4)C3)ccc21 ZINC000095528546 494988299 /nfs/dbraw/zinc/98/82/99/494988299.db2.gz RJTKFIWCAJFXAH-QGZVFWFLSA-N 1 2 363.465 3.200 50 0 FGAALO CCOc1cc2c(cc1NC(=O)N1CCC(n3cc[nH+]c3)CC1)O[C@H](C)C2 ZINC000095958283 494992482 /nfs/dbraw/zinc/99/24/82/494992482.db2.gz ORWJAEBLHVUKEF-CQSZACIVSA-N 1 2 370.453 3.474 50 0 FGAALO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)CCN1 ZINC000101730220 495093187 /nfs/dbraw/zinc/09/31/87/495093187.db2.gz ODDLVVXZRSRPIZ-KRWDZBQOSA-N 1 2 372.852 3.174 50 0 FGAALO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)CCN1 ZINC000101730220 495093192 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CCC(CC)c1cc(CNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)on1 ZINC000183152496 495857042 /nfs/dbraw/zinc/85/70/42/495857042.db2.gz OWEHFABONKBUCC-HNNXBMFYSA-N 1 2 359.474 3.332 50 0 FGAALO CCC(CC)c1cc(CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)on1 ZINC000183152496 495857049 /nfs/dbraw/zinc/85/70/49/495857049.db2.gz OWEHFABONKBUCC-HNNXBMFYSA-N 1 2 359.474 3.332 50 0 FGAALO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc3c(c2)N(C)CCO3)c1C ZINC000175083040 496240238 /nfs/dbraw/zinc/24/02/38/496240238.db2.gz RIUHTVFJNOBYNK-UHFFFAOYSA-N 1 2 370.453 3.200 50 0 FGAALO CN(C)C(=O)c1[nH]nc2c1C[N@H+](Cc1ccc(C3CCCC3)s1)CC2 ZINC000215348051 496979324 /nfs/dbraw/zinc/97/93/24/496979324.db2.gz CGRWCHOTKWEOAX-UHFFFAOYSA-N 1 2 358.511 3.389 50 0 FGAALO CN(C)C(=O)c1[nH]nc2c1C[N@@H+](Cc1ccc(C3CCCC3)s1)CC2 ZINC000215348051 496979326 /nfs/dbraw/zinc/97/93/26/496979326.db2.gz CGRWCHOTKWEOAX-UHFFFAOYSA-N 1 2 358.511 3.389 50 0 FGAALO COc1cc2c(cc1C[NH+]1CCN(Cc3csc(C)n3)CC1)CCC2 ZINC000215193827 496979423 /nfs/dbraw/zinc/97/94/23/496979423.db2.gz 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CSc1ccc(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000009581456 494128417 /nfs/dbraw/zinc/12/84/17/494128417.db2.gz ZKFOVDVOWQZFFE-UHFFFAOYSA-N 1 2 369.490 3.115 50 0 FGAALO CCOC(=O)c1nc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cs1 ZINC000040088518 494130631 /nfs/dbraw/zinc/13/06/31/494130631.db2.gz JXHHHSPOODZZLH-HNNXBMFYSA-N 1 2 374.462 3.428 50 0 FGAALO CCOC(=O)c1nc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cs1 ZINC000040088518 494130634 /nfs/dbraw/zinc/13/06/34/494130634.db2.gz JXHHHSPOODZZLH-HNNXBMFYSA-N 1 2 374.462 3.428 50 0 FGAALO COc1ccc2n[nH]c(C[N@@H+]3CCCN(Cc4ccc(F)cc4)CC3)c2c1 ZINC000072143277 494133254 /nfs/dbraw/zinc/13/32/54/494133254.db2.gz QRSCEWFKIRZOHD-UHFFFAOYSA-N 1 2 368.456 3.419 50 0 FGAALO COc1ccc2n[nH]c(C[N@H+]3CCCN(Cc4ccc(F)cc4)CC3)c2c1 ZINC000072143277 494133256 /nfs/dbraw/zinc/13/32/56/494133256.db2.gz QRSCEWFKIRZOHD-UHFFFAOYSA-N 1 2 368.456 3.419 50 0 FGAALO Fc1cc(F)cc([C@@H]2C[N@H+](Cc3cscn3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072141915 494133368 /nfs/dbraw/zinc/13/33/68/494133368.db2.gz NYDSMRNURNOXLL-IPMKNSEASA-N 1 2 361.461 3.484 50 0 FGAALO Fc1cc(F)cc([C@@H]2C[N@@H+](Cc3cscn3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072141915 494133370 /nfs/dbraw/zinc/13/33/70/494133370.db2.gz NYDSMRNURNOXLL-IPMKNSEASA-N 1 2 361.461 3.484 50 0 FGAALO CCCNc1ncc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cn1 ZINC000072151797 494136191 /nfs/dbraw/zinc/13/61/91/494136191.db2.gz APWGICCIDFTSJP-UHFFFAOYSA-N 1 2 359.905 3.270 50 0 FGAALO CCCNc1ncc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cn1 ZINC000072151797 494136194 /nfs/dbraw/zinc/13/61/94/494136194.db2.gz APWGICCIDFTSJP-UHFFFAOYSA-N 1 2 359.905 3.270 50 0 FGAALO CC[C@@H](C(=O)N1CCCn2c[nH+]cc2C1)n1cc(C(C)=O)c2ccccc21 ZINC000072157910 494137921 /nfs/dbraw/zinc/13/79/21/494137921.db2.gz KDJGGGMPOQRFAD-IBGZPJMESA-N 1 2 364.449 3.424 50 0 FGAALO Cc1cc(C(=O)N2CCCn3c[nH+]cc3C2)c(NC(=O)C(C)(C)C)s1 ZINC000072159369 494138128 /nfs/dbraw/zinc/13/81/28/494138128.db2.gz YJHZMNWVWAFQQZ-UHFFFAOYSA-N 1 2 360.483 3.284 50 0 FGAALO Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000072429975 494172295 /nfs/dbraw/zinc/17/22/95/494172295.db2.gz UKONYLRJXKHNEW-UHFFFAOYSA-N 1 2 373.460 3.304 50 0 FGAALO CC(C)(O)CCc1ccc(CN2CC[NH+](Cc3cccc(O)c3)CC2)cc1 ZINC000072431727 494173549 /nfs/dbraw/zinc/17/35/49/494173549.db2.gz LDYXNWCXUCDPDN-UHFFFAOYSA-N 1 2 368.521 3.414 50 0 FGAALO O=C(c1ccc2cccnc2c1O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000072432333 494174005 /nfs/dbraw/zinc/17/40/05/494174005.db2.gz QHPHMZVTOVWZKY-UHFFFAOYSA-N 1 2 365.408 3.038 50 0 FGAALO CN(CCc1ccccn1)c1[nH+]cccc1CNC(=O)NC1CCCCC1 ZINC000011820553 494192299 /nfs/dbraw/zinc/19/22/99/494192299.db2.gz KHSCZIFCALUXCN-UHFFFAOYSA-N 1 2 367.497 3.287 50 0 FGAALO C[N@@H+](Cc1nc(Cc2ccccc2F)no1)C[C@@H]1Cc2ccccc2O1 ZINC000011958284 494198558 /nfs/dbraw/zinc/19/85/58/494198558.db2.gz HUWXSBCDOWMXSN-INIZCTEOSA-N 1 2 353.397 3.235 50 0 FGAALO C[N@H+](Cc1nc(Cc2ccccc2F)no1)C[C@@H]1Cc2ccccc2O1 ZINC000011958284 494198563 /nfs/dbraw/zinc/19/85/63/494198563.db2.gz HUWXSBCDOWMXSN-INIZCTEOSA-N 1 2 353.397 3.235 50 0 FGAALO CN(CCc1ccccn1)c1[nH+]cccc1CNC(=O)c1cccs1 ZINC000012307495 494221474 /nfs/dbraw/zinc/22/14/74/494221474.db2.gz PNMVOWZTKLGAFY-UHFFFAOYSA-N 1 2 352.463 3.147 50 0 FGAALO CCCCn1c(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)cnc1S(=O)(=O)CC ZINC000012444387 494233749 /nfs/dbraw/zinc/23/37/49/494233749.db2.gz BWGHFVYJCLKAQR-IRXDYDNUSA-N 1 2 367.559 3.489 50 0 FGAALO CCCCn1c(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)cnc1S(=O)(=O)CC ZINC000012444387 494233754 /nfs/dbraw/zinc/23/37/54/494233754.db2.gz BWGHFVYJCLKAQR-IRXDYDNUSA-N 1 2 367.559 3.489 50 0 FGAALO CC(C)[C@@H](CNc1nn2cc(-c3ccccc3)nc2s1)[NH+]1CCOCC1 ZINC000012520471 494236891 /nfs/dbraw/zinc/23/68/91/494236891.db2.gz LCRPZIHIRVTTSL-QGZVFWFLSA-N 1 2 371.510 3.227 50 0 FGAALO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000012973288 494272688 /nfs/dbraw/zinc/27/26/88/494272688.db2.gz MVLWKWXEOKYCLZ-ZDUSSCGKSA-N 1 2 357.479 3.114 50 0 FGAALO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000012973288 494272692 /nfs/dbraw/zinc/27/26/92/494272692.db2.gz MVLWKWXEOKYCLZ-ZDUSSCGKSA-N 1 2 357.479 3.114 50 0 FGAALO O=C(COc1cccc(C(F)(F)F)c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000013324110 494285694 /nfs/dbraw/zinc/28/56/94/494285694.db2.gz PGJUYDGTOXKTAC-UHFFFAOYSA-N 1 2 368.355 3.022 50 0 FGAALO C[C@H](NC(=S)NC1CCCCC1)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000013686084 494293415 /nfs/dbraw/zinc/29/34/15/494293415.db2.gz FAUWWTDVZLACIY-QFBILLFUSA-N 1 2 361.555 3.245 50 0 FGAALO Cc1cc(O[C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)cc(C)c1Cl ZINC000013744703 494294994 /nfs/dbraw/zinc/29/49/94/494294994.db2.gz TUFDIARKCACBDM-MRXNPFEDSA-N 1 2 373.884 3.468 50 0 FGAALO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](C(F)(F)F)C2)n(-c2ccccc2)n1 ZINC000014121722 494304671 /nfs/dbraw/zinc/30/46/71/494304671.db2.gz FWJIPFFPCJRJJT-AWEZNQCLSA-N 1 2 366.387 3.394 50 0 FGAALO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](C(F)(F)F)C2)n(-c2ccccc2)n1 ZINC000014121722 494304677 /nfs/dbraw/zinc/30/46/77/494304677.db2.gz FWJIPFFPCJRJJT-AWEZNQCLSA-N 1 2 366.387 3.394 50 0 FGAALO COc1ccc(C[NH+]2CCN(C(=O)Nc3ccccc3)CC2)cc1OC ZINC000014159539 494306677 /nfs/dbraw/zinc/30/66/77/494306677.db2.gz ULJONFDCXXZHTB-UHFFFAOYSA-N 1 2 355.438 3.054 50 0 FGAALO O=C(C[C@@H](c1ccccc1)c1cccc(Cl)c1)NCC[NH+]1CCOCC1 ZINC000015064835 494336511 /nfs/dbraw/zinc/33/65/11/494336511.db2.gz QUSHGVHDTPMPIW-FQEVSTJZSA-N 1 2 372.896 3.310 50 0 FGAALO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(C(=O)OC)cc1 ZINC000015295953 494345883 /nfs/dbraw/zinc/34/58/83/494345883.db2.gz HKMMFPSPDCYHAP-UHFFFAOYSA-N 1 2 362.376 3.212 50 0 FGAALO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(C(=O)OC)cc1 ZINC000015295953 494345888 /nfs/dbraw/zinc/34/58/88/494345888.db2.gz HKMMFPSPDCYHAP-UHFFFAOYSA-N 1 2 362.376 3.212 50 0 FGAALO Cc1ccnc([C@H](Nc2[nH+]cnc3c2cnn3-c2ccccc2)C2CC2)n1 ZINC000089701893 494346196 /nfs/dbraw/zinc/34/61/96/494346196.db2.gz XNUDIZMFFGGXMN-QGZVFWFLSA-N 1 2 357.421 3.477 50 0 FGAALO CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000016605931 494396601 /nfs/dbraw/zinc/39/66/01/494396601.db2.gz VEGKMCUIKNIGSZ-HXUWFJFHSA-N 1 2 365.477 3.077 50 0 FGAALO COc1cc(OC)cc(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000019595037 494452398 /nfs/dbraw/zinc/45/23/98/494452398.db2.gz SVKXDAWQWWDOJV-UHFFFAOYSA-N 1 2 374.868 3.315 50 0 FGAALO Cc1ccc(-c2csc3ncnc(NCC[NH+]4CCOCC4)c23)cc1 ZINC000019884729 494462701 /nfs/dbraw/zinc/46/27/01/494462701.db2.gz DLWFEKNOTMFPDS-UHFFFAOYSA-N 1 2 354.479 3.411 50 0 FGAALO CCC(=O)N1N=C2[C@H]([C@H]1c1ccc(Br)cc1)[NH+]1CCC2CC1 ZINC000020058945 494466673 /nfs/dbraw/zinc/46/66/73/494466673.db2.gz RBCAUBRLFONCEC-IAGOWNOFSA-N 1 2 362.271 3.193 50 0 FGAALO O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CC[NH+](C2CCCC2)CC1 ZINC000021017054 494484923 /nfs/dbraw/zinc/48/49/23/494484923.db2.gz WTIOPRZSTWDSLG-UHFFFAOYSA-N 1 2 358.873 3.431 50 0 FGAALO CC(=O)Nc1ccc2[nH]c(C)c([C@H](c3ccccn3)[NH+]3CCOCC3)c2c1 ZINC000021805619 494506914 /nfs/dbraw/zinc/50/69/14/494506914.db2.gz LLNAJYTWIHFULQ-NRFANRHFSA-N 1 2 364.449 3.251 50 0 FGAALO O=C(c1cc2ccccc2o1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000021866065 494508451 /nfs/dbraw/zinc/50/84/51/494508451.db2.gz VXEWLVZWESUOHT-UHFFFAOYSA-N 1 2 350.418 3.270 50 0 FGAALO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2ccc3c(c2)OCCO3)c(C)c1 ZINC000023829081 494586560 /nfs/dbraw/zinc/58/65/60/494586560.db2.gz ULQBFTGYNKLBSF-UHFFFAOYSA-N 1 2 354.450 3.454 50 0 FGAALO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2ccc3c(c2)OCCO3)c(C)c1 ZINC000023829081 494586569 /nfs/dbraw/zinc/58/65/69/494586569.db2.gz ULQBFTGYNKLBSF-UHFFFAOYSA-N 1 2 354.450 3.454 50 0 FGAALO COc1cccc([C@@H](NC(=O)c2ccc3c(c2)CCC3)c2[nH+]ccn2C)c1 ZINC000024018901 494597026 /nfs/dbraw/zinc/59/70/26/494597026.db2.gz GZJZBGOERYFACV-HXUWFJFHSA-N 1 2 361.445 3.437 50 0 FGAALO COc1ccc([C@H](NC(=O)c2ccc3[nH+]ccn3c2)c2ccncc2)cc1 ZINC000091476721 494606168 /nfs/dbraw/zinc/60/61/68/494606168.db2.gz YAURQQXMZBAUTD-FQEVSTJZSA-N 1 2 358.401 3.257 50 0 FGAALO COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc2[nH+]ccn2c1 ZINC000091505392 494610190 /nfs/dbraw/zinc/61/01/90/494610190.db2.gz AWRSKVOUYVPBTO-INIZCTEOSA-N 1 2 351.406 3.375 50 0 FGAALO O=C(c1ccsc1)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000091493453 494610878 /nfs/dbraw/zinc/61/08/78/494610878.db2.gz FBMQWKPZIZEVBH-INIZCTEOSA-N 1 2 352.463 3.408 50 0 FGAALO CCOC(=O)c1[nH]c(C[N@@H+]2CCc3ccccc3C2)c(C(=O)OCC)c1C ZINC000024164348 494610965 /nfs/dbraw/zinc/61/09/65/494610965.db2.gz XEAKKURZRZKLLL-UHFFFAOYSA-N 1 2 370.449 3.235 50 0 FGAALO CCOC(=O)c1[nH]c(C[N@H+]2CCc3ccccc3C2)c(C(=O)OCC)c1C ZINC000024164348 494610971 /nfs/dbraw/zinc/61/09/71/494610971.db2.gz XEAKKURZRZKLLL-UHFFFAOYSA-N 1 2 370.449 3.235 50 0 FGAALO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)c2ccc(C)c(C)c2)cc1 ZINC000024209480 494612580 /nfs/dbraw/zinc/61/25/80/494612580.db2.gz FQGSSPTXWRUABJ-NRFANRHFSA-N 1 2 352.478 3.415 50 0 FGAALO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1nc2ccccc2o1 ZINC000024821125 494668337 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FGAALO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)Cc3ccccc3)C2)cc1 ZINC000072135277 494132138 /nfs/dbraw/zinc/13/21/38/494132138.db2.gz LSTSROCQFVTARM-LJQANCHMSA-N 1 2 371.502 3.114 50 0 FGAALO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](C(=O)Cc3ccccc3)C2)cc1 ZINC000072135277 494132144 /nfs/dbraw/zinc/13/21/44/494132144.db2.gz LSTSROCQFVTARM-LJQANCHMSA-N 1 2 371.502 3.114 50 0 FGAALO O=C1CCCN1CC[C@@H]1CCCC[N@@H+]1Cc1noc(-c2ccccc2)n1 ZINC000072143083 494132843 /nfs/dbraw/zinc/13/28/43/494132843.db2.gz MIUGQVYOQCQAFF-KRWDZBQOSA-N 1 2 354.454 3.104 50 0 FGAALO O=C1CCCN1CC[C@@H]1CCCC[N@H+]1Cc1noc(-c2ccccc2)n1 ZINC000072143083 494132847 /nfs/dbraw/zinc/13/28/47/494132847.db2.gz MIUGQVYOQCQAFF-KRWDZBQOSA-N 1 2 354.454 3.104 50 0 FGAALO Cc1cccc(OCC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)c1 ZINC000040122065 494135027 /nfs/dbraw/zinc/13/50/27/494135027.db2.gz QYIJKSQTFMGMCC-UHFFFAOYSA-N 1 2 353.466 3.466 50 0 FGAALO Cc1cc2nc(C[N@@H+]3CCC[C@H]3c3nc4ccccc4s3)cc(=O)n2[nH]1 ZINC000072150211 494135833 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50 0 FGAALO Cc1[nH+]ccn1CCCC(=O)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 ZINC000072463189 494177052 /nfs/dbraw/zinc/17/70/52/494177052.db2.gz GWGGGEPWYFHZSX-KRWDZBQOSA-N 1 2 355.417 3.351 50 0 FGAALO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(CCC(C)(C)O)c1 ZINC000072476928 494181576 /nfs/dbraw/zinc/18/15/76/494181576.db2.gz WNJOBWULHNDAJA-SFHVURJKSA-N 1 2 357.498 3.431 50 0 FGAALO COc1ccc(OC)c2nc(-c3cccc(C)c3)c(C[NH+]3CC(O)C3)cc12 ZINC000072480919 494182235 /nfs/dbraw/zinc/18/22/35/494182235.db2.gz MAIHOWUROKVBSQ-UHFFFAOYSA-N 1 2 364.445 3.404 50 0 FGAALO CC(C)CS(=O)(=O)c1ncc(C[N@H+](C)C(C)C)n1Cc1ccccc1 ZINC000012306067 494221604 /nfs/dbraw/zinc/22/16/04/494221604.db2.gz KPQPVXCQAXXGRI-UHFFFAOYSA-N 1 2 363.527 3.201 50 0 FGAALO CC(C)CS(=O)(=O)c1ncc(C[N@@H+](C)C(C)C)n1Cc1ccccc1 ZINC000012306067 494221607 /nfs/dbraw/zinc/22/16/07/494221607.db2.gz KPQPVXCQAXXGRI-UHFFFAOYSA-N 1 2 363.527 3.201 50 0 FGAALO O=C(NCCCn1cc[nH+]c1)c1ccc2nc(-n3cccc3)sc2c1 ZINC000012323795 494224554 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CC12CN3CC(C)(C[NH+](C1)C3(C)CSc1c[nH]c3ccccc13)C2=O ZINC000019287867 494439996 /nfs/dbraw/zinc/43/99/96/494439996.db2.gz USUPJOHYMNJCMY-UHFFFAOYSA-N 1 2 355.507 3.203 50 0 FGAALO O=C(Nc1ccccc1OC1CCCC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000090131591 494445309 /nfs/dbraw/zinc/44/53/09/494445309.db2.gz IXMLWBIITOCKCN-KRWDZBQOSA-N 1 2 373.497 3.337 50 0 FGAALO COc1ccc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1Cl ZINC000019809996 494461748 /nfs/dbraw/zinc/46/17/48/494461748.db2.gz URUFXYOWLQLVRZ-UHFFFAOYSA-N 1 2 360.841 3.433 50 0 FGAALO C[C@@H]1C[N@H+](CCNC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)C[C@H](C)O1 ZINC000022611904 494529045 /nfs/dbraw/zinc/52/90/45/494529045.db2.gz CZDFXJZDBCXUNF-HRCADAONSA-N 1 2 369.509 3.132 50 0 FGAALO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)C[C@H](C)O1 ZINC000022611904 494529049 /nfs/dbraw/zinc/52/90/49/494529049.db2.gz CZDFXJZDBCXUNF-HRCADAONSA-N 1 2 369.509 3.132 50 0 FGAALO O=C(c1cccc(-n2cccc2)c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000023736602 494578554 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CC[C@](C)(CNc1nn2cc(C(C)(C)C)nc2s1)[NH+]1CCOCC1 ZINC000029620373 493847473 /nfs/dbraw/zinc/84/74/73/493847473.db2.gz NRTCLKUNXBDZSC-QGZVFWFLSA-N 1 2 351.520 3.001 50 0 FGAALO Cc1cc(N2CCN([C@@H](C)c3nc(C(C)(C)C)no3)CC2)nc(C(C)C)[nH+]1 ZINC000029965240 493870833 /nfs/dbraw/zinc/87/08/33/493870833.db2.gz XXBNQRCVFRIADT-HNNXBMFYSA-N 1 2 372.517 3.472 50 0 FGAALO CC[N@@H+](Cc1nnc(-c2ccccc2)o1)C[C@H]1COc2ccccc2O1 ZINC000031173586 493930228 /nfs/dbraw/zinc/93/02/28/493930228.db2.gz KJVVWWHJNMMXAP-INIZCTEOSA-N 1 2 351.406 3.399 50 0 FGAALO CC[N@H+](Cc1nnc(-c2ccccc2)o1)C[C@H]1COc2ccccc2O1 ZINC000031173586 493930230 /nfs/dbraw/zinc/93/02/30/493930230.db2.gz KJVVWWHJNMMXAP-INIZCTEOSA-N 1 2 351.406 3.399 50 0 FGAALO COc1ccc(Cl)cc1NC(=S)N1CCN(c2cccc[nH+]2)CC1 ZINC000006672591 493974153 /nfs/dbraw/zinc/97/41/53/493974153.db2.gz MOBGNTAHTMVGRR-UHFFFAOYSA-N 1 2 362.886 3.263 50 0 FGAALO COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000032744664 494011645 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O=C(C[N@H+]1CCc2sccc2[C@H]1C1CC1)N1CC(=O)Nc2ccccc21 ZINC000007880074 494049232 /nfs/dbraw/zinc/04/92/32/494049232.db2.gz DTNVOVCPONNEOX-HXUWFJFHSA-N 1 2 367.474 3.043 50 0 FGAALO CN(Cc1cc(-c2ccncc2)no1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000077343278 494061545 /nfs/dbraw/zinc/06/15/45/494061545.db2.gz VBZCVBANSGHSJZ-UHFFFAOYSA-N 1 2 359.389 3.195 50 0 FGAALO O=C(NC1CC1)[C@@H](c1ccccc1)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000035307973 494074041 /nfs/dbraw/zinc/07/40/41/494074041.db2.gz LMTODXFPODCAAT-HXUWFJFHSA-N 1 2 369.896 3.482 50 0 FGAALO O=C1NC2(CC[NH+](Cc3ccc(F)cc3Cl)CC2)N=C1c1ccccc1 ZINC000035430970 494077432 /nfs/dbraw/zinc/07/74/32/494077432.db2.gz PEDOFLDTVFEDKP-UHFFFAOYSA-N 1 2 371.843 3.390 50 0 FGAALO CC[C@@H](Cn1cc[nH+]c1)NC(=O)c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000071730211 494095745 /nfs/dbraw/zinc/09/57/45/494095745.db2.gz SBNCFPNKCFPTKM-INIZCTEOSA-N 1 2 355.417 3.033 50 0 FGAALO O=C(c1cc(-c2ccccc2O)n[nH]1)N1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000077505855 494099795 /nfs/dbraw/zinc/09/97/95/494099795.db2.gz WHXRWLVIZXASCT-OAHLLOKOSA-N 1 2 365.437 3.064 50 0 FGAALO CC(C)c1noc(C[NH+]2CCC3(C[C@H]3c3nnc4n3CCCCC4)CC2)n1 ZINC000071890609 494107276 /nfs/dbraw/zinc/10/72/76/494107276.db2.gz PJLUIPJTRXVXSM-HNNXBMFYSA-N 1 2 370.501 3.281 50 0 FGAALO COc1ccc(CC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)cc1 ZINC000009201365 494118323 /nfs/dbraw/zinc/11/83/23/494118323.db2.gz VOYHGNYVQJWMMM-IBGZPJMESA-N 1 2 353.397 3.016 50 0 FGAALO Cc1nn2c(nc(C[N@@H+]3CCC[C@H](CCc4ccccc4C)C3)cc2=O)[nH]1 ZINC000072127326 494129123 /nfs/dbraw/zinc/12/91/23/494129123.db2.gz MXOAXDQDMJNKGM-QGZVFWFLSA-N 1 2 365.481 3.292 50 0 FGAALO Cc1nn2c(nc(C[N@H+]3CCC[C@H](CCc4ccccc4C)C3)cc2=O)[nH]1 ZINC000072127326 494129127 /nfs/dbraw/zinc/12/91/27/494129127.db2.gz MXOAXDQDMJNKGM-QGZVFWFLSA-N 1 2 365.481 3.292 50 0 FGAALO CC(C)[C@H](NC(=O)COc1cccc(Br)c1)c1[nH+]ccn1C ZINC000040139178 494135638 /nfs/dbraw/zinc/13/56/38/494135638.db2.gz GUCIZSHSESRVDM-HNNXBMFYSA-N 1 2 366.259 3.075 50 0 FGAALO Fc1cccc(C[NH+]2CCN(Cc3ccnn3-c3ccccc3)CC2)c1 ZINC000072151144 494135943 /nfs/dbraw/zinc/13/59/43/494135943.db2.gz DHDZVLKUZIXDLR-UHFFFAOYSA-N 1 2 350.441 3.329 50 0 FGAALO Fc1cccc(CN2CC[NH+](Cc3ccnn3-c3ccccc3)CC2)c1 ZINC000072151144 494135945 /nfs/dbraw/zinc/13/59/45/494135945.db2.gz DHDZVLKUZIXDLR-UHFFFAOYSA-N 1 2 350.441 3.329 50 0 FGAALO CCc1nn(C)c(Cl)c1CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000072154909 494136743 /nfs/dbraw/zinc/13/67/43/494136743.db2.gz BRVSPMRWQWQVMJ-UHFFFAOYSA-N 1 2 350.869 3.093 50 0 FGAALO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000040145710 494136820 /nfs/dbraw/zinc/13/68/20/494136820.db2.gz PRCYMSYECFFXQL-KRWDZBQOSA-N 1 2 369.469 3.246 50 0 FGAALO CC(=O)c1ccc(C(=O)N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)s1 ZINC000072166875 494141882 /nfs/dbraw/zinc/14/18/82/494141882.db2.gz BVQHSEQMBWZWKU-GOSISDBHSA-N 1 2 368.502 3.266 50 0 FGAALO C[C@H]1C[NH+]=C(N2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)S1 ZINC000072306095 494149963 /nfs/dbraw/zinc/14/99/63/494149963.db2.gz AKGGYVFXGHOURW-NSHDSACASA-N 1 2 372.416 3.346 50 0 FGAALO O=c1cc2c(nn1C[NH+]1CCC(Cc3ccccc3)CC1)CCCCC2 ZINC000072405239 494164440 /nfs/dbraw/zinc/16/44/40/494164440.db2.gz GNWOQHVBMJFDLB-UHFFFAOYSA-N 1 2 351.494 3.424 50 0 FGAALO Cc1ccc([C@@H](Cn2ccnc2-c2cccc(O)c2)[NH+]2CCOCC2)o1 ZINC000072476151 494179865 /nfs/dbraw/zinc/17/98/65/494179865.db2.gz WTSXLEXADLUGNK-GOSISDBHSA-N 1 2 353.422 3.231 50 0 FGAALO COc1ccc([C@@H](NC(=O)CCc2ccsc2)c2[nH+]ccn2C)cc1 ZINC000012506591 494235616 /nfs/dbraw/zinc/23/56/16/494235616.db2.gz KLEYVSVFJAAULT-GOSISDBHSA-N 1 2 355.463 3.329 50 0 FGAALO CC(=O)Nc1ccc(CC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000012529487 494238348 /nfs/dbraw/zinc/23/83/48/494238348.db2.gz WFQKZHZOOGQRKO-HNNXBMFYSA-N 1 2 362.433 3.251 50 0 FGAALO CC(=O)Nc1ccc(CC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000012529485 494238391 /nfs/dbraw/zinc/23/83/91/494238391.db2.gz WFQKZHZOOGQRKO-OAHLLOKOSA-N 1 2 362.433 3.251 50 0 FGAALO Cc1ccc(NC(=O)Cn2c3ccccc3[nH+]c2NC[C@H](C)O)cc1Cl ZINC000012525570 494238486 /nfs/dbraw/zinc/23/84/86/494238486.db2.gz ABULSQJTYNEFKF-ZDUSSCGKSA-N 1 2 372.856 3.430 50 0 FGAALO Cc1ccc(OCC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)cc1 ZINC000012601707 494246639 /nfs/dbraw/zinc/24/66/39/494246639.db2.gz CKWGCDYFRNCQSB-LJQANCHMSA-N 1 2 353.397 3.152 50 0 FGAALO Cc1cc(=O)n2nc(C[NH2+][C@H](c3cccs3)c3ccccc3)sc2n1 ZINC000012785875 494258781 /nfs/dbraw/zinc/25/87/81/494258781.db2.gz DEKCRYIJDHKJMG-KRWDZBQOSA-N 1 2 368.487 3.400 50 0 FGAALO C[N@H+](CC(=O)Nc1cccc(Cl)c1)Cc1ccccc1N1CCOCC1 ZINC000012798572 494259746 /nfs/dbraw/zinc/25/97/46/494259746.db2.gz DTNMOWKXWOWGEF-UHFFFAOYSA-N 1 2 373.884 3.247 50 0 FGAALO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)Cc1ccccc1N1CCOCC1 ZINC000012798572 494259749 /nfs/dbraw/zinc/25/97/49/494259749.db2.gz DTNMOWKXWOWGEF-UHFFFAOYSA-N 1 2 373.884 3.247 50 0 FGAALO Cc1ccc(C[NH+]2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 ZINC000012846457 494264838 /nfs/dbraw/zinc/26/48/38/494264838.db2.gz QWDOISMOZFYERB-UHFFFAOYSA-N 1 2 372.534 3.427 50 0 FGAALO CCOc1ccc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccc(C)cc2)cc1 ZINC000012942784 494271686 /nfs/dbraw/zinc/27/16/86/494271686.db2.gz LQIDPFUZVFRRNS-NRFANRHFSA-N 1 2 368.477 3.197 50 0 FGAALO C[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000012975288 494273025 /nfs/dbraw/zinc/27/30/25/494273025.db2.gz SIELQCNGKTZYMS-BUXKBTBVSA-N 1 2 356.397 3.225 50 0 FGAALO CC[C@@]1(c2ccccc2)NC(=O)N(Cc2cn3cc(Cl)ccc3[nH+]2)C1=O ZINC000013040404 494276709 /nfs/dbraw/zinc/27/67/09/494276709.db2.gz JEZRGSCGBAHIQV-IBGZPJMESA-N 1 2 368.824 3.345 50 0 FGAALO COc1ccc(C(=O)C2CC[NH+](Cc3nnc(-c4ccco4)o3)CC2)cc1 ZINC000014110459 494303860 /nfs/dbraw/zinc/30/38/60/494303860.db2.gz SUAZTLNOKGFNTN-UHFFFAOYSA-N 1 2 367.405 3.433 50 0 FGAALO CCOC(=O)c1c(NC(=O)C[NH+]2CCCC2)sc2c1CCCCC2 ZINC000014193487 494309794 /nfs/dbraw/zinc/30/97/94/494309794.db2.gz MFOMOSZQRDUBFU-UHFFFAOYSA-N 1 2 350.484 3.228 50 0 FGAALO CC(C)(C)c1nc(NC[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc[nH+]1 ZINC000079061674 494398423 /nfs/dbraw/zinc/39/84/23/494398423.db2.gz YBTUNTDYDYQXPJ-KRWDZBQOSA-N 1 2 352.482 3.277 50 0 FGAALO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000089913790 494400130 /nfs/dbraw/zinc/40/01/30/494400130.db2.gz IWRLLPGNSHXYFX-CYBMUJFWSA-N 1 2 362.499 3.440 50 0 FGAALO C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000089913790 494400136 /nfs/dbraw/zinc/40/01/36/494400136.db2.gz IWRLLPGNSHXYFX-CYBMUJFWSA-N 1 2 362.499 3.440 50 0 FGAALO CCCC12CN3CC(C)(C[N@H+](C1)C3c1c(C)n(C)c3ccccc31)C2=O ZINC000019320249 494442340 /nfs/dbraw/zinc/44/23/40/494442340.db2.gz QQWUHXXOTKQMEL-UHFFFAOYSA-N 1 2 351.494 3.492 50 0 FGAALO CCCC12CN3CC(C)(C[N@@H+](C1)C3c1c(C)n(C)c3ccccc31)C2=O ZINC000019320249 494442346 /nfs/dbraw/zinc/44/23/46/494442346.db2.gz QQWUHXXOTKQMEL-UHFFFAOYSA-N 1 2 351.494 3.492 50 0 FGAALO O=C(Nc1ccc(Cl)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019335498 494442523 /nfs/dbraw/zinc/44/25/23/494442523.db2.gz HGGVHRXZIGTSIF-UHFFFAOYSA-N 1 2 373.840 3.418 50 0 FGAALO O=C(c1cc2ccccc2oc1=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019707690 494456672 /nfs/dbraw/zinc/45/66/72/494456672.db2.gz POHAAYJJEFJCRO-RMKNXTFCSA-N 1 2 374.440 3.264 50 0 FGAALO CCC(=O)N1N=C2[C@H]([C@@H]1c1ccc(Br)cc1)[NH+]1CCC2CC1 ZINC000020058940 494466611 /nfs/dbraw/zinc/46/66/11/494466611.db2.gz RBCAUBRLFONCEC-DLBZAZTESA-N 1 2 362.271 3.193 50 0 FGAALO O=C(CN1CC[NH+](Cc2ccco2)CC1)Nc1cccc(Cl)c1Cl ZINC000020429006 494473615 /nfs/dbraw/zinc/47/36/15/494473615.db2.gz HBXPTMFFTFBOBO-UHFFFAOYSA-N 1 2 368.264 3.343 50 0 FGAALO O=S(=O)(c1cccs1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000020533986 494475946 /nfs/dbraw/zinc/47/59/46/494475946.db2.gz BQBMLJWURNAWEB-UHFFFAOYSA-N 1 2 372.515 3.408 50 0 FGAALO Fc1ccc(C[N@H+]2CCc3nnc(CCc4ccccc4)n3CC2)c(F)c1 ZINC000020598523 494476628 /nfs/dbraw/zinc/47/66/28/494476628.db2.gz QQMVITQPWLTVGS-UHFFFAOYSA-N 1 2 368.431 3.400 50 0 FGAALO Fc1ccc(C[N@@H+]2CCc3nnc(CCc4ccccc4)n3CC2)c(F)c1 ZINC000020598523 494476634 /nfs/dbraw/zinc/47/66/34/494476634.db2.gz QQMVITQPWLTVGS-UHFFFAOYSA-N 1 2 368.431 3.400 50 0 FGAALO COc1ccc(C(=O)c2c[nH+]c3ccc(F)cc3c2N2CCOCC2)cc1 ZINC000021158422 494489632 /nfs/dbraw/zinc/48/96/32/494489632.db2.gz ARMNJTIPOBFNQT-UHFFFAOYSA-N 1 2 366.392 3.450 50 0 FGAALO O=C(CN1CC[NH+](Cc2ccsc2)CC1)Nc1ccc(F)cc1Cl ZINC000023249062 494558244 /nfs/dbraw/zinc/55/82/44/494558244.db2.gz IHCZVOPMZXFBDN-UHFFFAOYSA-N 1 2 367.877 3.297 50 0 FGAALO CC(C)C[C@@H]1NC(=O)N(C[N@H+](C)Cc2ccccc2N2CCCCC2)C1=O ZINC000023642248 494574105 /nfs/dbraw/zinc/57/41/05/494574105.db2.gz GPONXNGVMRUZCX-SFHVURJKSA-N 1 2 372.513 3.033 50 0 FGAALO CC(C)C[C@@H]1NC(=O)N(C[N@@H+](C)Cc2ccccc2N2CCCCC2)C1=O ZINC000023642248 494574110 /nfs/dbraw/zinc/57/41/10/494574110.db2.gz GPONXNGVMRUZCX-SFHVURJKSA-N 1 2 372.513 3.033 50 0 FGAALO O=C(NCc1cn2ccccc2[nH+]1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000023754561 494579433 /nfs/dbraw/zinc/57/94/33/494579433.db2.gz KVCYAEOMHKHTBU-UHFFFAOYSA-N 1 2 351.797 3.308 50 0 FGAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc2c(c1)OCCCO2)c1ccccc1 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C[C@@H]1CCc2[nH]c3ccc(C(=O)NCC(C)(C)[NH+]4CCOCC4)cc3c2C1 ZINC000014181311 494308160 /nfs/dbraw/zinc/30/81/60/494308160.db2.gz DBSDAMKFHFSFIA-OAHLLOKOSA-N 1 2 369.509 3.133 50 0 FGAALO CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2CC)c1 ZINC000015547537 494358744 /nfs/dbraw/zinc/35/87/44/494358744.db2.gz XHMRIDSAINCOKX-QGZVFWFLSA-N 1 2 371.506 3.446 50 0 FGAALO CCNC(=O)c1cccc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2CC)c1 ZINC000015547537 494358751 /nfs/dbraw/zinc/35/87/51/494358751.db2.gz XHMRIDSAINCOKX-QGZVFWFLSA-N 1 2 371.506 3.446 50 0 FGAALO CC(C)c1ccc([C@H](NC(=O)C[N@H+](C)CC(=O)N2CCCC2)C(C)C)cc1 ZINC000016432988 494389396 /nfs/dbraw/zinc/38/93/96/494389396.db2.gz VALBXPUERORZEA-JOCHJYFZSA-N 1 2 373.541 3.178 50 0 FGAALO CC(C)c1ccc([C@H](NC(=O)C[N@@H+](C)CC(=O)N2CCCC2)C(C)C)cc1 ZINC000016432988 494389402 /nfs/dbraw/zinc/38/94/02/494389402.db2.gz VALBXPUERORZEA-JOCHJYFZSA-N 1 2 373.541 3.178 50 0 FGAALO COc1ccc([C@H](NC(=O)c2cccc(N(C)C)c2)c2[nH+]ccn2C)cc1 ZINC000016472779 494390853 /nfs/dbraw/zinc/39/08/53/494390853.db2.gz IMUWNDSFWXLZHP-IBGZPJMESA-N 1 2 364.449 3.014 50 0 FGAALO CCCc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000017076360 494408063 /nfs/dbraw/zinc/40/80/63/494408063.db2.gz QKRFLMPMKBADKP-UHFFFAOYSA-N 1 2 372.534 3.454 50 0 FGAALO C[C@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)c(F)c1 ZINC000018086681 494424150 /nfs/dbraw/zinc/42/41/50/494424150.db2.gz IVQXMSGFSIDUAA-AWEZNQCLSA-N 1 2 360.404 3.288 50 0 FGAALO CN(c1[nH+]cccc1CNC(=O)CCc1cccnc1)C1CCCCC1 ZINC000019145595 494437004 /nfs/dbraw/zinc/43/70/04/494437004.db2.gz XBKGWROEYLSUTO-UHFFFAOYSA-N 1 2 352.482 3.495 50 0 FGAALO COc1cc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cc(OC)c1OC ZINC000019360172 494443674 /nfs/dbraw/zinc/44/36/74/494443674.db2.gz DMHBESSGARBFEJ-UHFFFAOYSA-N 1 2 374.456 3.169 50 0 FGAALO COc1cc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc(OC)c1OC ZINC000019360172 494443676 /nfs/dbraw/zinc/44/36/76/494443676.db2.gz DMHBESSGARBFEJ-UHFFFAOYSA-N 1 2 374.456 3.169 50 0 FGAALO C[N@@H+]1CCc2nc3sc(C(=O)Nc4c(F)cccc4F)c(N)c3cc2C1 ZINC000019853426 494462985 /nfs/dbraw/zinc/46/29/85/494462985.db2.gz FBNRFNSBXBTAPT-UHFFFAOYSA-N 1 2 374.416 3.397 50 0 aggregator FGAALO C[N@H+]1CCc2nc3sc(C(=O)Nc4c(F)cccc4F)c(N)c3cc2C1 ZINC000019853426 494462989 /nfs/dbraw/zinc/46/29/89/494462989.db2.gz FBNRFNSBXBTAPT-UHFFFAOYSA-N 1 2 374.416 3.397 50 0 aggregator FGAALO O=C1C[C@H]([NH+]2CCCCC2)C(=O)N1c1cc(C(F)(F)F)ccc1Cl ZINC000020513092 494476032 /nfs/dbraw/zinc/47/60/32/494476032.db2.gz RFPOQRRGUITWLM-ZDUSSCGKSA-N 1 2 360.763 3.477 50 0 FGAALO O=C(c1cccc2c1SCCC2=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021102933 494488895 /nfs/dbraw/zinc/48/88/95/494488895.db2.gz CCNOSXXSOKIBEN-UHFFFAOYSA-N 1 2 366.486 3.323 50 0 FGAALO CNC(=O)C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2F)CC1 ZINC000021162435 494489335 /nfs/dbraw/zinc/48/93/35/494489335.db2.gz BBBAREUEYJBKEU-UHFFFAOYSA-N 1 2 366.440 3.186 50 0 FGAALO Cc1ccccc1-c1noc2ncnc(N3CCN(c4cccc[nH+]4)CC3)c12 ZINC000021714686 494504430 /nfs/dbraw/zinc/50/44/30/494504430.db2.gz RXHRZTYXGZANNS-UHFFFAOYSA-N 1 2 372.432 3.315 50 0 FGAALO CN1CC[NH+](Cc2ccc(C(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000022027899 494513734 /nfs/dbraw/zinc/51/37/34/494513734.db2.gz AHRXUUDKCQDICA-UHFFFAOYSA-N 1 2 373.294 3.428 50 0 FGAALO Cc1cc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Br)s2)on1 ZINC000022911283 494541130 /nfs/dbraw/zinc/54/11/30/494541130.db2.gz OWVIZCKMMTTYAP-SECBINFHSA-N 1 2 358.261 3.266 50 0 FGAALO Cc1cc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Br)s2)on1 ZINC000022911283 494541134 /nfs/dbraw/zinc/54/11/34/494541134.db2.gz OWVIZCKMMTTYAP-SECBINFHSA-N 1 2 358.261 3.266 50 0 FGAALO OCC[C@H]1CN(Cc2ccc(F)c(F)c2)CC[N@@H+]1Cc1ccccc1F ZINC000023374871 494563272 /nfs/dbraw/zinc/56/32/72/494563272.db2.gz USDAEZUHFRFHPW-KRWDZBQOSA-N 1 2 364.411 3.173 50 0 FGAALO OCC[C@H]1CN(Cc2ccc(F)c(F)c2)CC[N@H+]1Cc1ccccc1F ZINC000023374871 494563276 /nfs/dbraw/zinc/56/32/76/494563276.db2.gz USDAEZUHFRFHPW-KRWDZBQOSA-N 1 2 364.411 3.173 50 0 FGAALO O=C(NCc1cn2ccccc2[nH+]1)c1ccc(COCC(F)(F)F)cc1 ZINC000023754539 494580209 /nfs/dbraw/zinc/58/02/09/494580209.db2.gz FADXRKUWHAGESL-UHFFFAOYSA-N 1 2 363.339 3.343 50 0 FGAALO O=C(/C=C/c1ccc(F)c(Cl)c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000023911088 494589499 /nfs/dbraw/zinc/58/94/99/494589499.db2.gz DWJWPUAYDJPBBE-DUXPYHPUSA-N 1 2 359.832 3.232 50 0 FGAALO CC(C)Cc1cc(C(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)on1 ZINC000091468934 494604602 /nfs/dbraw/zinc/60/46/02/494604602.db2.gz UURBSLXMGPWKDO-UHFFFAOYSA-N 1 2 352.438 3.390 50 0 FGAALO COc1ccc(CNC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000025113652 494701476 /nfs/dbraw/zinc/70/14/76/494701476.db2.gz QGNULPBLGHRXIR-OAHLLOKOSA-N 1 2 350.422 3.441 50 0 FGAALO COc1ccc(-c2cc(C(=O)N3CC[NH+](CC4CCCC4)CC3)n[nH]2)cc1 ZINC000092022166 494758007 /nfs/dbraw/zinc/75/80/07/494758007.db2.gz ZLHRCZIERUJSDG-UHFFFAOYSA-N 1 2 368.481 3.033 50 0 FGAALO C[C@H](Sc1[nH+]cc2ccccn21)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000025754606 494775831 /nfs/dbraw/zinc/77/58/31/494775831.db2.gz ZGOPLVULMXVYBL-NSHDSACASA-N 1 2 353.403 3.029 50 0 FGAALO COc1cccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CC3CCC3)C2)c1O ZINC000095376944 494968500 /nfs/dbraw/zinc/96/85/00/494968500.db2.gz MUXNZJSSOPSVGO-MRXNPFEDSA-N 1 2 369.465 3.417 50 0 FGAALO O=C(Cn1cc[nH+]c1-c1ccccc1)NC[C@@H]1CCOc2ccccc2C1 ZINC000095374983 494969169 /nfs/dbraw/zinc/96/91/69/494969169.db2.gz FFCPIRMJKFEJIC-QGZVFWFLSA-N 1 2 361.445 3.308 50 0 FGAALO CC(C)n1cc[nH+]c1[C@H]1CCCN(C(=O)c2scc3c2OCCO3)C1 ZINC000095381203 494970880 /nfs/dbraw/zinc/97/08/80/494970880.db2.gz RFJGVWNHEGMRHP-ZDUSSCGKSA-N 1 2 361.467 3.317 50 0 FGAALO O=C(c1ccn(C(F)F)n1)N1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095382011 494970944 /nfs/dbraw/zinc/97/09/44/494970944.db2.gz RWKOJPFDYXFHJH-AWEZNQCLSA-N 1 2 363.412 3.295 50 0 FGAALO O=C(c1cnccn1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2c(F)cccc2Cl)C1 ZINC000095385049 494972266 /nfs/dbraw/zinc/97/22/66/494972266.db2.gz DULLEDOVHVZJBR-ZIAGYGMSSA-N 1 2 374.847 3.006 50 0 FGAALO O=C(c1cnccn1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2c(F)cccc2Cl)C1 ZINC000095385049 494972270 /nfs/dbraw/zinc/97/22/70/494972270.db2.gz DULLEDOVHVZJBR-ZIAGYGMSSA-N 1 2 374.847 3.006 50 0 FGAALO COc1nc2c(cc1C(=O)N1CCC[C@H](c3[nH+]ccn3C(C)C)C1)CCC2 ZINC000095388585 494973037 /nfs/dbraw/zinc/97/30/37/494973037.db2.gz SDUGFZFZBFOVKG-INIZCTEOSA-N 1 2 368.481 3.376 50 0 FGAALO CCSCCC(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095506268 494982193 /nfs/dbraw/zinc/98/21/93/494982193.db2.gz YGFGEWHQMJSAPG-CQSZACIVSA-N 1 2 364.540 3.237 50 0 FGAALO CC(C)n1cc[nH+]c1[C@@H]1CCCN(C(=O)Cc2cn3ccsc3n2)C1 ZINC000095527548 494986964 /nfs/dbraw/zinc/98/69/64/494986964.db2.gz GSMIDXYITAXJMY-CQSZACIVSA-N 1 2 357.483 3.122 50 0 FGAALO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](Cc3ncon3)C2)c(C)c1 ZINC000095526898 494987081 /nfs/dbraw/zinc/98/70/81/494987081.db2.gz OURCFHQETQCTEO-OAHLLOKOSA-N 1 2 358.442 3.018 50 0 FGAALO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3ncon3)C2)c(C)c1 ZINC000095526898 494987087 /nfs/dbraw/zinc/98/70/87/494987087.db2.gz OURCFHQETQCTEO-OAHLLOKOSA-N 1 2 358.442 3.018 50 0 FGAALO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)/C=C\c1ccccc1)c1ccc(F)cc1 ZINC000096920961 495015302 /nfs/dbraw/zinc/01/53/02/495015302.db2.gz QKRXEMFRMMXOTI-RMHQSFGDSA-N 1 2 371.437 3.239 50 0 FGAALO COc1ccc(C)cc1C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096891747 495015361 /nfs/dbraw/zinc/01/53/61/495015361.db2.gz QWAFSJKPEREUSQ-TWGQIWQCSA-N 1 2 350.462 3.475 50 0 FGAALO Cn1cc[nH+]c1[C@@H](NC(=O)/C=C\c1nc2ccccc2o1)c1ccccc1 ZINC000096926427 495015457 /nfs/dbraw/zinc/01/54/57/495015457.db2.gz FMAHFWRXEWJQEB-DUQGCJEPSA-N 1 2 358.401 3.480 50 0 FGAALO Cc1cc2[nH]c(CCNC(=O)[C@H]3CCOc4ccccc4C3)[nH+]c2cc1C ZINC000097632106 495039495 /nfs/dbraw/zinc/03/94/95/495039495.db2.gz ZAWNZICOGJLHKL-KRWDZBQOSA-N 1 2 363.461 3.480 50 0 FGAALO O=C(CCc1cn2ccccc2[nH+]1)N1CCC([C@@H](O)c2cccs2)CC1 ZINC000097694905 495041732 /nfs/dbraw/zinc/04/17/32/495041732.db2.gz SLQCKZKNLJDKBK-HXUWFJFHSA-N 1 2 369.490 3.301 50 0 FGAALO COc1ccc([C@H](C)NC(=O)CCc2cn3ccccc3[nH+]2)cc1OC ZINC000097711704 495043668 /nfs/dbraw/zinc/04/36/68/495043668.db2.gz BZGPIPNFQUAOMV-AWEZNQCLSA-N 1 2 353.422 3.162 50 0 FGAALO Cc1[nH]c2ccc(-n3ncc(C(=O)c4cc5ccccc5[nH]4)c3N)cc2[nH+]1 ZINC000098209140 495062781 /nfs/dbraw/zinc/06/27/81/495062781.db2.gz BEMNJULZEQTDJY-UHFFFAOYSA-N 1 2 356.389 3.352 50 0 in-vitro FGAALO Cc1[nH]c2cc(-n3ncc(C(=O)c4cc5ccccc5[nH]4)c3N)ccc2[nH+]1 ZINC000098209140 495062784 /nfs/dbraw/zinc/06/27/84/495062784.db2.gz BEMNJULZEQTDJY-UHFFFAOYSA-N 1 2 356.389 3.352 50 0 in-vitro FGAALO CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)CC1=CSC2=[NH+]CCCN12 ZINC000102714892 495155528 /nfs/dbraw/zinc/15/55/28/495155528.db2.gz IRUFVIKIALRTIH-MRXNPFEDSA-N 1 2 370.522 3.011 50 0 FGAALO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cccc4cn[nH]c43)CC2)c1 ZINC000171588441 495938444 /nfs/dbraw/zinc/93/84/44/495938444.db2.gz MKFFYQSEVQVPOJ-OAHLLOKOSA-N 1 2 364.449 3.091 50 0 FGAALO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cccc4c[nH]nc43)CC2)c1 ZINC000171588441 495938453 /nfs/dbraw/zinc/93/84/53/495938453.db2.gz MKFFYQSEVQVPOJ-OAHLLOKOSA-N 1 2 364.449 3.091 50 0 FGAALO O=C(Nc1ccc(OC2CCCC2)cc1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000153625915 496523260 /nfs/dbraw/zinc/52/32/60/496523260.db2.gz WLTOHMAPEDDOIY-SFHVURJKSA-N 1 2 373.497 3.337 50 0 FGAALO COc1ccc2[nH]c(CCN(C)C(=O)c3cccnc3SC)[nH+]c2c1 ZINC000221423942 497020001 /nfs/dbraw/zinc/02/00/01/497020001.db2.gz WYCJDNOMCNUCIF-UHFFFAOYSA-N 1 2 356.451 3.003 50 0 FGAALO COC[C@@H](c1ccccn1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1F ZINC000252492012 497305753 /nfs/dbraw/zinc/30/57/53/497305753.db2.gz MAZPFEQBHFBXNV-INIZCTEOSA-N 1 2 351.809 3.132 50 0 FGAALO COC[C@@H](c1ccccn1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1F ZINC000252492012 497305756 /nfs/dbraw/zinc/30/57/56/497305756.db2.gz MAZPFEQBHFBXNV-INIZCTEOSA-N 1 2 351.809 3.132 50 0 FGAALO C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1c1ccnn1C)c1ccccc1Cl ZINC000252536419 497310666 /nfs/dbraw/zinc/31/06/66/497310666.db2.gz IMZVZPPKXHYMMZ-KBXCAEBGSA-N 1 2 360.889 3.478 50 0 FGAALO C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1c1ccnn1C)c1ccccc1Cl ZINC000252536419 497310670 /nfs/dbraw/zinc/31/06/70/497310670.db2.gz IMZVZPPKXHYMMZ-KBXCAEBGSA-N 1 2 360.889 3.478 50 0 FGAALO Cc1noc(C)c1CC(=O)N1CCCn2cc[nH+]c2[C@H]1c1ccccc1 ZINC000253411745 497331629 /nfs/dbraw/zinc/33/16/29/497331629.db2.gz PBDTXBLTGCNIBE-LJQANCHMSA-N 1 2 350.422 3.052 50 0 FGAALO CCn1cnnc1-c1cccc(NCc2ccc(N(C)CCOC)[nH+]c2)c1 ZINC000241446997 497353016 /nfs/dbraw/zinc/35/30/16/497353016.db2.gz NQJBQGRLQVGDRJ-UHFFFAOYSA-N 1 2 366.469 3.055 50 0 FGAALO O=C(CC[N@H+]1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1)Nc1nccs1 ZINC000244626676 497366766 /nfs/dbraw/zinc/36/67/66/497366766.db2.gz FQKINNDDCNKZCR-CQSZACIVSA-N 1 2 359.430 3.324 50 0 FGAALO O=C(CC[N@@H+]1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1)Nc1nccs1 ZINC000244626676 497366770 /nfs/dbraw/zinc/36/67/70/497366770.db2.gz FQKINNDDCNKZCR-CQSZACIVSA-N 1 2 359.430 3.324 50 0 FGAALO Cc1nc2c(c(C)n1)C[C@H](C[N@@H+](C)Cc1nc3cc(Cl)ccc3[nH]1)O2 ZINC000244701041 497367129 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/nfs/dbraw/zinc/18/70/99/494187099.db2.gz MEXYMYIQMZQXSU-MRXNPFEDSA-N 1 2 351.244 3.383 50 0 FGAALO O[C@H](Cn1c[nH+]c(-c2ccccc2)c1CCn1cccn1)c1cccnc1 ZINC000065370195 494191015 /nfs/dbraw/zinc/19/10/15/494191015.db2.gz JXDTWEOSUJTCFS-HXUWFJFHSA-N 1 2 359.433 3.118 50 0 FGAALO Cc1[nH]c(CN2CCN(c3nc4c(C)ccc(F)c4cc3C)CC2)c[nH+]1 ZINC000065383739 494191978 /nfs/dbraw/zinc/19/19/78/494191978.db2.gz ITORDAJZWJOARN-UHFFFAOYSA-N 1 2 353.445 3.344 50 0 FGAALO Cc1[nH]cc(CN2CCN(c3nc4c(C)ccc(F)c4cc3C)CC2)[nH+]1 ZINC000065383739 494191980 /nfs/dbraw/zinc/19/19/80/494191980.db2.gz ITORDAJZWJOARN-UHFFFAOYSA-N 1 2 353.445 3.344 50 0 FGAALO C[NH+](C)Cc1nc(-c2nc(C3CC3)nn2-c2ccc3c(c2)OCO3)cs1 ZINC000065395047 494192171 /nfs/dbraw/zinc/19/21/71/494192171.db2.gz NFRQLTYLFGJBLR-UHFFFAOYSA-N 1 2 369.450 3.059 50 0 FGAALO Cc1nnsc1C[N@@H+](C)Cc1ccc(C(=O)Nc2cncc(C)c2)cc1 ZINC000065528771 494210182 /nfs/dbraw/zinc/21/01/82/494210182.db2.gz GMLSVZAUNGZWSN-UHFFFAOYSA-N 1 2 367.478 3.434 50 0 FGAALO Cc1nnsc1C[N@H+](C)Cc1ccc(C(=O)Nc2cncc(C)c2)cc1 ZINC000065528771 494210186 /nfs/dbraw/zinc/21/01/86/494210186.db2.gz GMLSVZAUNGZWSN-UHFFFAOYSA-N 1 2 367.478 3.434 50 0 FGAALO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+]C(C)(C)c2nccs2)cc1 ZINC000072662383 494227918 /nfs/dbraw/zinc/22/79/18/494227918.db2.gz UBUJFBDBNJZJDQ-INIZCTEOSA-N 1 2 359.495 3.340 50 0 FGAALO COc1ccc(C)cc1C[NH+]1CCN(C(=O)NCc2ccccc2)CC1 ZINC000012881604 494266931 /nfs/dbraw/zinc/26/69/31/494266931.db2.gz AJNODCHIJPDGRF-UHFFFAOYSA-N 1 2 353.466 3.031 50 0 FGAALO COc1ccc(NC(=O)C[N@H+](Cc2ccccc2F)C2CC2)cc1OC ZINC000014014470 494300364 /nfs/dbraw/zinc/30/03/64/494300364.db2.gz VMCOCEKPVHIEGK-UHFFFAOYSA-N 1 2 358.413 3.446 50 0 FGAALO COc1ccc(NC(=O)C[N@@H+](Cc2ccccc2F)C2CC2)cc1OC ZINC000014014470 494300369 /nfs/dbraw/zinc/30/03/69/494300369.db2.gz VMCOCEKPVHIEGK-UHFFFAOYSA-N 1 2 358.413 3.446 50 0 FGAALO Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1C ZINC000014135037 494304455 /nfs/dbraw/zinc/30/44/55/494304455.db2.gz QMWRAFAPIGJRQW-ZDUSSCGKSA-N 1 2 357.376 3.226 50 0 FGAALO Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCC[C@H](C(F)(F)F)C2)c1C ZINC000014135037 494304459 /nfs/dbraw/zinc/30/44/59/494304459.db2.gz QMWRAFAPIGJRQW-ZDUSSCGKSA-N 1 2 357.376 3.226 50 0 FGAALO COc1ccc(NC(C)=O)cc1NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000014123515 494304493 /nfs/dbraw/zinc/30/44/93/494304493.db2.gz BNUUWYCCFKITOL-LBPRGKRZSA-N 1 2 373.478 3.273 50 0 FGAALO COc1ccc(NC(C)=O)cc1NC(=O)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000014123515 494304500 /nfs/dbraw/zinc/30/45/00/494304500.db2.gz BNUUWYCCFKITOL-LBPRGKRZSA-N 1 2 373.478 3.273 50 0 FGAALO C[C@H]1C(=O)N(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)C(=O)N1c1ccccc1 ZINC000014206696 494310609 /nfs/dbraw/zinc/31/06/09/494310609.db2.gz USCCPYSFTLSWAX-QWHCGFSZSA-N 1 2 355.360 3.076 50 0 FGAALO C[C@H]1C(=O)N(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)C(=O)N1c1ccccc1 ZINC000014206696 494310612 /nfs/dbraw/zinc/31/06/12/494310612.db2.gz USCCPYSFTLSWAX-QWHCGFSZSA-N 1 2 355.360 3.076 50 0 FGAALO Cc1c[nH]c(-c2ccccc2NC(=O)CNC(=O)c2cc3ccccc3[nH]2)[nH+]1 ZINC000089568359 494325040 /nfs/dbraw/zinc/32/50/40/494325040.db2.gz JNUHEPNFCXYIGB-UHFFFAOYSA-N 1 2 373.416 3.235 50 0 FGAALO CCn1cc[nH+]c1CN1CCO[C@H](Cc2cccc(C(F)(F)F)c2)C1 ZINC000015073975 494338100 /nfs/dbraw/zinc/33/81/00/494338100.db2.gz JFTOZJJTHWBGSM-MRXNPFEDSA-N 1 2 353.388 3.365 50 0 FGAALO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2nonc2C)cc1COC(C)=O ZINC000055401147 494338713 /nfs/dbraw/zinc/33/87/13/494338713.db2.gz QBHKQIYJRIIEFF-QGZVFWFLSA-N 1 2 359.426 3.177 50 0 FGAALO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2nonc2C)cc1COC(C)=O ZINC000055401147 494338718 /nfs/dbraw/zinc/33/87/18/494338718.db2.gz QBHKQIYJRIIEFF-QGZVFWFLSA-N 1 2 359.426 3.177 50 0 FGAALO Cc1cc(Cl)ccc1-n1ncc2c1nc[nH+]c2N1C[C@@H](C)O[C@@H](C)C1 ZINC000015880928 494371975 /nfs/dbraw/zinc/37/19/75/494371975.db2.gz XUEURLCOPVAUKQ-BETUJISGSA-N 1 2 357.845 3.391 50 0 FGAALO CC(C)c1ccc([C@@H](NC(=O)C[N@H+](C)CC(=O)N2CCCC2)C(C)C)cc1 ZINC000016432990 494390159 /nfs/dbraw/zinc/39/01/59/494390159.db2.gz VALBXPUERORZEA-QFIPXVFZSA-N 1 2 373.541 3.178 50 0 FGAALO CC(C)c1ccc([C@@H](NC(=O)C[N@@H+](C)CC(=O)N2CCCC2)C(C)C)cc1 ZINC000016432990 494390161 /nfs/dbraw/zinc/39/01/61/494390161.db2.gz VALBXPUERORZEA-QFIPXVFZSA-N 1 2 373.541 3.178 50 0 FGAALO Cc1cccc(-n2c(O)c([C@H]3[NH2+]CCc4ccccc43)c(=O)[nH]c2=S)c1 ZINC000017194549 494409562 /nfs/dbraw/zinc/40/95/62/494409562.db2.gz VDQCBMRSZSPSSL-KRWDZBQOSA-N 1 2 365.458 3.144 50 0 FGAALO O=S(=O)(c1ccccc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000019373668 494443242 /nfs/dbraw/zinc/44/32/42/494443242.db2.gz UJVBYRTUBAOPAS-UHFFFAOYSA-N 1 2 366.486 3.346 50 0 FGAALO CCOc1cc(C[NH+]2CCN(C(=O)c3ccccc3F)CC2)ccc1OC ZINC000019532051 494447099 /nfs/dbraw/zinc/44/70/99/494447099.db2.gz LSRPXKSXMDQSSR-UHFFFAOYSA-N 1 2 372.440 3.191 50 0 FGAALO CCN1CC[NH+](Cc2c(C)[nH]c3ccc(OCC(C)C)cc3c2=O)CC1 ZINC000019793633 494460455 /nfs/dbraw/zinc/46/04/55/494460455.db2.gz HIUKMHFQNJFDNM-UHFFFAOYSA-N 1 2 357.498 3.421 50 0 FGAALO Cc1cc(C)c(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000020109884 494467287 /nfs/dbraw/zinc/46/72/87/494467287.db2.gz PHWSVZAMGAGZNW-UHFFFAOYSA-N 1 2 358.507 3.118 50 0 FGAALO O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)Nc1ccc(F)cc1F ZINC000020432533 494473804 /nfs/dbraw/zinc/47/38/04/494473804.db2.gz VPAKEMMZRFHHGU-QPJJXVBHSA-N 1 2 371.431 3.234 50 0 FGAALO O=c1[nH]c(=S)n(Cc2ccccc2)c2c1C[N@@H+](C1CCCCC1)CN2 ZINC000020547370 494475374 /nfs/dbraw/zinc/47/53/74/494475374.db2.gz YVRMUTVNYMODSU-UHFFFAOYSA-N 1 2 356.495 3.472 50 0 FGAALO O=c1[nH]c(=S)n(Cc2ccccc2)c2c1C[N@H+](C1CCCCC1)CN2 ZINC000020547370 494475379 /nfs/dbraw/zinc/47/53/79/494475379.db2.gz YVRMUTVNYMODSU-UHFFFAOYSA-N 1 2 356.495 3.472 50 0 FGAALO Cc1nc2sc3c(c2c2nc(COc4ccccc4)nn21)CC[N@@H+](C)C3 ZINC000020566526 494476871 /nfs/dbraw/zinc/47/68/71/494476871.db2.gz JHRRAUSOLDCURZ-UHFFFAOYSA-N 1 2 365.462 3.214 50 0 FGAALO Cc1nc2sc3c(c2c2nc(COc4ccccc4)nn21)CC[N@H+](C)C3 ZINC000020566526 494476872 /nfs/dbraw/zinc/47/68/72/494476872.db2.gz JHRRAUSOLDCURZ-UHFFFAOYSA-N 1 2 365.462 3.214 50 0 FGAALO C[C@H](NC(=O)Nc1ccccc1)[C@@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022027268 494513256 /nfs/dbraw/zinc/51/32/56/494513256.db2.gz IMWDNSMFAUWBPR-PXNSSMCTSA-N 1 2 352.482 3.185 50 0 FGAALO CCN1CC[NH+]([C@H](c2cccs2)[C@H](C)NC(=O)c2ccccc2)CC1 ZINC000022460064 494524821 /nfs/dbraw/zinc/52/48/21/494524821.db2.gz KTSUBVCMEKAJDH-LPHOPBHVSA-N 1 2 357.523 3.245 50 0 FGAALO COc1ccccc1[C@@H](NC(=O)c1ccc(C)c(F)c1)c1[nH+]ccn1C ZINC000022750248 494532353 /nfs/dbraw/zinc/53/23/53/494532353.db2.gz MSCIKQSALDRIKR-GOSISDBHSA-N 1 2 353.397 3.396 50 0 FGAALO C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000022929952 494541528 /nfs/dbraw/zinc/54/15/28/494541528.db2.gz GEJAUBRFOFDUTG-CYBMUJFWSA-N 1 2 365.449 3.171 50 0 FGAALO COc1ccc(C)cc1NC(=O)[C@H](C)N1CC[NH+](Cc2ccsc2)CC1 ZINC000022912144 494542093 /nfs/dbraw/zinc/54/20/93/494542093.db2.gz LHNMJOKJTCPJHA-INIZCTEOSA-N 1 2 373.522 3.210 50 0 FGAALO 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CN(C[C@@H]1CCCCO1)c1nc(N(C)C[C@@H]2CCCCO2)c(Cl)c[nH+]1 ZINC000078998684 523034922 /nfs/dbraw/zinc/03/49/22/523034922.db2.gz VZJHTDBBRSLDTI-GJZGRUSLSA-N 1 2 368.909 3.141 50 0 FGAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC(=O)Nc1c(C)cc(C)cc1C ZINC000241795501 523805190 /nfs/dbraw/zinc/80/51/90/523805190.db2.gz RZRTYDPLJQYHIF-KURKYZTESA-N 1 2 358.482 3.356 50 0 FGAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1c(C)cc(C)cc1C ZINC000241795501 523805194 /nfs/dbraw/zinc/80/51/94/523805194.db2.gz RZRTYDPLJQYHIF-KURKYZTESA-N 1 2 358.482 3.356 50 0 FGAALO Cc1ccc(SCc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)cc1 ZINC000020513149 525661454 /nfs/dbraw/zinc/66/14/54/525661454.db2.gz ZXVIRKJNLWUPTJ-UHFFFAOYSA-N 1 2 370.518 3.349 50 0 FGAALO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cc(C(C)(C)C)n[nH]2)CC1 ZINC000089905213 526073300 /nfs/dbraw/zinc/07/33/00/526073300.db2.gz LGZHBGHKFISOCW-AWEZNQCLSA-N 1 2 358.461 3.365 50 0 FGAALO Cc1nc(C)c(CC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000082157303 526706244 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FGAALO CC[C@@H](C)NS(=O)(=O)Cc1cccc(N[C@@H]2CCCn3cc[nH+]c32)c1 ZINC000585091211 571320271 /nfs/dbraw/zinc/32/02/71/571320271.db2.gz LSURBQPLHUNHDO-RHSMWYFYSA-N 1 2 362.499 3.048 50 0 FGAALO CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000153078629 210248347 /nfs/dbraw/zinc/24/83/47/210248347.db2.gz KJYCOARJQSVFJO-HNNXBMFYSA-N 1 2 359.857 3.288 50 0 FGAALO Cc1cccn2c(CC(=O)NC[C@H]3CCN(c4ccccc4C)C3)c[nH+]c12 ZINC000299777511 210023161 /nfs/dbraw/zinc/02/31/61/210023161.db2.gz KFJFSXRBQYMPKK-GOSISDBHSA-N 1 2 362.477 3.136 50 0 FGAALO Cc1ccc2[nH+]c(COc3ccccc3C(=O)Nc3ccc[nH]c3=O)cn2c1 ZINC000058434336 212011126 /nfs/dbraw/zinc/01/11/26/212011126.db2.gz IBNKRMNOLPSINL-UHFFFAOYSA-N 1 2 374.400 3.162 50 0 FGAALO CCCC[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000058265901 212002223 /nfs/dbraw/zinc/00/22/23/212002223.db2.gz HMJYSLBYYBMGIX-UHFFFAOYSA-N 1 2 351.299 3.100 50 0 FGAALO COCCOc1ccccc1C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000058202669 211994980 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/nfs/dbraw/zinc/37/00/60/211370060.db2.gz MJUMLGALCCDJFA-KPKJPENVSA-N 1 2 374.488 3.491 50 0 FGAALO O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)NCC1CCCCC1 ZINC000022773792 211363584 /nfs/dbraw/zinc/36/35/84/211363584.db2.gz CWBGFCCHJDEDFU-KPKJPENVSA-N 1 2 355.526 3.014 50 0 FGAALO Cn1c2ccccc2[nH+]c1CCc1cccc(NC(=O)c2cnccn2)c1 ZINC000021886265 211329164 /nfs/dbraw/zinc/32/91/64/211329164.db2.gz VYRVUZOFKMQVMJ-UHFFFAOYSA-N 1 2 357.417 3.401 50 0 FGAALO Cc1c(C)n(-c2ccc(C)cc2)c2ncnc(NCC[NH+]3CCOCC3)c12 ZINC000020588835 211288395 /nfs/dbraw/zinc/28/83/95/211288395.db2.gz ZYDPRYYKQVYDRF-UHFFFAOYSA-N 1 2 365.481 3.090 50 0 FGAALO COc1cccc(NC(=O)c2sc3nc4c(cc3c2N)C[N@@H+](C)CC4)c1 ZINC000020289892 211272338 /nfs/dbraw/zinc/27/23/38/211272338.db2.gz VQLXLPLHHKFUNX-UHFFFAOYSA-N 1 2 368.462 3.127 50 0 FGAALO COc1cccc(NC(=O)c2sc3nc4c(cc3c2N)C[N@H+](C)CC4)c1 ZINC000020289892 211272342 /nfs/dbraw/zinc/27/23/42/211272342.db2.gz VQLXLPLHHKFUNX-UHFFFAOYSA-N 1 2 368.462 3.127 50 0 FGAALO CCCCCCn1c(O)c([C@@H]2[NH2+]CCc3ccccc32)c(=O)[nH]c1=S ZINC000020132421 211268665 /nfs/dbraw/zinc/26/86/65/211268665.db2.gz SBVJZIBSIPFCHW-MRXNPFEDSA-N 1 2 359.495 3.427 50 0 FGAALO CCCCCCn1c(=O)c([C@@H]2[NH2+]CCc3ccccc32)c(O)[nH]c1=S ZINC000020132421 211268671 /nfs/dbraw/zinc/26/86/71/211268671.db2.gz SBVJZIBSIPFCHW-MRXNPFEDSA-N 1 2 359.495 3.427 50 0 FGAALO Cc1c(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c2ccccc2n1C ZINC000019371922 211218916 /nfs/dbraw/zinc/21/89/16/211218916.db2.gz BTSQHNYEVLROPQ-UHFFFAOYSA-N 1 2 361.489 3.487 50 0 FGAALO C[N@@H+]1CCc2nc(NC(=O)c3ccc(Br)cc3)sc2C1 ZINC000016916166 211171695 /nfs/dbraw/zinc/17/16/95/211171695.db2.gz RLTCQEURVHONAC-UHFFFAOYSA-N 1 2 352.257 3.146 50 0 FGAALO C[N@H+]1CCc2nc(NC(=O)c3ccc(Br)cc3)sc2C1 ZINC000016916166 211171698 /nfs/dbraw/zinc/17/16/98/211171698.db2.gz RLTCQEURVHONAC-UHFFFAOYSA-N 1 2 352.257 3.146 50 0 FGAALO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)c2nc3ccccc3c(=O)[nH]2)c1 ZINC000016695039 211166808 /nfs/dbraw/zinc/16/68/08/211166808.db2.gz JFRPSMRWHHNKJH-OLZOCXBDSA-N 1 2 353.422 3.352 50 0 FGAALO CSc1nnc(C[N@H+](C)Cc2cc(C)ccc2C)n1C[C@@H]1CCCO1 ZINC000014882588 211103733 /nfs/dbraw/zinc/10/37/33/211103733.db2.gz ZDMUDGVBZSXGQI-KRWDZBQOSA-N 1 2 360.527 3.428 50 0 FGAALO CSc1nnc(C[N@@H+](C)Cc2cc(C)ccc2C)n1C[C@@H]1CCCO1 ZINC000014882588 211103739 /nfs/dbraw/zinc/10/37/39/211103739.db2.gz ZDMUDGVBZSXGQI-KRWDZBQOSA-N 1 2 360.527 3.428 50 0 FGAALO Cc1cc(C(=O)NCc2ccc[nH+]c2N(C)CCc2ccccn2)c(C)o1 ZINC000014979572 211110768 /nfs/dbraw/zinc/11/07/68/211110768.db2.gz AKXSUIRLHPBPLI-UHFFFAOYSA-N 1 2 364.449 3.295 50 0 FGAALO CSc1nnc(C[N@H+](C)Cc2ccc(C)cc2C)n1C[C@H]1CCCO1 ZINC000014878933 211104925 /nfs/dbraw/zinc/10/49/25/211104925.db2.gz PMCYWWNXCDYBTP-QGZVFWFLSA-N 1 2 360.527 3.428 50 0 FGAALO CSc1nnc(C[N@@H+](C)Cc2ccc(C)cc2C)n1C[C@H]1CCCO1 ZINC000014878933 211104928 /nfs/dbraw/zinc/10/49/28/211104928.db2.gz PMCYWWNXCDYBTP-QGZVFWFLSA-N 1 2 360.527 3.428 50 0 FGAALO C[C@@H](Oc1ccc(F)cc1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000014398158 211093365 /nfs/dbraw/zinc/09/33/65/211093365.db2.gz YPPJCLVQKGULFR-KRZKXXONSA-N 1 2 368.452 3.451 50 0 FGAALO O=C(Nc1ccc(F)cc1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000014140496 211076512 /nfs/dbraw/zinc/07/65/12/211076512.db2.gz UESIPKDZUAQIKQ-UHFFFAOYSA-N 1 2 355.413 3.110 50 0 FGAALO CCCc1cc2c(cc1OC(=O)C[NH3+])occ(-c1csc(C)n1)c2=O ZINC000020111235 220312495 /nfs/dbraw/zinc/31/24/95/220312495.db2.gz TZGVGPKFTVOKJF-UHFFFAOYSA-N 1 2 358.419 3.042 50 0 FGAALO CCOC(=O)/C=C/c1ccc(NC(=O)C[N@@H+]2CCc3sccc3C2)cc1 ZINC000010092838 210343233 /nfs/dbraw/zinc/34/32/33/210343233.db2.gz JTUWKMCIMZWHIO-VMPITWQZSA-N 1 2 370.474 3.321 50 0 FGAALO CCOC(=O)/C=C/c1ccc(NC(=O)C[N@H+]2CCc3sccc3C2)cc1 ZINC000010092838 210343239 /nfs/dbraw/zinc/34/32/39/210343239.db2.gz JTUWKMCIMZWHIO-VMPITWQZSA-N 1 2 370.474 3.321 50 0 FGAALO CCCc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc(C(=O)OC)cc1 ZINC000000808006 210274207 /nfs/dbraw/zinc/27/42/07/210274207.db2.gz SDMPIHMYTJZRLX-MRXNPFEDSA-N 1 2 368.433 3.215 50 0 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/nfs/dbraw/zinc/27/03/45/221270345.db2.gz PUYDXYPITZBEQL-UHFFFAOYSA-N 1 2 365.433 3.214 50 0 FGAALO CCc1[nH]c(CN2CCC[C@H](C(=O)c3ccc(OC)cc3OC)C2)c(C)[nH+]1 ZINC000067743371 221280329 /nfs/dbraw/zinc/28/03/29/221280329.db2.gz GSMNGJLDQFOHMB-HNNXBMFYSA-N 1 2 371.481 3.393 50 0 FGAALO CCC[C@@H]1COCCN1C(=O)c1cc(Cn2c(C)[nH+]c3ccccc32)on1 ZINC000067883552 221300396 /nfs/dbraw/zinc/30/03/96/221300396.db2.gz ZUGYSFILGLOYMH-OAHLLOKOSA-N 1 2 368.437 3.022 50 0 FGAALO CCc1[nH+]ccn1CC(=O)N1CCC(c2[nH]ncc2-c2ccccc2)CC1 ZINC000067935390 221306435 /nfs/dbraw/zinc/30/64/35/221306435.db2.gz KUKAIWHPWXJGEA-UHFFFAOYSA-N 1 2 363.465 3.242 50 0 FGAALO Cc1nc(Cn2ccnc2-c2cccc(C[NH+]3CCOCC3)c2)cs1 ZINC000071751172 221362422 /nfs/dbraw/zinc/36/24/22/221362422.db2.gz VWDIATBVFSVPNA-UHFFFAOYSA-N 1 2 354.479 3.196 50 0 FGAALO Cc1nc(N2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)cc[nH+]1 ZINC000071707874 221354454 /nfs/dbraw/zinc/35/44/54/221354454.db2.gz IVFRUHFKQMEZCU-GOSISDBHSA-N 1 2 356.445 3.188 50 0 FGAALO 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/nfs/dbraw/zinc/39/88/79/220398879.db2.gz XYBYANOOMOKLNJ-ZWKOTPCHSA-N 1 2 369.484 3.209 50 0 FGAALO O=C(Cc1ccc(Br)cc1)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000031314379 220636148 /nfs/dbraw/zinc/63/61/48/220636148.db2.gz RSXLCLBPIKMCBX-UHFFFAOYSA-N 1 2 374.282 3.303 50 0 FGAALO CC[C@@H](C(=O)NCc1c[nH+]cn1CC)n1cc(C(C)=O)c2ccccc21 ZINC000055119858 221060094 /nfs/dbraw/zinc/06/00/94/221060094.db2.gz YJJGTUBHVACJSD-SFHVURJKSA-N 1 2 352.438 3.328 50 0 FGAALO O=C(C[C@@H]1C(=O)OCC[N@@H+]1C1CCCCC1)Nc1ccc(Cl)cc1 ZINC000054253750 221050992 /nfs/dbraw/zinc/05/09/92/221050992.db2.gz CLZCWTVYZRGGGQ-MRXNPFEDSA-N 1 2 350.846 3.229 50 0 FGAALO O=C(C[C@@H]1C(=O)OCC[N@H+]1C1CCCCC1)Nc1ccc(Cl)cc1 ZINC000054253750 221050995 /nfs/dbraw/zinc/05/09/95/221050995.db2.gz CLZCWTVYZRGGGQ-MRXNPFEDSA-N 1 2 350.846 3.229 50 0 FGAALO Cc1c[nH]c(CN(C)C(=O)CCCc2nc(-c3ccccc3C)no2)[nH+]1 ZINC000055060503 221057501 /nfs/dbraw/zinc/05/75/01/221057501.db2.gz YZORIKKKHFBRQV-UHFFFAOYSA-N 1 2 353.426 3.058 50 0 FGAALO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)Cc2ccccc2OC)c1C ZINC000057406498 221087177 /nfs/dbraw/zinc/08/71/77/221087177.db2.gz BSBVXVOVVTWAJU-CQSZACIVSA-N 1 2 358.438 3.130 50 0 FGAALO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2OC)c1C ZINC000057406498 221087180 /nfs/dbraw/zinc/08/71/80/221087180.db2.gz BSBVXVOVVTWAJU-CQSZACIVSA-N 1 2 358.438 3.130 50 0 FGAALO Cc1ccccc1Nc1nc(N)nc(C[N@H+]2CCC[C@H]2c2cccn2C)n1 ZINC000057286245 221085714 /nfs/dbraw/zinc/08/57/14/221085714.db2.gz PMFSOZTXDQAEGI-KRWDZBQOSA-N 1 2 363.469 3.181 50 0 FGAALO Cc1ccccc1Nc1nc(N)nc(C[N@@H+]2CCC[C@H]2c2cccn2C)n1 ZINC000057286245 221085716 /nfs/dbraw/zinc/08/57/16/221085716.db2.gz PMFSOZTXDQAEGI-KRWDZBQOSA-N 1 2 363.469 3.181 50 0 FGAALO C[N@H+](CC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)Cc1cccc(Cl)c1 ZINC000057322960 221086613 /nfs/dbraw/zinc/08/66/13/221086613.db2.gz GHYMLERMDSZMSM-UHFFFAOYSA-N 1 2 359.857 3.219 50 0 FGAALO C[N@@H+](CC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)Cc1cccc(Cl)c1 ZINC000057322960 221086617 /nfs/dbraw/zinc/08/66/17/221086617.db2.gz GHYMLERMDSZMSM-UHFFFAOYSA-N 1 2 359.857 3.219 50 0 FGAALO COCC[N@H+](Cc1nc(-c2ccccc2OC)no1)Cc1ccccc1 ZINC000058214050 221108267 /nfs/dbraw/zinc/10/82/67/221108267.db2.gz VGXVUGONMHLPGB-UHFFFAOYSA-N 1 2 353.422 3.394 50 0 FGAALO COCC[N@@H+](Cc1nc(-c2ccccc2OC)no1)Cc1ccccc1 ZINC000058214050 221108270 /nfs/dbraw/zinc/10/82/70/221108270.db2.gz VGXVUGONMHLPGB-UHFFFAOYSA-N 1 2 353.422 3.394 50 0 FGAALO Cc1ccn2cc(CNC(=O)c3cnn(C(C)C)c3C(F)(F)F)[nH+]c2c1 ZINC000058228294 221110773 /nfs/dbraw/zinc/11/07/73/221110773.db2.gz JFDYNYUAOGQIQZ-UHFFFAOYSA-N 1 2 365.359 3.369 50 0 FGAALO Cc1cn2cc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)ccc2[nH+]1 ZINC000058428488 221119354 /nfs/dbraw/zinc/11/93/54/221119354.db2.gz VOYMXMCUBFUZER-UHFFFAOYSA-N 1 2 352.419 3.329 50 0 FGAALO CCc1ccc(C[N@@H+]2C[C@@H](NC(=O)C3CCCCC3)C[C@H]2C(=O)OC)cc1 ZINC000064061596 221145110 /nfs/dbraw/zinc/14/51/10/221145110.db2.gz GQGKNXUDNRNKCJ-PMACEKPBSA-N 1 2 372.509 3.061 50 0 FGAALO CCc1ccc(C[N@H+]2C[C@@H](NC(=O)C3CCCCC3)C[C@H]2C(=O)OC)cc1 ZINC000064061596 221145113 /nfs/dbraw/zinc/14/51/13/221145113.db2.gz GQGKNXUDNRNKCJ-PMACEKPBSA-N 1 2 372.509 3.061 50 0 FGAALO CCCn1ncc(-c2ccnc(N3CCC[C@@H](Cn4cc[nH+]c4)C3)n2)c1C ZINC000063882364 221145234 /nfs/dbraw/zinc/14/52/34/221145234.db2.gz NCNTXDGSOLHWSH-KRWDZBQOSA-N 1 2 365.485 3.172 50 0 FGAALO O=C(Cn1c[nH+]c2cc3c(cc21)OCCO3)N[C@@H]1CCCc2ccccc21 ZINC000064794900 221152694 /nfs/dbraw/zinc/15/26/94/221152694.db2.gz UWBWRZRWOKBHJQ-MRXNPFEDSA-N 1 2 363.417 3.001 50 0 FGAALO Cc1ccc(NC(=O)c2cn(-c3cc(N4CCCC4)[nH+]cn3)cn2)c(C)c1 ZINC000065239827 221184246 /nfs/dbraw/zinc/18/42/46/221184246.db2.gz GOLKMRITESIKIK-UHFFFAOYSA-N 1 2 362.437 3.132 50 0 FGAALO Cc1ccc(C)c([C@H](C)NC(=O)C[N@H+]2CC=C(c3cnn(C)c3)CC2)c1 ZINC000065455942 221221215 /nfs/dbraw/zinc/22/12/15/221221215.db2.gz NZJXYMCNZVSWDF-KRWDZBQOSA-N 1 2 352.482 3.003 50 0 FGAALO Cc1ccc(C)c([C@H](C)NC(=O)C[N@@H+]2CC=C(c3cnn(C)c3)CC2)c1 ZINC000065455942 221221218 /nfs/dbraw/zinc/22/12/18/221221218.db2.gz NZJXYMCNZVSWDF-KRWDZBQOSA-N 1 2 352.482 3.003 50 0 FGAALO CCSc1nnc(NC(=O)C[NH2+][C@@H]2CCCc3sc(C)nc32)s1 ZINC000065463696 221223242 /nfs/dbraw/zinc/22/32/42/221223242.db2.gz CYQLDJAKBRDLNB-SECBINFHSA-N 1 2 369.541 3.021 50 0 FGAALO Cc1nnc([C@H](C)[N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)o1 ZINC000066830712 221246329 /nfs/dbraw/zinc/24/63/29/221246329.db2.gz ILZNHCZYMLVKDH-LBPRGKRZSA-N 1 2 363.849 3.332 50 0 FGAALO Cc1nnc([C@H](C)[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)o1 ZINC000066830712 221246333 /nfs/dbraw/zinc/24/63/33/221246333.db2.gz ILZNHCZYMLVKDH-LBPRGKRZSA-N 1 2 363.849 3.332 50 0 FGAALO OCc1cc2ccccc2nc1N1CC[NH+](Cc2ccncc2Cl)CC1 ZINC000067515107 221258562 /nfs/dbraw/zinc/25/85/62/221258562.db2.gz OSCKJMGODCHXHU-UHFFFAOYSA-N 1 2 368.868 3.098 50 0 FGAALO Cc1ccc2nc(C[NH+]3CCC(C(=O)NCc4ccco4)CC3)[nH]c2c1C ZINC000067714153 221275072 /nfs/dbraw/zinc/27/50/72/221275072.db2.gz RMRUGTIXXYUHDT-UHFFFAOYSA-N 1 2 366.465 3.301 50 0 FGAALO O=C(NCc1ccc[nH+]c1N1CCCCCCC1)[C@@H](O)c1ccc(F)cc1 ZINC000067805138 221288519 /nfs/dbraw/zinc/28/85/19/221288519.db2.gz MKHXNWSCJJBBMX-IBGZPJMESA-N 1 2 371.456 3.341 50 0 FGAALO Cc1cc(C)n(-c2ccc(F)cc2-c2nccn2CCc2c[nH]c[nH+]2)n1 ZINC000067743442 221279914 /nfs/dbraw/zinc/27/99/14/221279914.db2.gz VNDLZKAPHCQDHG-UHFFFAOYSA-N 1 2 350.401 3.458 50 0 FGAALO CCNC(=O)[C@H](C)[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067773385 221284895 /nfs/dbraw/zinc/28/48/95/221284895.db2.gz WXVYURKCYRZRGK-ZDUSSCGKSA-N 1 2 374.868 3.432 50 0 FGAALO CCNC(=O)[C@H](C)[N@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067773385 221284898 /nfs/dbraw/zinc/28/48/98/221284898.db2.gz WXVYURKCYRZRGK-ZDUSSCGKSA-N 1 2 374.868 3.432 50 0 FGAALO COc1cc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)cc(F)c1O ZINC000067881380 221300113 /nfs/dbraw/zinc/30/01/13/221300113.db2.gz QDXCOWPWWHEKIH-UHFFFAOYSA-N 1 2 357.385 3.003 50 0 FGAALO CCc1cc(=O)[nH]c(-c2ccc(NCc3ccc(-n4cc[nH+]c4)cc3)nc2)n1 ZINC000068692981 221316981 /nfs/dbraw/zinc/31/69/81/221316981.db2.gz DMBOJIARSDNVQQ-UHFFFAOYSA-N 1 2 372.432 3.192 50 0 FGAALO COc1ccc(OC)c(-c2nc(C[N@H+](C)Cc3cnn(C)c3C)c(C)o2)c1 ZINC000071748943 221361098 /nfs/dbraw/zinc/36/10/98/221361098.db2.gz GHOPAGOUFYUHPQ-UHFFFAOYSA-N 1 2 370.453 3.341 50 0 FGAALO COc1ccc(OC)c(-c2nc(C[N@@H+](C)Cc3cnn(C)c3C)c(C)o2)c1 ZINC000071748943 221361101 /nfs/dbraw/zinc/36/11/01/221361101.db2.gz GHOPAGOUFYUHPQ-UHFFFAOYSA-N 1 2 370.453 3.341 50 0 FGAALO CCc1cc(CN2C[C@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CC[NH+]3CC2)[nH]n1 ZINC000071760772 221368099 /nfs/dbraw/zinc/36/80/99/221368099.db2.gz HOEHFUPZRQCJKX-DUXKGJEZSA-N 1 2 372.463 3.313 50 0 FGAALO CCc1cc(CN2C[C@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CC[NH+]3CC2)n[nH]1 ZINC000071760772 221368105 /nfs/dbraw/zinc/36/81/05/221368105.db2.gz HOEHFUPZRQCJKX-DUXKGJEZSA-N 1 2 372.463 3.313 50 0 FGAALO CCc1cc(C[N@@H+]2C[C@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)[nH]n1 ZINC000071760772 221368111 /nfs/dbraw/zinc/36/81/11/221368111.db2.gz HOEHFUPZRQCJKX-DUXKGJEZSA-N 1 2 372.463 3.313 50 0 FGAALO CCc1cc(C[N@H+]2C[C@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)[nH]n1 ZINC000071760772 221368114 /nfs/dbraw/zinc/36/81/14/221368114.db2.gz HOEHFUPZRQCJKX-DUXKGJEZSA-N 1 2 372.463 3.313 50 0 FGAALO COc1ccc(-c2noc(COc3ccc(C)[nH+]c3C)n2)c(OC)c1OC ZINC000071762385 221370085 /nfs/dbraw/zinc/37/00/85/221370085.db2.gz PTJSDOHVVQNIRX-UHFFFAOYSA-N 1 2 371.393 3.353 50 0 FGAALO O=C(C1CC1)N1CCCCC[C@H]1C1CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC000071890544 221385972 /nfs/dbraw/zinc/38/59/72/221385972.db2.gz RSBHRAIENZNBJJ-SFHVURJKSA-N 1 2 372.513 3.340 50 0 FGAALO CN(Cc1csc(-c2cccs2)n1)C(=O)C[N@H+](C)Cc1ccncc1 ZINC000072422366 221510863 /nfs/dbraw/zinc/51/08/63/221510863.db2.gz UJLCWQKFNZUHHN-UHFFFAOYSA-N 1 2 372.519 3.357 50 0 FGAALO CN(Cc1csc(-c2cccs2)n1)C(=O)C[N@@H+](C)Cc1ccncc1 ZINC000072422366 221510866 /nfs/dbraw/zinc/51/08/66/221510866.db2.gz UJLCWQKFNZUHHN-UHFFFAOYSA-N 1 2 372.519 3.357 50 0 FGAALO COc1cc(C[NH+]2CCN(c3ccccc3F)CC2)cc(OC)c1OC ZINC000000755668 132251406 /nfs/dbraw/zinc/25/14/06/132251406.db2.gz SNXHCCNLKOFXDF-UHFFFAOYSA-N 1 2 360.429 3.174 50 0 FGAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N2CCN(c3ccccc3)CC2)cc1 ZINC000004323007 132386829 /nfs/dbraw/zinc/38/68/29/132386829.db2.gz QFQARKGPCOJATL-UHFFFAOYSA-N 1 2 370.460 3.451 50 0 FGAALO Cc1ccc(C)c([C@@H](C)NC(=O)C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000013323191 132866808 /nfs/dbraw/zinc/86/68/08/132866808.db2.gz ZGBKZMZGXQZDNX-GOSISDBHSA-N 1 2 369.484 3.442 50 0 FGAALO O=C(c1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)o1)N1CCCC1 ZINC000034668667 136117857 /nfs/dbraw/zinc/11/78/57/136117857.db2.gz QGOUTIZKQXFAGC-UHFFFAOYSA-N 1 2 373.884 3.491 50 0 FGAALO CC(C)c1ccc(CCC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC000044406253 136121694 /nfs/dbraw/zinc/12/16/94/136121694.db2.gz OWJAUZXDBZFCHK-UHFFFAOYSA-N 1 2 367.493 3.291 50 0 FGAALO O=C(NCc1ccc[nH+]c1N1CCCCC1)N1CCc2ccc(F)cc21 ZINC000058166341 136130601 /nfs/dbraw/zinc/13/06/01/136130601.db2.gz KKANZCVKHWYOJK-UHFFFAOYSA-N 1 2 354.429 3.483 50 0 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CC(=O)NCc1cc2n(n1)CC[N@H+](Cc1ccc(-c3ccc(C)o3)cc1)C2 ZINC000082092741 519674748 /nfs/dbraw/zinc/67/47/48/519674748.db2.gz GVUVHTWIQSIFKK-UHFFFAOYSA-N 1 2 364.449 3.103 50 0 FGAALO CC(=O)NCc1cc2n(n1)CC[N@@H+](Cc1ccc(-c3ccc(C)o3)cc1)C2 ZINC000082092741 519674752 /nfs/dbraw/zinc/67/47/52/519674752.db2.gz GVUVHTWIQSIFKK-UHFFFAOYSA-N 1 2 364.449 3.103 50 0 FGAALO COc1ccc(OCC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000019842071 524930600 /nfs/dbraw/zinc/93/06/00/524930600.db2.gz LEFHJKNUAZQHBF-UHFFFAOYSA-N 1 2 374.868 3.072 50 0 FGAALO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019834894 525134546 /nfs/dbraw/zinc/13/45/46/525134546.db2.gz KGLGGJYBQXRGID-UHFFFAOYSA-N 1 2 353.422 3.073 50 0 FGAALO COc1cccc(-c2cc(C(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)[nH]n2)c1 ZINC000091645421 525702484 /nfs/dbraw/zinc/70/24/84/525702484.db2.gz SPGSJCIYKKFMCR-SFHVURJKSA-N 1 2 367.453 3.127 50 0 FGAALO COc1cccc(C[C@H]2C[N@H+](Cc3nc4c(s3)CCCC4)CCO2)c1 ZINC000019790168 526080628 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