smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2C[N@@H+]1C ZINC000073219013 205356251 /nfs/dbraw/zinc/35/62/51/205356251.db2.gz CPLBCSOCTXPFIW-FXCLAUTBSA-N 1 2 391.427 1.902 1 0 GDAFLO COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2C[N@H+]1C ZINC000073219013 205356255 /nfs/dbraw/zinc/35/62/55/205356255.db2.gz CPLBCSOCTXPFIW-FXCLAUTBSA-N 1 2 391.427 1.902 1 0 GDAFLO O=C(C[NH+]1CCN(c2ccccc2)CC1)N1CCc2cccc3c2[C@@H]1CNC3=O ZINC000043178849 581101149 /nfs/dbraw/zinc/10/11/49/581101149.db2.gz ZBARAZMYBWKCDU-FQEVSTJZSA-N 1 2 390.487 1.678 1 0 GDAFLO COCCNc1[nH+]cccc1Cn1c2cc(C(F)(F)F)nc(N)c2[nH]c1=O ZINC000072123213 205306368 /nfs/dbraw/zinc/30/63/68/205306368.db2.gz RAJSJXBZDGSFRG-UHFFFAOYSA-N 1 2 382.346 1.827 1 0 GDAFLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)[NH+]3CCCC3)cc2c1 ZINC000004537587 204050609 /nfs/dbraw/zinc/05/06/09/204050609.db2.gz YUXCOINHQQSSSN-SFHVURJKSA-N 1 2 398.467 1.745 1 0 GDAFLO COCCNc1cc(Cn2c3cc(C(F)(F)F)nc(N)c3[nH]c2=O)cc[nH+]1 ZINC000072124825 205307777 /nfs/dbraw/zinc/30/77/77/205307777.db2.gz AFPBHYVFUHMLHL-UHFFFAOYSA-N 1 2 382.346 1.827 1 0 GDAFLO Cc1ccc2c(=O)c(C(=O)NC3CCCC3)cn(CC[NH+]3CCOCC3)c2n1 ZINC000036294943 205010428 /nfs/dbraw/zinc/01/04/28/205010428.db2.gz BNHUMMLUSHLSRT-UHFFFAOYSA-N 1 2 384.480 1.710 1 0 GDAFLO O=S1(=O)C[C@@H]([NH+]2CCN(c3ccccn3)CC2)CN1Cc1ccc(F)cc1 ZINC000072104511 205303137 /nfs/dbraw/zinc/30/31/37/205303137.db2.gz MFEZPOUUZMFNPF-SFHVURJKSA-N 1 2 390.484 1.557 3 0 GDAFLO Cc1cccc(-c2ncc(C[NH+]3CCN(c4cnn(C)c(=O)c4)CC3)cn2)c1 ZINC000019113888 136202614 /nfs/dbraw/zinc/20/26/14/136202614.db2.gz ZZGPJBOFRGRAOS-UHFFFAOYSA-N 1 2 376.464 1.868 1 0 GDAFLO COc1cc[nH+]cc1Oc1ccc(N2C(=O)CCC23C(=O)NC(=O)NC3=O)cc1 ZINC000028132849 581097710 /nfs/dbraw/zinc/09/77/10/581097710.db2.gz ABVSHXSHGCSUFR-UHFFFAOYSA-N 1 2 396.359 1.954 1 0 GDAFLO CN1CC[C@]2(C[N@H+](C)CCC2=O)[C@@]12c1cc(Br)ccc1NC2=O ZINC000058541627 205177039 /nfs/dbraw/zinc/17/70/39/205177039.db2.gz KLLJJZPYJPDOKR-SJORKVTESA-N 1 2 378.270 1.823 1 0 GDAFLO CN1CC[C@]2(C[N@@H+](C)CCC2=O)[C@@]12c1cc(Br)ccc1NC2=O ZINC000058541627 205177042 /nfs/dbraw/zinc/17/70/42/205177042.db2.gz KLLJJZPYJPDOKR-SJORKVTESA-N 1 2 378.270 1.823 1 0 GDAFLO COCCNc1ccc(Cn2c3cc(C(F)(F)F)nc(N)c3[nH]c2=O)c[nH+]1 ZINC000072124708 205306862 /nfs/dbraw/zinc/30/68/62/205306862.db2.gz DRTICTASLRMYOD-UHFFFAOYSA-N 1 2 382.346 1.827 1 0 GDAFLO O=S1(=O)C[C@H]([NH+]2CCN(c3ccccn3)CC2)CN1Cc1ccc(F)cc1 ZINC000072104510 205303178 /nfs/dbraw/zinc/30/31/78/205303178.db2.gz MFEZPOUUZMFNPF-GOSISDBHSA-N 1 2 390.484 1.557 3 0 GDAFLO CS(=O)(=O)N1CCC(Nc2nc(N)c(C(=O)c3ccccc3)c[nH+]2)CC1 ZINC000072176956 205317125 /nfs/dbraw/zinc/31/71/25/205317125.db2.gz ANVYHQZGXRCMOQ-UHFFFAOYSA-N 1 2 375.454 1.126 1 0 GDAFLO Cn1cc2c(n1)nc(NC(=O)N[n+]1ccccc1)n1nc(-c3ccco3)nc21 ZINC000071332259 222182449 /nfs/dbraw/zinc/18/24/49/222182449.db2.gz VTVJPAMEFYSPJV-UHFFFAOYSA-O 1 2 376.360 1.334 1 0 GDAFLO O=C(Cn1c(=O)c2cccn2c2cccnc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000006797137 204207695 /nfs/dbraw/zinc/20/76/95/204207695.db2.gz FLOQMGPOKLQUCF-UHFFFAOYSA-N 1 2 388.431 1.393 1 0 GDAFLO CC[C@@H](C(=O)NCC[NH+]1CCOCC1)n1c2ccccc2c2nc(=O)cc(C)n21 ZINC000020464966 204720748 /nfs/dbraw/zinc/72/07/48/204720748.db2.gz PTIIXGUDALPUPA-KRWDZBQOSA-N 1 2 397.479 1.357 3 0 GDAFLO NS(=O)(=O)c1cc2cc(C(=O)NCC[NH+]3CCSCC3)sc2s1 ZINC000029481046 204891148 /nfs/dbraw/zinc/89/11/48/204891148.db2.gz FUGQZVNNDPTYJD-UHFFFAOYSA-N 1 2 391.565 1.389 1 0 GDAFLO CN1Cc2csc3c(C(=O)O)c(=O)c4cc(F)c(N5CC[C@@H]([NH3+])C5)c1c4n23 ZINC000003782319 204019756 /nfs/dbraw/zinc/01/97/56/204019756.db2.gz HUVDYGOUPLIWJC-MRVPVSSYSA-N 1 2 388.424 1.839 1 0 GDAFLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)[NH+]3CCCC3)cc2c1 ZINC000004537590 204050526 /nfs/dbraw/zinc/05/05/26/204050526.db2.gz YUXCOINHQQSSSN-GOSISDBHSA-N 1 2 398.467 1.745 1 0 GDAFLO Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C[N@H+](C)Cc1no[n+]([O-])c1C(N)=O)O2 ZINC000038143396 205035366 /nfs/dbraw/zinc/03/53/66/205035366.db2.gz RVOOGFBREZBHMZ-IBGZPJMESA-N 1 2 390.440 1.253 1 0 GDAFLO Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C[N@@H+](C)Cc1no[n+]([O-])c1C(N)=O)O2 ZINC000038143396 205035370 /nfs/dbraw/zinc/03/53/70/205035370.db2.gz RVOOGFBREZBHMZ-IBGZPJMESA-N 1 2 390.440 1.253 1 0 GDAFLO Nc1nc(C(F)(F)F)nc2c1nnn2C[C@H]1C[N@H+](Cc2ccccn2)CCO1 ZINC000084690757 205399007 /nfs/dbraw/zinc/39/90/07/205399007.db2.gz HVYALEXLNWKGCT-LLVKDONJSA-N 1 2 394.361 1.118 1 0 GDAFLO Nc1nc(C(F)(F)F)nc2c1nnn2C[C@H]1C[N@@H+](Cc2ccccn2)CCO1 ZINC000084690757 205399010 /nfs/dbraw/zinc/39/90/10/205399010.db2.gz HVYALEXLNWKGCT-LLVKDONJSA-N 1 2 394.361 1.118 1 0 GDAFLO CCn1nccc1NC1=C(C(N)=O)[NH2+]Nc2c(C)cc(S(=O)(=O)CC)cc21 ZINC000045352482 205096213 /nfs/dbraw/zinc/09/62/13/205096213.db2.gz VVHRRMNMSDWQAI-UHFFFAOYSA-N 1 2 390.469 1.201 1 0 GDAFLO CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCC[NH+]1CCOCC1 ZINC000020766263 207214096 /nfs/dbraw/zinc/21/40/96/207214096.db2.gz IOAZNAQLZVHEKU-WMZOPIPTSA-N 1 2 397.541 1.136 3 0 GDAFLO O=C(NCc1cccnc1N1CCN(c2cccc[nH+]2)CC1)c1cnccn1 ZINC000012583601 207324860 /nfs/dbraw/zinc/32/48/60/207324860.db2.gz UTYBVECCGGJGML-UHFFFAOYSA-N 1 2 375.436 1.523 1 0 GDAFLO CC[N@@H+]1[C@@H]2[C@@H]3C[C@H]4[C@]2([C@@H]2C[C@H]5[C@H](O)[C@@H]2[C@]3(O)C[C@@H]5OC)[C@@H]2CC[C@@]4(C)[C@H]1O2 ZINC000095912624 291107542 /nfs/dbraw/zinc/10/75/42/291107542.db2.gz RYTZLEVRXNSDGJ-SRKQURDMSA-N 1 2 375.509 1.615 1 0 biogenic,in-vitro GDAFLO CC[N@H+]1[C@@H]2[C@@H]3C[C@H]4[C@]2([C@@H]2C[C@H]5[C@H](O)[C@@H]2[C@]3(O)C[C@@H]5OC)[C@@H]2CC[C@@]4(C)[C@H]1O2 ZINC000095912624 291107546 /nfs/dbraw/zinc/10/75/46/291107546.db2.gz RYTZLEVRXNSDGJ-SRKQURDMSA-N 1 2 375.509 1.615 1 0 biogenic,in-vitro GDAFLO CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCC[NH+]1CCOCC1 ZINC000020766256 207212710 /nfs/dbraw/zinc/21/27/10/207212710.db2.gz IOAZNAQLZVHEKU-FUHWJXTLSA-N 1 2 397.541 1.136 3 0 GDAFLO O=C(C[NH+]1CCN(c2ccccc2)CC1)N1CCc2cccc3c2[C@H]1CNC3=O ZINC000043178850 581101184 /nfs/dbraw/zinc/10/11/84/581101184.db2.gz ZBARAZMYBWKCDU-HXUWFJFHSA-N 1 2 390.487 1.678 1 0 GDAFLO O=C(O)c1cn(C2CCOCC2)c2cc(N3CC[NH2+]CC3)c(F)cc2c1=O ZINC000026944696 207321112 /nfs/dbraw/zinc/32/11/12/207321112.db2.gz PWPWDJFIVUZQPA-UHFFFAOYSA-N 1 2 375.400 1.600 1 0 GDAFLO CC(CF)(CF)n1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@H]4C[C@@H]3C[NH2+]4)nc21 ZINC000027199104 207324843 /nfs/dbraw/zinc/32/48/43/207324843.db2.gz WWHSHEYILIGFDT-NXEZZACHSA-N 1 2 396.369 1.439 1 0 GDAFLO CC(C)Nc1[nH+]c2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@@H](CO)[C@H](O)[C@@H]1O ZINC000000538596 206307868 /nfs/dbraw/zinc/30/78/68/206307868.db2.gz KJFBVJALEQWJBS-XDQVBPFNSA-N 1 2 376.240 1.775 1 0 GDAFLO CN1Cc2csc3c(C(=O)O)c(=O)c4cc(F)c(N5CC[NH2+]CC5)c1c4n23 ZINC000000576956 206308515 /nfs/dbraw/zinc/30/85/15/206308515.db2.gz YGGGMRJGDRFMIN-UHFFFAOYSA-N 1 2 388.424 1.711 1 0 GDAFLO Nc1c(Cl)cc([C@H](O)C[NH+]2CCN(c3ccc(=O)[nH]n3)CC2)cc1Cl ZINC000026637062 207316909 /nfs/dbraw/zinc/31/69/09/207316909.db2.gz WHIODNRYXMXYAE-CYBMUJFWSA-N 1 2 384.267 1.927 1 0 GDAFLO COCC[C@@H](C(=O)Oc1c(OC)cccc1OC)[NH+](CCOC)CCOC ZINC000026144852 207310632 /nfs/dbraw/zinc/31/06/32/207310632.db2.gz ZBGLZEKNBFRDLN-HNNXBMFYSA-N 1 2 385.457 1.609 1 0 GDAFLO OCCN1CC[N@H+](CCO)Cc2ccccc2OCCOc2ccccc2C1 ZINC000022027197 207244885 /nfs/dbraw/zinc/24/48/85/207244885.db2.gz CSBQOUYEXOZEDZ-UHFFFAOYSA-N 1 2 386.492 1.747 1 0 GDAFLO OCCN1CC[N@@H+](CCO)Cc2ccccc2OCCOc2ccccc2C1 ZINC000022027197 207244889 /nfs/dbraw/zinc/24/48/89/207244889.db2.gz CSBQOUYEXOZEDZ-UHFFFAOYSA-N 1 2 386.492 1.747 1 0 GDAFLO Nc1[nH+]cnc2c1c1c(cccc1-c1ccccc1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000096915936 208327103 /nfs/dbraw/zinc/32/71/03/208327103.db2.gz ZZXYVZVMIOFKBB-HAXDFEGKSA-N 1 2 392.415 1.445 1 0 GDAFLO O=C1CN(C[NH+]2CCN(c3cccc4ccccc43)CC2)C(=O)[C@H]2CCCN12 ZINC000000595350 206308473 /nfs/dbraw/zinc/30/84/73/206308473.db2.gz CTZWGZSINBFHFD-HXUWFJFHSA-N 1 2 378.476 1.753 1 0 GDAFLO Nc1[nH+]cnc2c1c1cc(-c3ccsc3)ccc1n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000096915931 208328097 /nfs/dbraw/zinc/32/80/97/208328097.db2.gz ARNBBPOGMTWNEW-NVQRDWNXSA-N 1 2 398.444 1.507 1 0 GDAFLO NC(=O)c1cccc2cn(-c3ccc(C(=O)NCC[NH+]4CCOCC4)cc3)nc21 ZINC000045347364 581100602 /nfs/dbraw/zinc/10/06/02/581100602.db2.gz POINJFUROGHWOY-UHFFFAOYSA-N 1 2 393.447 1.186 1 0 GDAFLO COCCC[NH+](CCCOC)[C@H](COC)C(=O)Oc1c(OC)cccc1OC ZINC000084462556 208090517 /nfs/dbraw/zinc/09/05/17/208090517.db2.gz NBXDCQRGULQTFI-MRXNPFEDSA-N 1 2 399.484 1.999 1 0 GDAFLO O=C1O[C@@H](CO)[C@@H]2COc3cc(-c4ccc(N5CCC(O)CC5)[nH+]c4)ccc3N12 ZINC000095585302 136182350 /nfs/dbraw/zinc/18/23/50/136182350.db2.gz UTFOJEDOSZUWLZ-HKUYNNGSSA-N 1 2 397.431 1.788 1 0 GDAFLO C[C@@]1(c2ccc(F)cc2)CC(=O)N(CC[NH+]2CCN(c3ncccn3)CC2)C1=O ZINC000029241660 207357075 /nfs/dbraw/zinc/35/70/75/207357075.db2.gz MYWHNQVWNJFKEM-NRFANRHFSA-N 1 2 397.454 1.455 1 0 GDAFLO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CC(=O)[O-])c1c[nH]c[nH+]1 ZINC000029407334 207362285 /nfs/dbraw/zinc/36/22/85/207362285.db2.gz ONQHUIBQCHWNDE-LPSNKHISSA-N 1 2 392.456 1.127 1 0 GDAFLO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CC(=O)[O-])c1c[nH+]c[nH]1 ZINC000029407334 207362294 /nfs/dbraw/zinc/36/22/94/207362294.db2.gz ONQHUIBQCHWNDE-LPSNKHISSA-N 1 2 392.456 1.127 1 0 GDAFLO Nc1[nH+]cnc2c1c1cc(-c3ccccc3)ccc1n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000096915924 208327090 /nfs/dbraw/zinc/32/70/90/208327090.db2.gz OFODKCRWVOAXCB-QTQZEZTPSA-N 1 2 392.415 1.445 1 0 GDAFLO Cc1c(N2CC[C@@H](C[NH3+])C2)c(F)c(N)c2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12 ZINC000025971122 207307731 /nfs/dbraw/zinc/30/77/31/207307731.db2.gz TZCXKIMEEQCHGV-ZMLRMANQSA-N 1 2 392.406 1.797 1 0 GDAFLO O=C(NCc1ccc(F)cc1)c1nc2n(c(=O)c1O)CCC[C@H]2[NH+]1CCCC1 ZINC000014979447 207037576 /nfs/dbraw/zinc/03/75/76/207037576.db2.gz ACXFMOMITXTZCU-OAHLLOKOSA-N 1 2 386.427 1.949 1 0 GDAFLO CCN(CC)c1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(N(CC)CC)[nH+]1 ZINC000028466188 207342445 /nfs/dbraw/zinc/34/24/45/207342445.db2.gz VODDDBVZPRKIFW-UHFFFAOYSA-N 1 2 393.517 1.955 1 0 GDAFLO COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2C[N@@H+]1C ZINC000073199567 208034715 /nfs/dbraw/zinc/03/47/15/208034715.db2.gz USGVSTLOXQAOPI-SOIKWTOOSA-N 1 2 395.390 1.733 1 0 GDAFLO COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2C[N@H+]1C ZINC000073199567 208034719 /nfs/dbraw/zinc/03/47/19/208034719.db2.gz USGVSTLOXQAOPI-SOIKWTOOSA-N 1 2 395.390 1.733 1 0 GDAFLO Cc1cccc(C)c1-n1nnnc1[C@@]1(C)CCC(=O)N1CCC[NH+]1CCOCC1 ZINC000095570888 208233793 /nfs/dbraw/zinc/23/37/93/208233793.db2.gz OWGOPZDFARHDBB-OAQYLSRUSA-N 1 2 398.511 1.839 3 0 GDAFLO O=C(NCC[NH+]1CCOCC1)[C@@]1(C(F)(F)F)C/C(=C\CCO)CCCO1 ZINC000013829212 207000788 /nfs/dbraw/zinc/00/07/88/207000788.db2.gz WTNDXNCIGMZZSL-AUBBPRACSA-N 1 2 380.407 1.245 1 0 GDAFLO CCOC(=O)/C=C/c1cc(C[NH+]2CCN(c3ncccn3)CC2)cc(C(N)=O)c1 ZINC000029406882 207361687 /nfs/dbraw/zinc/36/16/87/207361687.db2.gz LXPHSQXYWQAJQK-SNAWJCMRSA-N 1 2 395.463 1.474 1 0 GDAFLO O=c1ccc(-n2ccnc2)nn1CC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000013475444 210063570 /nfs/dbraw/zinc/06/35/70/210063570.db2.gz FFOZZAKIBYLGNB-UHFFFAOYSA-N 1 2 384.871 1.905 1 0 GDAFLO Cc1nc2ccccc2n1-c1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC000073140972 136171447 /nfs/dbraw/zinc/17/14/47/136171447.db2.gz JEDLLKZKXSMSBV-UHFFFAOYSA-N 1 2 381.440 1.192 1 0 GDAFLO Cc1[nH]c(/C=C2\C(=O)Nc3ccncc32)c(C)c1C(=O)N1CC[NH+](CCO)CC1 ZINC000073196043 211125882 /nfs/dbraw/zinc/12/58/82/211125882.db2.gz XTYAFZOKTXMVOZ-PTNGSMBKSA-N 1 2 395.463 1.269 1 0 GDAFLO Cc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000014961620 210133252 /nfs/dbraw/zinc/13/32/52/210133252.db2.gz SDPQEALWVMLFDV-NRFANRHFSA-N 1 2 395.503 1.707 1 0 GDAFLO Cc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000014961620 210133256 /nfs/dbraw/zinc/13/32/56/210133256.db2.gz SDPQEALWVMLFDV-NRFANRHFSA-N 1 2 395.503 1.707 1 0 GDAFLO NC(=O)[C@H](CCO)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000066101118 211002239 /nfs/dbraw/zinc/00/22/39/211002239.db2.gz BFBWMDDWOUKCDH-IBGZPJMESA-N 1 2 389.446 1.908 1 0 GDAFLO NC(=O)[C@H](CCO)[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000066101118 211002242 /nfs/dbraw/zinc/00/22/42/211002242.db2.gz BFBWMDDWOUKCDH-IBGZPJMESA-N 1 2 389.446 1.908 1 0 GDAFLO COc1ccccc1N1CC[NH+](CCn2c(=O)[nH]c3sccc3c2=O)CC1 ZINC000000576615 209250573 /nfs/dbraw/zinc/25/05/73/209250573.db2.gz HESSOZXPIKFUEI-UHFFFAOYSA-N 1 2 386.477 1.582 1 0 GDAFLO O=C([C@H]1CCS(=O)(=O)[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]21)N1CCCC1 ZINC000096082978 211300171 /nfs/dbraw/zinc/30/01/71/211300171.db2.gz SKXCGVZTMZYUNO-RCCFBDPRSA-N 1 2 380.485 1.683 1 0 GDAFLO O=C([C@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]21)N1CCCC1 ZINC000096082978 211300176 /nfs/dbraw/zinc/30/01/76/211300176.db2.gz SKXCGVZTMZYUNO-RCCFBDPRSA-N 1 2 380.485 1.683 1 0 GDAFLO O=C(NCc1ccc(F)cc1)c1nc2n(c(=O)c1O)CCC[C@@H]2[NH+]1CCCC1 ZINC000014979444 210139110 /nfs/dbraw/zinc/13/91/10/210139110.db2.gz ACXFMOMITXTZCU-HNNXBMFYSA-N 1 2 386.427 1.949 1 0 GDAFLO Nc1nc(N2CC[NH+](Cc3ccccn3)CC2)nc2nc(-c3ccco3)nn21 ZINC000013581802 210068518 /nfs/dbraw/zinc/06/85/18/210068518.db2.gz RSLDGUYQXPXIQF-UHFFFAOYSA-N 1 2 377.412 1.079 1 0 GDAFLO COc1cccc(N2CC[NH+](CCn3c(=O)[nH]c4ccsc4c3=O)CC2)c1 ZINC000029476775 210547716 /nfs/dbraw/zinc/54/77/16/210547716.db2.gz PCJSKIISFIYAPR-UHFFFAOYSA-N 1 2 386.477 1.582 1 0 GDAFLO COc1ccc2c(c1)c(C(N)=O)c(-c1ccccc1)n2C1N=NC(=S)N[C@@H]1[NH3+] ZINC000169347362 211637823 /nfs/dbraw/zinc/63/78/23/211637823.db2.gz COHKSBBTDYEWDN-INIZCTEOSA-N 1 2 394.460 1.340 1 0 GDAFLO Cc1nonc1CN(C)C(=O)C[C@@H]1C(=O)NCC[N@H+]1C/C=C/c1ccccc1 ZINC000015070962 210148496 /nfs/dbraw/zinc/14/84/96/210148496.db2.gz GIVMDTCREKBLOK-AHKGRUIUSA-N 1 2 383.452 1.240 1 0 GDAFLO Cc1nonc1CN(C)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1C/C=C/c1ccccc1 ZINC000015070962 210148501 /nfs/dbraw/zinc/14/85/01/210148501.db2.gz GIVMDTCREKBLOK-AHKGRUIUSA-N 1 2 383.452 1.240 1 0 GDAFLO COCc1cc(=O)[nH]c(-c2ccc(C[NH+]3CCN(C(=O)N(C)C)CC3)cc2)n1 ZINC000023542313 209175777 /nfs/dbraw/zinc/17/57/77/209175777.db2.gz MXZJMPKPKMFYHM-UHFFFAOYSA-N 1 2 385.468 1.383 1 0 GDAFLO FCc1nc2ccccc2n1-c1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC000073140974 136171479 /nfs/dbraw/zinc/17/14/79/136171479.db2.gz XOQCDGNHQMUGDS-UHFFFAOYSA-N 1 2 399.430 1.353 1 0 GDAFLO C[NH+](C)CCOc1ccc(C=c2[nH]c(=O)c(=Cc3ccccc3)[nH]c2=O)cc1 ZINC000256001573 209223060 /nfs/dbraw/zinc/22/30/60/209223060.db2.gz SKAOOZAHHYQXKN-UHFFFAOYSA-N 1 2 377.444 1.486 1 0 investigational GDAFLO O=C(NCC[NH+]1CCOCC1)[C@]1(C(F)(F)F)C/C(=C\CCO)CCCO1 ZINC000013829210 210093781 /nfs/dbraw/zinc/09/37/81/210093781.db2.gz WTNDXNCIGMZZSL-FUYANPBUSA-N 1 2 380.407 1.245 1 0 GDAFLO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Cn1nnnc1C[NH+]1CCCC1)CC3 ZINC000011996809 209138049 /nfs/dbraw/zinc/13/80/49/209138049.db2.gz BBBDOQLHQQYSFT-UHFFFAOYSA-N 1 2 379.468 1.644 1 0 GDAFLO Cc1nc(N)nc(-c2c(Nc3cc[nH]n3)nc3ccc(-c4c[nH+]cn4C)cn32)n1 ZINC000095554908 211276918 /nfs/dbraw/zinc/27/69/18/211276918.db2.gz CTXUPZKYBBQLJM-UHFFFAOYSA-N 1 2 387.411 1.944 1 0 GDAFLO COCCC[NH+](CCCOC)[C@@H](COC)C(=O)Oc1c(OC)cccc1OC ZINC000084462555 211169491 /nfs/dbraw/zinc/16/94/91/211169491.db2.gz NBXDCQRGULQTFI-INIZCTEOSA-N 1 2 399.484 1.999 1 0 GDAFLO COc1cc2c(cc3n2C(=S)N(CCC[NH+]2CCOCC2)C3=O)c(OC)c1 ZINC000013487558 210063886 /nfs/dbraw/zinc/06/38/86/210063886.db2.gz RRQAVDSDZWOWAB-UHFFFAOYSA-N 1 2 389.477 1.970 1 0 GDAFLO Nc1[nH+]cnc2c1c1c(cccc1-c1ccco1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000096915937 211351394 /nfs/dbraw/zinc/35/13/94/211351394.db2.gz WMAULLWESMONRX-BGIGGGFGSA-N 1 2 382.376 1.038 1 0 GDAFLO CCOC(=O)C(C)(CCCCn1c[nH+]c2c1NC=NC[C@@H]2O)C(=O)OCC ZINC000013807821 221290321 /nfs/dbraw/zinc/29/03/21/221290321.db2.gz AQYPWVJDOMCRTB-ZDUSSCGKSA-N 1 2 380.445 1.673 1 0 GDAFLO CC(C)[N@H+](C)Cc1nnnn1CC(=O)NCc1cc(F)cc(C(F)(F)F)c1 ZINC000012507564 221200640 /nfs/dbraw/zinc/20/06/40/221200640.db2.gz BLRKGGJMBJOIMS-UHFFFAOYSA-N 1 2 388.369 1.988 3 0 GDAFLO CC(C)[N@@H+](C)Cc1nnnn1CC(=O)NCc1cc(F)cc(C(F)(F)F)c1 ZINC000012507564 221200642 /nfs/dbraw/zinc/20/06/42/221200642.db2.gz BLRKGGJMBJOIMS-UHFFFAOYSA-N 1 2 388.369 1.988 3 0 GDAFLO CCOC(=O)C(C)(CCCCn1c[nH+]c2c1NC=NC[C@H]2O)C(=O)OCC ZINC000013807823 221290388 /nfs/dbraw/zinc/29/03/88/221290388.db2.gz AQYPWVJDOMCRTB-CYBMUJFWSA-N 1 2 380.445 1.673 1 0 GDAFLO Cc1cc(C[N@@H+]2C[C@H]3C[C@@H]2CN3c2nc3nc(-c4ccco4)nn3c(N)n2)no1 ZINC000013612407 221277272 /nfs/dbraw/zinc/27/72/72/221277272.db2.gz LINVQZKJPIIWRP-CHWSQXEVSA-N 1 2 393.411 1.121 1 0 GDAFLO Cc1cc(C[N@H+]2C[C@H]3C[C@@H]2CN3c2nc3nc(-c4ccco4)nn3c(N)n2)no1 ZINC000013612407 221277273 /nfs/dbraw/zinc/27/72/73/221277273.db2.gz LINVQZKJPIIWRP-CHWSQXEVSA-N 1 2 393.411 1.121 1 0 GDAFLO Cc1cccc(C)c1-n1nnnc1[C@]1(C)CCC(=O)N1CCC[NH+]1CCOCC1 ZINC000095570887 222355964 /nfs/dbraw/zinc/35/59/64/222355964.db2.gz OWGOPZDFARHDBB-NRFANRHFSA-N 1 2 398.511 1.839 3 0 GDAFLO C[NH+]1CCN(C2(c3ccc(Oc4ccccc4)cc3)C(=O)NC(=O)NC2=O)CC1 ZINC000072105399 222205831 /nfs/dbraw/zinc/20/58/31/222205831.db2.gz CHCJEQKHZPVJHX-UHFFFAOYSA-N 1 2 394.431 1.288 1 0 GDAFLO C[NH+]1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1 ZINC000084687544 222319553 /nfs/dbraw/zinc/31/95/53/222319553.db2.gz XNYFTBIZCSSKCL-UHFFFAOYSA-N 1 2 385.443 1.658 1 0 GDAFLO Nc1nc(N2CC[NH+](Cc3ccncc3)CC2)nc2nc(-c3ccco3)nn21 ZINC000013581808 221275603 /nfs/dbraw/zinc/27/56/03/221275603.db2.gz ONKPUAFILFNANB-UHFFFAOYSA-N 1 2 377.412 1.079 1 0 GDAFLO Nc1nc(N2CC[NH+](Cc3cccnc3)CC2)nc2nc(-c3ccco3)nn21 ZINC000013581805 221275805 /nfs/dbraw/zinc/27/58/05/221275805.db2.gz VOTMFSBOTDUFIW-UHFFFAOYSA-N 1 2 377.412 1.079 1 0 GDAFLO NC(=O)C1CC[NH+](CC(=O)Nc2cccc3c2C(=O)c2c-3n[nH]c2C2CC2)CC1 ZINC000013492176 221270664 /nfs/dbraw/zinc/27/06/64/221270664.db2.gz UFQIHIBAMFVYOW-UHFFFAOYSA-N 1 2 393.447 1.634 1 0 GDAFLO CCOCC[C@@H](C(=O)Oc1c(OC)cccc1OC)[NH+](CCOC)CCOC ZINC000029568725 221696204 /nfs/dbraw/zinc/69/62/04/221696204.db2.gz TZJRDKNZVSYHQN-INIZCTEOSA-N 1 2 399.484 1.999 1 0 GDAFLO CC(C)c1[nH]nc2c1C(=O)c1c-2cccc1NC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000013492175 221270167 /nfs/dbraw/zinc/27/01/67/221270167.db2.gz IISWHFMSGFZNGY-UHFFFAOYSA-N 1 2 395.463 1.880 1 0 GDAFLO O=C(NCC[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cccc(F)n1 ZINC000072138185 222210703 /nfs/dbraw/zinc/21/07/03/222210703.db2.gz BSPNFNWHGZKBPF-UHFFFAOYSA-N 1 2 383.427 1.931 1 0 GDAFLO NC(=O)c1c2cc(Cl)ccc2n(C2N=NC(=S)N[C@H]2[NH3+])c1-c1ccccc1 ZINC000169346687 222535535 /nfs/dbraw/zinc/53/55/35/222535535.db2.gz GEYTVAZQYDOGRA-OAHLLOKOSA-N 1 2 398.879 1.985 1 0 GDAFLO Cc1[nH]c(/C=C2\C(=O)Nc3ncccc32)c(C)c1C(=O)N1CC[NH+](CCO)CC1 ZINC000073162620 222267267 /nfs/dbraw/zinc/26/72/67/222267267.db2.gz QOXBYTLMWVKWGD-VBKFSLOCSA-N 1 2 395.463 1.269 1 0 GDAFLO CCCNc1[nH+]c2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000052538780 222007081 /nfs/dbraw/zinc/00/70/81/222007081.db2.gz YGGGUDWBQPJEAQ-AAVRWANBSA-N 1 2 376.240 1.777 1 0 GDAFLO C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(OC)nc3)c3c2nc[nH+]c3N)C1 ZINC000095575315 222356844 /nfs/dbraw/zinc/35/68/44/222356844.db2.gz FTQVYQSJYBIQES-CYBMUJFWSA-N 1 2 379.424 1.829 1 0 GDAFLO C[NH+](C)CCSc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccccc3)[nH]c2=O)cc1 ZINC000013489777 221270568 /nfs/dbraw/zinc/27/05/68/221270568.db2.gz RYRKPESQGOEIQY-SGAFJUGLSA-N 1 2 393.512 1.375 1 0 GDAFLO O=C1c2ccccc2C(=O)N1CC[NH+]1CCN(c2cccc3c2OCCO3)CC1 ZINC000013743928 221286701 /nfs/dbraw/zinc/28/67/01/221286701.db2.gz SQGUDQSORCIZRK-UHFFFAOYSA-N 1 2 393.443 1.876 1 0 GDAFLO O=C(c1ccc(F)cc1)N1CC[NH+](CCn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000066079050 222136298 /nfs/dbraw/zinc/13/62/98/222136298.db2.gz MOPXRYKHWYVVCX-UHFFFAOYSA-N 1 2 396.422 1.287 1 0 GDAFLO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000015786764 221346020 /nfs/dbraw/zinc/34/60/20/221346020.db2.gz PDAAJNDDBVPPTE-AWEZNQCLSA-N 1 2 392.481 1.648 1 0 GDAFLO C[C@H]1CCCC[N@H+]1CCNC(=O)c1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000015786764 221346023 /nfs/dbraw/zinc/34/60/23/221346023.db2.gz PDAAJNDDBVPPTE-AWEZNQCLSA-N 1 2 392.481 1.648 1 0 GDAFLO