smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)Nc1ccc(Nc2[nH+]c3ccccc3n2-c2nc(C)nc(N)n2)cc1 ZINC000071317108 205281141 /nfs/dbraw/zinc/28/11/41/205281141.db2.gz LYZVYVLSMGRTPB-UHFFFAOYSA-N 1 2 389.423 2.596 1 0 GFAFLO CON=C(N)c1ccc(-c2ncc(-c3ccc(C(N)=[NH+]OC)cc3)cn2)cc1 ZINC000036476207 205017137 /nfs/dbraw/zinc/01/71/37/205017137.db2.gz QRECYEDQUSLIJO-UHFFFAOYSA-N 1 2 376.420 2.763 1 0 GFAFLO Cc1nocc1S(=O)(=O)N1CCc2c([nH+]c(CC(C)(C)C)n2CC2CC2)C1 ZINC000043024169 205081498 /nfs/dbraw/zinc/08/14/98/205081498.db2.gz QRZXOQNNWGAWKP-UHFFFAOYSA-N 1 2 392.525 2.925 1 0 GFAFLO COc1cc2c(cc1OC)[C@@H]1O[C@H](O)c3c4c(ccc3[C@@H]1[N@H+](C)CC2)OCO4 ZINC000100771616 571814146 /nfs/dbraw/zinc/81/41/46/571814146.db2.gz XYWRZQQANNOTTD-ZJOUEHCJSA-N 1 2 385.416 2.724 1 0 endogenous,in-man GFAFLO COc1cc2c(cc1OC)[C@@H]1O[C@H](O)c3c4c(ccc3[C@@H]1[N@@H+](C)CC2)OCO4 ZINC000100771616 571814148 /nfs/dbraw/zinc/81/41/48/571814148.db2.gz XYWRZQQANNOTTD-ZJOUEHCJSA-N 1 2 385.416 2.724 1 0 endogenous,in-man GFAFLO Cc1ccc(C23C[C@H]4C[C@H](CC(C(=O)N5CC[NH+](CCO)CC5)(C4)C2)C3)cc1 ZINC000028896396 581091282 /nfs/dbraw/zinc/09/12/82/581091282.db2.gz ZKIZNVPLEOOMPU-TUUBTQOTSA-N 1 2 382.548 2.970 1 0 GFAFLO Cc1ccc(Cn2nnnc2C[NH+]2CCC(n3nnc4ccccc43)CC2)cc1 ZINC000004383591 204042514 /nfs/dbraw/zinc/04/25/14/204042514.db2.gz WRYKRCYBGZYEDV-UHFFFAOYSA-N 1 2 388.479 2.612 3 0 GFAFLO C/C=C(\C)C(=O)O[C@@H]1C[N@H+](C)CC[C@@H]1c1c(O)cc(=O)c2c(O)cc(C)oc1-2 ZINC000049018957 205125949 /nfs/dbraw/zinc/12/59/49/205125949.db2.gz DSBBHVSUDLJUOE-ZKYNRCFLSA-N 1 2 387.432 2.810 1 0 GFAFLO C/C=C(\C)C(=O)O[C@@H]1C[N@@H+](C)CC[C@@H]1c1c(O)cc(=O)c2c(O)cc(C)oc1-2 ZINC000049018957 205125954 /nfs/dbraw/zinc/12/59/54/205125954.db2.gz DSBBHVSUDLJUOE-ZKYNRCFLSA-N 1 2 387.432 2.810 1 0 GFAFLO O=C(C[N@@H+]1CCCN(Cc2nc3ccccc3[nH]2)CC1)Nc1ccc(F)cc1 ZINC000049114683 205127337 /nfs/dbraw/zinc/12/73/37/205127337.db2.gz PVUIHTLBOLQALR-UHFFFAOYSA-N 1 2 381.455 2.848 1 0 GFAFLO O=C(C[N@H+]1CCCN(Cc2nc3ccccc3[nH]2)CC1)Nc1ccc(F)cc1 ZINC000049114683 205127343 /nfs/dbraw/zinc/12/73/43/205127343.db2.gz PVUIHTLBOLQALR-UHFFFAOYSA-N 1 2 381.455 2.848 1 0 GFAFLO O=C(CN1CCC[N@H+](Cc2nc3ccccc3[nH]2)CC1)Nc1ccc(F)cc1 ZINC000049114683 205127347 /nfs/dbraw/zinc/12/73/47/205127347.db2.gz PVUIHTLBOLQALR-UHFFFAOYSA-N 1 2 381.455 2.848 1 0 GFAFLO O=C(CN1CCC[N@@H+](Cc2nc3ccccc3[nH]2)CC1)Nc1ccc(F)cc1 ZINC000049114683 205127351 /nfs/dbraw/zinc/12/73/51/205127351.db2.gz PVUIHTLBOLQALR-UHFFFAOYSA-N 1 2 381.455 2.848 1 0 GFAFLO CC(C)(C)n1nnnc1C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)Nc1ccccc1)C2 ZINC000004410579 204044615 /nfs/dbraw/zinc/04/46/15/204044615.db2.gz XQIQQLOYGWJBCC-ALOPSCKCSA-N 1 2 383.500 2.745 1 0 GFAFLO CC(C)(C)n1nnnc1C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)Nc1ccccc1)C2 ZINC000004410579 204044619 /nfs/dbraw/zinc/04/46/19/204044619.db2.gz XQIQQLOYGWJBCC-ALOPSCKCSA-N 1 2 383.500 2.745 1 0 GFAFLO Cc1ccc(Cl)c(N2C(=O)C(Cl)=C(N3CC[NH+](C)CC3)C2=O)c1Cl ZINC000064528073 222072072 /nfs/dbraw/zinc/07/20/72/222072072.db2.gz FOCUDMADBACNHZ-UHFFFAOYSA-N 1 2 388.682 2.873 1 0 GFAFLO CNC(=O)N1CCC[C@H]([C@@H](C)Nc2nc(-n3cnc4ccccc43)cc[nH+]2)C1 ZINC000045320844 581097456 /nfs/dbraw/zinc/09/74/56/581097456.db2.gz GUANBVMXZMYPLN-CABCVRRESA-N 1 2 379.468 2.667 1 0 GFAFLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12 ZINC000045314693 205094595 /nfs/dbraw/zinc/09/45/95/205094595.db2.gz DXJFDXSNQHSZNE-IBGZPJMESA-N 1 2 378.428 2.822 1 0 GFAFLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12 ZINC000045314693 205094597 /nfs/dbraw/zinc/09/45/97/205094597.db2.gz DXJFDXSNQHSZNE-IBGZPJMESA-N 1 2 378.428 2.822 1 0 GFAFLO COc1cc2c(cc1OC)[C@@H](O)[C@@H]1c3c(c(OC)c4c(c3-2)OCO4)CC[N@H+]1C ZINC000045506634 205097974 /nfs/dbraw/zinc/09/79/74/205097974.db2.gz INORIHCJQBEOOS-ZWKOTPCHSA-N 1 2 385.416 2.684 1 0 GFAFLO COc1cc2c(cc1OC)[C@@H](O)[C@@H]1c3c(c(OC)c4c(c3-2)OCO4)CC[N@@H+]1C ZINC000045506634 205097978 /nfs/dbraw/zinc/09/79/78/205097978.db2.gz INORIHCJQBEOOS-ZWKOTPCHSA-N 1 2 385.416 2.684 1 0 GFAFLO CC[C@H]1Nc2[nH+]cnc(N3CCOCC3)c2N(Cc2ccc(Cl)cc2)C1=O ZINC000061959666 136156286 /nfs/dbraw/zinc/15/62/86/136156286.db2.gz IMBUNDYSCNDKQC-OAHLLOKOSA-N 1 2 387.871 2.704 3 0 GFAFLO Nc1nc2c(c(-c3ccc(F)cc3)n1)C(=O)c1cccc(C[NH+]3CCOCC3)c1-2 ZINC000049051388 205124954 /nfs/dbraw/zinc/12/49/54/205124954.db2.gz OZBIBCLIRXCJSR-UHFFFAOYSA-N 1 2 390.418 2.909 1 0 GFAFLO Cc1c2c(OCc3ccccn3)cc(O)cc2oc(=O)c1N1CC[NH+](C)CC1 ZINC000096911659 136187813 /nfs/dbraw/zinc/18/78/13/136187813.db2.gz CRKFOGWCRGRZHY-UHFFFAOYSA-N 1 2 381.432 2.533 1 0 GFAFLO CC[C@@H](c1nnnn1-c1ccc2c(c1)OCCO2)[N@@H+]1CCc2ccccc2C1 ZINC000095570565 208234683 /nfs/dbraw/zinc/23/46/83/208234683.db2.gz IKMZHCPEAGYFNM-SFHVURJKSA-N 1 2 377.448 2.943 3 0 GFAFLO CC[C@@H](c1nnnn1-c1ccc2c(c1)OCCO2)[N@H+]1CCc2ccccc2C1 ZINC000095570565 208234690 /nfs/dbraw/zinc/23/46/90/208234690.db2.gz IKMZHCPEAGYFNM-SFHVURJKSA-N 1 2 377.448 2.943 3 0 GFAFLO Cc1c(Cl)ccc2cc3c(nc21)SC(=NCC[NH+]1CCOCC1)NN=C3 ZINC000098085386 208366936 /nfs/dbraw/zinc/36/69/36/208366936.db2.gz DVUYUIPCIXWDGF-UHFFFAOYSA-N 1 2 389.912 2.914 1 0 GFAFLO C[NH+]1CCN(c2ccc3[nH]nc(S(=O)(=O)c4ccc(Cl)cc4)c3c2)CC1 ZINC000064448103 136156686 /nfs/dbraw/zinc/15/66/86/136156686.db2.gz DQNLEFXARPCXPX-UHFFFAOYSA-N 1 2 390.896 2.801 1 0 GFAFLO C/C=C1\CO[C@](C(=O)NCC[NH+]2CCOCC2)(C(F)(F)F)C=C1C=C(C)C ZINC000013828926 207001360 /nfs/dbraw/zinc/00/13/60/207001360.db2.gz ONQKJHIYDLSEGV-FXZAEMTOSA-N 1 2 388.430 2.605 1 0 GFAFLO O=c1[nH]c2c(c3nc(-c4ccccc4F)nn31)C[N@@H+](Cc1ccncc1)CC2 ZINC000013824530 207000878 /nfs/dbraw/zinc/00/08/78/207000878.db2.gz XIVPDGOHYSPICX-UHFFFAOYSA-N 1 2 376.395 2.589 1 0 GFAFLO O=c1[nH]c2c(c3nc(-c4ccccc4F)nn31)C[N@H+](Cc1ccncc1)CC2 ZINC000013824530 207000883 /nfs/dbraw/zinc/00/08/83/207000883.db2.gz XIVPDGOHYSPICX-UHFFFAOYSA-N 1 2 376.395 2.589 1 0 GFAFLO C[NH+](C)[C@@H](C1C(=O)[C@H](c2ccccc2)N(c2ccccc2)C1=O)N1CCOCC1 ZINC000095549434 208232677 /nfs/dbraw/zinc/23/26/77/208232677.db2.gz MQHUSMJMGDZPKD-RBBKRZOGSA-N 1 2 393.487 2.807 1 0 GFAFLO COC(=O)c1ccc2ccccc2c1CCCn1c[nH+]c2c1NC=NC[C@H]2O ZINC000013807730 207001145 /nfs/dbraw/zinc/00/11/45/207001145.db2.gz MIKPTUCVJMIOKY-GOSISDBHSA-N 1 2 378.432 2.943 1 0 GFAFLO C[N@@H+]1CC[C@@H](c2c(O)cc(=O)c3c(O)cc(Nc4ccccc4)oc2-3)[C@@H](O)C1 ZINC000014945075 207033813 /nfs/dbraw/zinc/03/38/13/207033813.db2.gz BAKDMSIYUPKGBK-CXQSCINTSA-N 1 2 382.416 2.562 1 0 GFAFLO C[N@H+]1CC[C@@H](c2c(O)cc(=O)c3c(O)cc(Nc4ccccc4)oc2-3)[C@@H](O)C1 ZINC000014945075 207033826 /nfs/dbraw/zinc/03/38/26/207033826.db2.gz BAKDMSIYUPKGBK-CXQSCINTSA-N 1 2 382.416 2.562 1 0 GFAFLO C[N@@H+]1CC[C@@H](c2c(=O)cc(O)c3c(O)cc(Nc4ccccc4)oc2-3)[C@@H](O)C1 ZINC000014945075 207033831 /nfs/dbraw/zinc/03/38/31/207033831.db2.gz BAKDMSIYUPKGBK-CXQSCINTSA-N 1 2 382.416 2.562 1 0 GFAFLO C[N@H+]1CC[C@@H](c2c(=O)cc(O)c3c(O)cc(Nc4ccccc4)oc2-3)[C@@H](O)C1 ZINC000014945075 207033833 /nfs/dbraw/zinc/03/38/33/207033833.db2.gz BAKDMSIYUPKGBK-CXQSCINTSA-N 1 2 382.416 2.562 1 0 GFAFLO CN(C)P1(N(C)C)=[NH+][P@@](N(C)C)(N2CC2)=N[P@](N(C)C)(N2CC2)=N1 ZINC000028762848 207347996 /nfs/dbraw/zinc/34/79/96/207347996.db2.gz HYMWZDYKQJWHKR-DNQXCXABSA-N 1 2 395.373 2.716 1 0 GFAFLO CN1CCC(=O)[C@]2(C1)[C@@H](c1cccc(F)c1)C[N@H+](C)[C@]21c2ccccc2NC1=O ZINC000096903839 208328056 /nfs/dbraw/zinc/32/80/56/208328056.db2.gz NIMGFLSUXXNOGP-LEOXJPRUSA-N 1 2 393.462 2.593 1 0 GFAFLO CN1CCC(=O)[C@]2(C1)[C@@H](c1cccc(F)c1)C[N@@H+](C)[C@]21c2ccccc2NC1=O ZINC000096903839 208328062 /nfs/dbraw/zinc/32/80/62/208328062.db2.gz NIMGFLSUXXNOGP-LEOXJPRUSA-N 1 2 393.462 2.593 1 0 GFAFLO Cc1cc2nc(N3CCOCC3)n(-c3ccc4c(N)nc(N)[nH+]c4c3)c2cc1C ZINC000103247284 208420608 /nfs/dbraw/zinc/42/06/08/208420608.db2.gz UXCJAAPGWFJWPY-UHFFFAOYSA-N 1 2 389.463 2.587 1 0 GFAFLO C[C@@H](c1ccccc1)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[NH2+]CC3)cc21 ZINC000027625235 207328966 /nfs/dbraw/zinc/32/89/66/207328966.db2.gz PUNXMKKGIPMHLR-AWEZNQCLSA-N 1 2 395.434 2.858 1 0 GFAFLO C[NH+](C)[C@H](C1C(=O)[C@H](c2ccccc2)N(c2ccccc2)C1=O)N1CCOCC1 ZINC000095549435 208232931 /nfs/dbraw/zinc/23/29/31/208232931.db2.gz MQHUSMJMGDZPKD-UNMCSNQZSA-N 1 2 393.487 2.807 1 0 GFAFLO Fc1cccc(C[NH+]2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1F ZINC000095605551 136182524 /nfs/dbraw/zinc/18/25/24/136182524.db2.gz DZXZQRMALFTZJB-UHFFFAOYSA-N 1 2 398.339 2.744 1 0 GFAFLO C[C@]1(c2cc(NC(=O)c3ncc(Cl)cn3)ccc2F)NC(=[NH2+])OCC1(F)F ZINC000095604170 222359390 /nfs/dbraw/zinc/35/93/90/222359390.db2.gz CZXDOHMWCZCKBD-OAHLLOKOSA-N 1 2 399.760 2.717 1 0 GFAFLO CCOC(=O)c1cc(CCn2c[nH+]c3c2NC=NC[C@@H]3O)c2c(c1)CCCC2 ZINC000013861944 210096070 /nfs/dbraw/zinc/09/60/70/210096070.db2.gz CNOMRJLBANYXCZ-SFHVURJKSA-N 1 2 382.464 2.669 1 0 GFAFLO CO[C@@H]1Cc2ccccc2N(C(=O)N2CC[NH+](CCO)CC2)c2ccccc21 ZINC000020790539 210361908 /nfs/dbraw/zinc/36/19/08/210361908.db2.gz VIXOPDYUZNXBCD-OAQYLSRUSA-N 1 2 381.476 2.798 3 0 GFAFLO CO[C@H]1CC[N@H+](Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1 ZINC000084669823 211172412 /nfs/dbraw/zinc/17/24/12/211172412.db2.gz YANNSWWYRMATEM-JTQLQIEISA-N 1 2 378.226 2.653 1 0 GFAFLO CO[C@H]1CC[N@@H+](Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1 ZINC000084669823 211172415 /nfs/dbraw/zinc/17/24/15/211172415.db2.gz YANNSWWYRMATEM-JTQLQIEISA-N 1 2 378.226 2.653 1 0 GFAFLO COc1ccccc1N1CC[NH+](CCNC(=O)c2nsc3ccccc32)CC1 ZINC000053127457 136177663 /nfs/dbraw/zinc/17/76/63/136177663.db2.gz FXWOSRWSZZCAGJ-UHFFFAOYSA-N 1 2 396.516 2.857 1 0 GFAFLO O=C1[C@H]2CCCCN2C(=O)N1C[NH+]1CCN(c2cccc3ccccc32)CC1 ZINC000013489208 210062789 /nfs/dbraw/zinc/06/27/89/210062789.db2.gz ZQFGUYSBGPXRKA-HXUWFJFHSA-N 1 2 378.476 2.736 1 0 GFAFLO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000011935873 221139716 /nfs/dbraw/zinc/13/97/16/221139716.db2.gz SJCGBADGOHLVAZ-UHFFFAOYSA-N 1 2 380.452 2.704 3 0 GFAFLO c1ccc(C[N@@H+]2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)nc1 ZINC000015779248 210170012 /nfs/dbraw/zinc/17/00/12/210170012.db2.gz UXBGLLVYSWMTDX-UHFFFAOYSA-N 1 2 375.432 2.945 1 0 GFAFLO c1ccc(C[N@H+]2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)nc1 ZINC000015779248 210170018 /nfs/dbraw/zinc/17/00/18/210170018.db2.gz UXBGLLVYSWMTDX-UHFFFAOYSA-N 1 2 375.432 2.945 1 0 GFAFLO O=C(NC1CCCCCC1)c1cc2ccccc2n(CC[NH+]2CCOCC2)c1=O ZINC000084617550 211171446 /nfs/dbraw/zinc/17/14/46/211171446.db2.gz UZQMKLSTQCCQDT-UHFFFAOYSA-N 1 2 397.519 2.786 1 0 GFAFLO C[NH+]1CCN(c2ccc3[nH]nc(S(=O)(=O)c4ccccc4Cl)c3c2)CC1 ZINC000064447580 136156721 /nfs/dbraw/zinc/15/67/21/136156721.db2.gz VRVOIROEETWTTF-UHFFFAOYSA-N 1 2 390.896 2.801 1 0 GFAFLO Cc1[nH+]ccn1-c1nc(-c2ccc(C)c3[nH]ccc32)nc(N2CCOCC2)n1 ZINC000073224568 136171471 /nfs/dbraw/zinc/17/14/71/136171471.db2.gz JNFCYFOVXWKHNQ-UHFFFAOYSA-N 1 2 375.436 2.659 1 0 GFAFLO CCc1[nH+]ccn1-c1nc(-c2cccc3[nH]ccc32)nc(N2CCOCC2)n1 ZINC000073224566 136171493 /nfs/dbraw/zinc/17/14/93/136171493.db2.gz KSXKHJWAISWHSH-UHFFFAOYSA-N 1 2 375.436 2.605 1 0 GFAFLO C[NH+](C)[C@H](C1C(=O)[C@@H](c2ccccc2)N(c2ccccc2)C1=O)N1CCOCC1 ZINC000019318950 210239400 /nfs/dbraw/zinc/23/94/00/210239400.db2.gz MQHUSMJMGDZPKD-IRLDBZIGSA-N 1 2 393.487 2.807 1 0 GFAFLO COc1cc(-c2cn([C@H]3CC(C)(C)CCNC3=O)nn2)ccc1-n1c[nH+]c(C)c1 ZINC000084633622 211172319 /nfs/dbraw/zinc/17/23/19/211172319.db2.gz TZFGTKRUKLTQQK-SFHVURJKSA-N 1 2 394.479 2.925 1 0 GFAFLO Cc1ccc(CN2C(=O)[C@@H](CC(C)C)Nc3[nH+]cnc(N4CCOCC4)c32)cc1 ZINC000061959678 136156156 /nfs/dbraw/zinc/15/61/56/136156156.db2.gz BPIKNRIPVICKFE-GOSISDBHSA-N 1 2 395.507 2.995 3 0 GFAFLO COc1cc2c(cc1OC)[C@@H]1O[C@@H](O)c3c4c(ccc3[C@@H]1[N@H+](C)CC2)OCO4 ZINC000015257511 571737894 /nfs/dbraw/zinc/73/78/94/571737894.db2.gz XYWRZQQANNOTTD-IRFCIJBXSA-N 1 2 385.416 2.724 1 0 endogenous,in-man GFAFLO COc1cc2c(cc1OC)[C@@H]1O[C@@H](O)c3c4c(ccc3[C@@H]1[N@@H+](C)CC2)OCO4 ZINC000015257511 571737897 /nfs/dbraw/zinc/73/78/97/571737897.db2.gz XYWRZQQANNOTTD-IRFCIJBXSA-N 1 2 385.416 2.724 1 0 endogenous,in-man GFAFLO COc1cc2c(cc1OC)[C@H]1O[C@H](O)c3c4c(ccc3[C@@H]1[N@H+](C)CC2)OCO4 ZINC000100771617 571814032 /nfs/dbraw/zinc/81/40/32/571814032.db2.gz XYWRZQQANNOTTD-ZVDOUQERSA-N 1 2 385.416 2.724 1 0 endogenous,in-man GFAFLO COc1cc2c(cc1OC)[C@H]1O[C@H](O)c3c4c(ccc3[C@@H]1[N@@H+](C)CC2)OCO4 ZINC000100771617 571814036 /nfs/dbraw/zinc/81/40/36/571814036.db2.gz XYWRZQQANNOTTD-ZVDOUQERSA-N 1 2 385.416 2.724 1 0 endogenous,in-man GFAFLO CC(C)C[C@H]1Nc2[nH+]cnc(N3CCOCC3)c2N(Cc2ccccc2)C1=O ZINC000061959699 136156261 /nfs/dbraw/zinc/15/62/61/136156261.db2.gz JXSVZYKHJHDEPQ-QGZVFWFLSA-N 1 2 381.480 2.687 3 0 GFAFLO CS(=O)(=O)c1ccc2nc(-n3cc[nH+]c3)nc(NCc3ccccc3)c2c1 ZINC000013743207 210088763 /nfs/dbraw/zinc/08/87/63/210088763.db2.gz YZZFDPDWVRCWQB-UHFFFAOYSA-N 1 2 379.445 2.831 1 0 GFAFLO O=C1C[C@@]2(CCc3ccccc3C2)C(=O)N1C[NH+]1CCN(c2ccccc2)CC1 ZINC000064417407 136156700 /nfs/dbraw/zinc/15/67/00/136156700.db2.gz XFNNCQQSCAZKEO-DEOSSOPVSA-N 1 2 389.499 2.700 1 0 GFAFLO COc1ccc(N2C(=O)[C@H]3[C@H](C(=O)c4ccccc4)[N@H+]4CCC[C@H]4[C@@H]3C2=O)cc1 ZINC000013136465 221262016 /nfs/dbraw/zinc/26/20/16/221262016.db2.gz NMGOVUSWQPVCMX-VNTMZGSJSA-N 1 2 390.439 2.530 1 0 GFAFLO COc1ccc(N2C(=O)[C@H]3[C@H](C(=O)c4ccccc4)[N@@H+]4CCC[C@H]4[C@@H]3C2=O)cc1 ZINC000013136465 221262017 /nfs/dbraw/zinc/26/20/17/221262017.db2.gz NMGOVUSWQPVCMX-VNTMZGSJSA-N 1 2 390.439 2.530 1 0 GFAFLO O=c1[nH]c2c(c3nc(-c4ccccc4F)nn31)C[N@@H+](Cc1ccccn1)CC2 ZINC000013824526 221290408 /nfs/dbraw/zinc/29/04/08/221290408.db2.gz RGQYOJCMYKYGTC-UHFFFAOYSA-N 1 2 376.395 2.589 1 0 GFAFLO O=c1[nH]c2c(c3nc(-c4ccccc4F)nn31)C[N@H+](Cc1ccccn1)CC2 ZINC000013824526 221290410 /nfs/dbraw/zinc/29/04/10/221290410.db2.gz RGQYOJCMYKYGTC-UHFFFAOYSA-N 1 2 376.395 2.589 1 0 GFAFLO CN(C(=O)N1Cc2[nH+]cn(Cc3ccccc3)c2C[C@H]1CO)c1ccccc1 ZINC000013446933 221269354 /nfs/dbraw/zinc/26/93/54/221269354.db2.gz ODMKKGACLNICLL-IBGZPJMESA-N 1 2 376.460 2.907 1 0 GFAFLO C[C@@H]1NC(c2ccc(=O)n(C)c2)=[NH+][C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 ZINC000071281292 222178057 /nfs/dbraw/zinc/17/80/57/222178057.db2.gz BDYBUJFDECYUHB-ZSEKCTLFSA-N 1 2 380.398 2.741 1 0 GFAFLO O=C1c2ccccc2C(=O)N1CC[NH+]1CCN(c2nsc3ccccc32)CC1 ZINC000013745246 221286458 /nfs/dbraw/zinc/28/64/58/221286458.db2.gz LTPDXYAZMVAPFX-UHFFFAOYSA-N 1 2 392.484 2.715 1 0 GFAFLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)OCCO3)C[C@@H]1c1nc2ccccc2[nH]1 ZINC000084704310 222322184 /nfs/dbraw/zinc/32/21/84/222322184.db2.gz WJZXLGBXZRBBHC-CRAIPNDOSA-N 1 2 392.459 2.899 1 0 GFAFLO C[N@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)OCCO3)C[C@@H]1c1nc2ccccc2[nH]1 ZINC000084704310 222322188 /nfs/dbraw/zinc/32/21/88/222322188.db2.gz WJZXLGBXZRBBHC-CRAIPNDOSA-N 1 2 392.459 2.899 1 0 GFAFLO Cc1cc2oc3c(nc(C[N@@H+]4CC[C@H](O)C4)[nH]c3=O)c2cc1Br ZINC000084669517 222319729 /nfs/dbraw/zinc/31/97/29/222319729.db2.gz CGLCQOJIDHILHH-VIFPVBQESA-N 1 2 378.226 2.719 1 0 GFAFLO Cc1cc2oc3c(nc(C[N@H+]4CC[C@H](O)C4)[nH]c3=O)c2cc1Br ZINC000084669517 222319733 /nfs/dbraw/zinc/31/97/33/222319733.db2.gz CGLCQOJIDHILHH-VIFPVBQESA-N 1 2 378.226 2.719 1 0 GFAFLO C=CC(=O)N1CCC[C@@H](n2nc(-c3ccnc4ccccc43)c3c2nc[nH+]c3N)C1 ZINC000095574436 222356411 /nfs/dbraw/zinc/35/64/11/222356411.db2.gz PAINXDCXIGAJQR-CQSZACIVSA-N 1 2 399.458 2.973 1 0 GFAFLO C=CC(=O)N1CCC[C@@H](n2nc(-c3cnc4ccccc4c3)c3c2nc[nH+]c3N)C1 ZINC000095572805 222356660 /nfs/dbraw/zinc/35/66/60/222356660.db2.gz NGDZQUCMKGSODW-MRXNPFEDSA-N 1 2 399.458 2.973 1 0 GFAFLO CNC(=O)N1CCC[C@@H]([C@H](C)Nc2nc(-n3cnc4ccccc43)cc[nH+]2)C1 ZINC000045320832 581097372 /nfs/dbraw/zinc/09/73/72/581097372.db2.gz GUANBVMXZMYPLN-LSDHHAIUSA-N 1 2 379.468 2.667 1 0 GFAFLO COc1ccccc1N1CC[NH+](Cc2c[nH]c3c4ccccc4nc(=O)n23)CC1 ZINC000013780710 221288412 /nfs/dbraw/zinc/28/84/12/221288412.db2.gz DUNKRRVDFBTVDR-UHFFFAOYSA-N 1 2 389.459 2.919 1 0 GFAFLO CC(C)Nc1[nH+]c2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1F ZINC000003823456 204019424 /nfs/dbraw/zinc/01/94/24/204019424.db2.gz AADWXNSPSUHKKF-AAVRWANBSA-N 1 2 378.231 2.752 1 0 GFAFLO COc1ccc(-n2ccnc2C[NH+]2CCC(n3nccc3NC(C)=O)CC2)cc1 ZINC000012305429 204393910 /nfs/dbraw/zinc/39/39/10/204393910.db2.gz KUIVBBWITAPISQ-UHFFFAOYSA-N 1 2 394.479 2.873 1 0 GFAFLO CS(=O)(=O)NC1CC[NH+]([C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000072103652 205303077 /nfs/dbraw/zinc/30/30/77/205303077.db2.gz IVXZGODDVVFFQJ-SFHVURJKSA-N 1 2 379.913 2.838 1 0 GFAFLO CC[C@@H]1Nc2[nH+]cnc(N3CCOCC3)c2N(Cc2ccc(Cl)cc2)C1=O ZINC000061959667 535927194 /nfs/dbraw/zinc/92/71/94/535927194.db2.gz IMBUNDYSCNDKQC-HNNXBMFYSA-N 1 2 387.871 2.704 3 0 GFAFLO C[NH2+]C[C@@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)(C)C)C1 ZINC000005834240 204152972 /nfs/dbraw/zinc/15/29/72/204152972.db2.gz BOPMLFWOGKLFMW-LBPRGKRZSA-N 1 2 375.444 2.640 1 0 GFAFLO CNC(=O)N1CCC[C@@H]([C@@H](C)Nc2nc(-n3cnc4ccccc43)cc[nH+]2)C1 ZINC000045320836 581097434 /nfs/dbraw/zinc/09/74/34/581097434.db2.gz GUANBVMXZMYPLN-HUUCEWRRSA-N 1 2 379.468 2.667 1 0 GFAFLO C[NH+]1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc(Cl)c4)c3c2)CC1 ZINC000003820941 204019560 /nfs/dbraw/zinc/01/95/60/204019560.db2.gz UYWKZOUISPSVHR-UHFFFAOYSA-N 1 2 390.896 2.801 1 0 GFAFLO COc1ccc(-c2cc(-c3ccc(S(=O)(=O)NC4CC4)cc3)c[nH+]c2N)cn1 ZINC000095575796 205499400 /nfs/dbraw/zinc/49/94/00/205499400.db2.gz DCOOJMBFLSZUEL-UHFFFAOYSA-N 1 2 396.472 2.842 1 0 GFAFLO Cc1noc(C)c1S(=O)(=O)N1CCc2c([nH+]c(C(C)(C)C)n2CC2CC2)C1 ZINC000043080725 205081549 /nfs/dbraw/zinc/08/15/49/205081549.db2.gz CSUCQZQGBNFLTM-UHFFFAOYSA-N 1 2 392.525 2.942 1 0 GFAFLO COc1cc(-c2cn([C@@H]3CC(C)(C)CCNC3=O)nn2)ccc1-n1c[nH+]c(C)c1 ZINC000084633620 205396920 /nfs/dbraw/zinc/39/69/20/205396920.db2.gz TZFGTKRUKLTQQK-GOSISDBHSA-N 1 2 394.479 2.925 1 0 GFAFLO O=C(CN1CCC[N@H+](Cc2nc3ccccc3[nH]2)CC1)Nc1ccccc1F ZINC000049088901 205125209 /nfs/dbraw/zinc/12/52/09/205125209.db2.gz AFRZZUAHLZKARG-UHFFFAOYSA-N 1 2 381.455 2.848 1 0 GFAFLO O=C(CN1CCC[N@@H+](Cc2nc3ccccc3[nH]2)CC1)Nc1ccccc1F ZINC000049088901 205125212 /nfs/dbraw/zinc/12/52/12/205125212.db2.gz AFRZZUAHLZKARG-UHFFFAOYSA-N 1 2 381.455 2.848 1 0 GFAFLO CCCc1[nH+]c(C)c2c(N(C(=O)OC)C(=O)OC)nc3ccc(OC)nc3n12 ZINC000049034641 205126170 /nfs/dbraw/zinc/12/61/70/205126170.db2.gz PEQGFUKWBJHWJI-UHFFFAOYSA-N 1 2 387.396 2.886 1 0 GFAFLO Nc1nc(C(F)(F)F)cc2c1[nH]c(=O)n2Cc1ccc(NCC2CC2)[nH+]c1 ZINC000084632373 205398038 /nfs/dbraw/zinc/39/80/38/205398038.db2.gz JKAXKITVVFSIQF-UHFFFAOYSA-N 1 2 378.358 2.591 1 0 GFAFLO COc1cc2c(cc1OC)C(=O)[C@H](CN1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000021288911 207228860 /nfs/dbraw/zinc/22/88/60/207228860.db2.gz DNXZKFJJHLQENJ-IBGZPJMESA-N 1 2 380.488 2.877 1 0 GFAFLO O=c1n(CCC[NH+]2CCOCC2)nc2n1-c1ccc3ccccc3c1SC2 ZINC000031897381 207389004 /nfs/dbraw/zinc/38/90/04/207389004.db2.gz LHWDEJCFTYTPSW-UHFFFAOYSA-N 1 2 382.489 2.515 1 0 GFAFLO C[NH+]1CCN(C(=O)n2oc(=O)c(-c3ccc(F)cc3)c2-c2ccncc2)CC1 ZINC000028523774 207344100 /nfs/dbraw/zinc/34/41/00/207344100.db2.gz ITSDNNIFOOKUEO-UHFFFAOYSA-N 1 2 382.395 2.525 1 0 GFAFLO Ic1ccc(CCC2(Cn3cc[nH+]c3)OCCO2)cc1 ZINC000028648004 207346630 /nfs/dbraw/zinc/34/66/30/207346630.db2.gz WTDMNEAQDCUYSH-UHFFFAOYSA-N 1 2 384.217 2.864 1 0 GFAFLO O=C(NCc1ccc(S(=O)(=O)c2cccnc2)cc1)c1cc2c[nH+]ccc2[nH]1 ZINC000096282769 208302020 /nfs/dbraw/zinc/30/20/20/208302020.db2.gz JPVFMZPYWKTHTC-UHFFFAOYSA-N 1 2 392.440 2.721 1 0 GFAFLO COc1ccc(C(=O)Nc2ccc(F)c([C@@]3(C)NC(=[NH2+])OCC3(F)F)c2)nc1 ZINC000095603945 222359364 /nfs/dbraw/zinc/35/93/64/222359364.db2.gz HNRVVAHVDIBECJ-QGZVFWFLSA-N 1 2 394.353 2.677 1 0 GFAFLO C[NH+](C)Cc1nnc2n1-c1ccc(Br)cc1C(c1ccccn1)=NC2 ZINC000027324182 207324573 /nfs/dbraw/zinc/32/45/73/207324573.db2.gz HPMRAOUUNSIMDM-UHFFFAOYSA-N 1 2 397.280 2.837 1 0 GFAFLO CN(C)P1(N(C)C)=NP(N2CC2)(N2CC2)=NP(N(C)C)(N(C)C)=[NH+]1 ZINC000028762821 207348332 /nfs/dbraw/zinc/34/83/32/207348332.db2.gz XVPFFQVWQMBEBL-UHFFFAOYSA-N 1 2 395.373 2.716 1 0 GFAFLO CN(C)P1(N(C)C)=NP(N(C)C)(N(C)C)=[NH+]P(N2CC2)(N2CC2)=N1 ZINC000028762821 207348335 /nfs/dbraw/zinc/34/83/35/207348335.db2.gz XVPFFQVWQMBEBL-UHFFFAOYSA-N 1 2 395.373 2.716 1 0 GFAFLO O=C1C[C@]2(CCc3ccccc3C2)C(=O)N1C[NH+]1CCN(c2ccccc2)CC1 ZINC000064417404 136156688 /nfs/dbraw/zinc/15/66/88/136156688.db2.gz XFNNCQQSCAZKEO-XMMPIXPASA-N 1 2 389.499 2.700 1 0 GFAFLO CC(C)C[C@@H]1Nc2[nH+]cnc(N3CCOCC3)c2N(Cc2ccccc2)C1=O ZINC000061959700 535292144 /nfs/dbraw/zinc/29/21/44/535292144.db2.gz JXSVZYKHJHDEPQ-KRWDZBQOSA-N 1 2 381.480 2.687 3 0 GFAFLO COC(=O)c1ccc2ccccc2c1CCCn1c[nH+]c2c1NC=NC[C@@H]2O ZINC000013807728 207001780 /nfs/dbraw/zinc/00/17/80/207001780.db2.gz MIKPTUCVJMIOKY-SFHVURJKSA-N 1 2 378.432 2.943 1 0 GFAFLO CN(C)P1(N(C)C)=[NH+][P@](N(C)C)(N2CC2)=N[P@](N(C)C)(N2CC2)=N1 ZINC000028762938 207347518 /nfs/dbraw/zinc/34/75/18/207347518.db2.gz HYMWZDYKQJWHKR-PSWAGMNNSA-N 1 2 395.373 2.716 1 0 GFAFLO C[NH+](C)[C@@H](C1C(=O)[C@@H](c2ccccc2)N(c2ccccc2)C1=O)N1CCOCC1 ZINC000019328756 207115697 /nfs/dbraw/zinc/11/56/97/207115697.db2.gz MQHUSMJMGDZPKD-IFMALSPDSA-N 1 2 393.487 2.807 1 0 GFAFLO CCc1cnc(N2CC[NH+](Cc3cc(O)ccc3Br)CC2)nc1 ZINC000066075960 536059663 /nfs/dbraw/zinc/05/96/63/536059663.db2.gz QKMFYRHRVWMQKT-UHFFFAOYSA-N 1 2 377.286 2.829 1 0 GFAFLO Cn1c(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc2sccc21 ZINC000019289986 210237977 /nfs/dbraw/zinc/23/79/77/210237977.db2.gz LOZOQGDEHUCJDO-UHFFFAOYSA-N 1 2 383.473 2.927 3 0 GFAFLO O=c1[nH]c2c(c3nc(-c4ccccc4F)nn31)C[N@@H+](Cc1cccnc1)CC2 ZINC000013824528 210093657 /nfs/dbraw/zinc/09/36/57/210093657.db2.gz SUYHOIJUOMGGML-UHFFFAOYSA-N 1 2 376.395 2.589 1 0 GFAFLO O=c1[nH]c2c(c3nc(-c4ccccc4F)nn31)C[N@H+](Cc1cccnc1)CC2 ZINC000013824528 210093661 /nfs/dbraw/zinc/09/36/61/210093661.db2.gz SUYHOIJUOMGGML-UHFFFAOYSA-N 1 2 376.395 2.589 1 0 GFAFLO CCCCn1c2ccccc2c(O)c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1=O ZINC000100743224 211390551 /nfs/dbraw/zinc/39/05/51/211390551.db2.gz WGDQFZMBDVNRCW-MQVJKMGUSA-N 1 2 383.492 2.862 1 0 GFAFLO CCCCn1c2ccccc2c(O)c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1=O ZINC000100743224 211390555 /nfs/dbraw/zinc/39/05/55/211390555.db2.gz WGDQFZMBDVNRCW-MQVJKMGUSA-N 1 2 383.492 2.862 1 0 GFAFLO Cc1ccc(C(=O)Nc2ccc(F)c([C@@]3(C)NC(=[NH2+])OCC3(F)F)c2)nc1 ZINC000095605829 211281967 /nfs/dbraw/zinc/28/19/67/211281967.db2.gz ZCNHRJGLINKQLI-QGZVFWFLSA-N 1 2 378.354 2.977 1 0 GFAFLO COc1cc2[nH]c(/C=C/C(=O)Nc3cc(OC)c(OC)cc3N)[nH+]c2cc1OC ZINC000013216063 210055403 /nfs/dbraw/zinc/05/54/03/210055403.db2.gz XGZBEBZNWONTIY-AATRIKPKSA-N 1 2 398.419 2.831 1 0 GFAFLO COc1ccc(-c2cc(-c3ccc(S(=O)(=O)N(C)C)cc3)c[nH+]c2N)cn1 ZINC000095577509 211278878 /nfs/dbraw/zinc/27/88/78/211278878.db2.gz NTBMDNFTKNXWSC-UHFFFAOYSA-N 1 2 384.461 2.652 1 0 GFAFLO CC(=O)c1cc(C)ccc1OC[C@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000096941808 534816977 /nfs/dbraw/zinc/81/69/77/534816977.db2.gz VCQWQXSPNPZWQZ-HXUWFJFHSA-N 1 2 386.467 2.899 1 0 GFAFLO O=C(C[NH+]1CCCC1)Nc1sc2c(c1C(=O)N1CC(F)(F)C1)CCCC2 ZINC000095562844 211277582 /nfs/dbraw/zinc/27/75/82/211277582.db2.gz SPJOFALIUYDWEQ-UHFFFAOYSA-N 1 2 383.464 2.752 1 0 GFAFLO Fc1ccc(C[NH+]2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1 ZINC000095603811 136182445 /nfs/dbraw/zinc/18/24/45/136182445.db2.gz BXAAFXBATHNFJC-UHFFFAOYSA-N 1 2 380.349 2.604 1 0 GFAFLO CNC(=O)N1CCC[C@H]([C@H](C)Nc2nc(-n3cnc4ccccc43)cc[nH+]2)C1 ZINC000045320840 581097439 /nfs/dbraw/zinc/09/74/39/581097439.db2.gz GUANBVMXZMYPLN-GJZGRUSLSA-N 1 2 379.468 2.667 1 0 GFAFLO O=C(NC1(C(=O)NCCc2c[nH+]c[nH]2)C2CC3CC(C2)CC1C3)c1ccccc1 ZINC000096916889 211351167 /nfs/dbraw/zinc/35/11/67/211351167.db2.gz PBRXKVBKCCBSMF-UHFFFAOYSA-N 1 2 392.503 2.693 1 0 GFAFLO O=C(NC1(C(=O)NCCc2c[nH]c[nH+]2)C2CC3CC(C2)CC1C3)c1ccccc1 ZINC000096916889 211351170 /nfs/dbraw/zinc/35/11/70/211351170.db2.gz PBRXKVBKCCBSMF-UHFFFAOYSA-N 1 2 392.503 2.693 1 0 GFAFLO OCCNc1nc(Nc2cc(-c3ccccc3)ccc2O)nc(N2CCCC2)[nH+]1 ZINC000014968099 581101976 /nfs/dbraw/zinc/10/19/76/581101976.db2.gz FEQNEXSELHWMTI-UHFFFAOYSA-N 1 2 392.463 2.992 1 0 GFAFLO CO[C@H]1Cc2ccccc2N(C(=O)N2CC[NH+](CCO)CC2)c2ccccc21 ZINC000020790543 210361637 /nfs/dbraw/zinc/36/16/37/210361637.db2.gz VIXOPDYUZNXBCD-NRFANRHFSA-N 1 2 381.476 2.798 3 0 GFAFLO COc1ccc(C(F)(F)F)cc1Nc1nc(NCCO)[nH+]c(N2CCCC2)n1 ZINC000014968087 210136878 /nfs/dbraw/zinc/13/68/78/210136878.db2.gz QMCHISMLXLNWOA-UHFFFAOYSA-N 1 2 398.389 2.647 1 0 GFAFLO Cc1cc(Br)cc2c3nc(C[N@@H+]4CC[C@H](O)C4)[nH]c(=O)c3oc21 ZINC000084654390 211173285 /nfs/dbraw/zinc/17/32/85/211173285.db2.gz FDNXNRKRVIHOKQ-JTQLQIEISA-N 1 2 378.226 2.719 1 0 GFAFLO Cc1cc(Br)cc2c3nc(C[N@H+]4CC[C@H](O)C4)[nH]c(=O)c3oc21 ZINC000084654390 211173290 /nfs/dbraw/zinc/17/32/90/211173290.db2.gz FDNXNRKRVIHOKQ-JTQLQIEISA-N 1 2 378.226 2.719 1 0 GFAFLO Cc1nc2ccccn2c1C(=O)N1CC[NH+](CCc2ccc(F)cc2F)CC1 ZINC000073297298 222269935 /nfs/dbraw/zinc/26/99/35/222269935.db2.gz YUFAPQHGYPWKDY-UHFFFAOYSA-N 1 2 384.430 2.921 1 0 GFAFLO COc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@@H](C(=O)c4ccccc4)[C@@H]3C2=O)cc1 ZINC000013136467 221261601 /nfs/dbraw/zinc/26/16/01/221261601.db2.gz NMGOVUSWQPVCMX-IYWMVGAKSA-N 1 2 390.439 2.530 1 0 GFAFLO COc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@@H](C(=O)c4ccccc4)[C@@H]3C2=O)cc1 ZINC000013136467 221261603 /nfs/dbraw/zinc/26/16/03/221261603.db2.gz NMGOVUSWQPVCMX-IYWMVGAKSA-N 1 2 390.439 2.530 1 0 GFAFLO O=C1CC2(CCCC2)CC(=O)N1CC[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000013560129 221272657 /nfs/dbraw/zinc/27/26/57/221272657.db2.gz NWSVOKGXCYCZTI-UHFFFAOYSA-N 1 2 391.462 2.796 1 0 GFAFLO CCOC(=O)C(O)(O)C[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000086865110 222328161 /nfs/dbraw/zinc/32/81/61/222328161.db2.gz OXIYYLKNZIFKQM-UHFFFAOYSA-N 1 2 391.467 2.812 2 0 GFAFLO CNC(=O)c1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)c[nH+]c2N)cc1 ZINC000084728717 222320675 /nfs/dbraw/zinc/32/06/75/222320675.db2.gz SQICBTMJLWNRFZ-UHFFFAOYSA-N 1 2 381.457 2.761 1 0 GFAFLO O[C@@H]1c2cc(F)c(F)cc2C[C@H]1[NH+]1CCN(c2cccc3c2OCCO3)CC1 ZINC000013471821 221269566 /nfs/dbraw/zinc/26/95/66/221269566.db2.gz GQMJLAOYTCLHED-UYAOXDASSA-N 1 2 388.414 2.516 1 0 GFAFLO CCCC[C@@H]1CCCO[C@@](C(=O)NCC[NH+]2CCOCC2)(C(F)(F)F)C1 ZINC000013829025 221290498 /nfs/dbraw/zinc/29/04/98/221290498.db2.gz JIXFIOWXFQYZDW-WBVHZDCISA-N 1 2 380.451 2.743 1 0 GFAFLO CCC(=O)c1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000096941801 136187952 /nfs/dbraw/zinc/18/79/52/136187952.db2.gz ALSFHTIGYJWHMP-LJQANCHMSA-N 1 2 386.467 2.980 1 0 GFAFLO COc1cc2c(cc1OC)C(=O)[C@@H](Oc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC000028335264 221675318 /nfs/dbraw/zinc/67/53/18/221675318.db2.gz DXPFFPDCRUGNRH-NRFANRHFSA-N 1 2 383.444 2.722 1 0 GFAFLO COc1cc2nc(-c3cc(F)ccc3O)nc(N[C@H]3CC[NH2+]C3)c2cc1OC ZINC000059285641 222056157 /nfs/dbraw/zinc/05/61/57/222056157.db2.gz GHWMQXIAILGGTF-LBPRGKRZSA-N 1 2 384.411 2.933 1 0 GFAFLO CN(C)C(=O)NC1CC[NH+]([C@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072104520 222205234 /nfs/dbraw/zinc/20/52/34/222205234.db2.gz GPOZYJNXWRDWTQ-SFHVURJKSA-N 1 2 375.423 2.580 1 0 GFAFLO CC[C@H](c1nnnn1-c1ccc2c(c1)OCCO2)[N@@H+]1CCc2ccccc2C1 ZINC000095570566 222356225 /nfs/dbraw/zinc/35/62/25/222356225.db2.gz IKMZHCPEAGYFNM-GOSISDBHSA-N 1 2 377.448 2.943 3 0 GFAFLO CC[C@H](c1nnnn1-c1ccc2c(c1)OCCO2)[N@H+]1CCc2ccccc2C1 ZINC000095570566 222356230 /nfs/dbraw/zinc/35/62/30/222356230.db2.gz IKMZHCPEAGYFNM-GOSISDBHSA-N 1 2 377.448 2.943 3 0 GFAFLO Cc1c2c(OCc3nccs3)cc(O)cc2oc(=O)c1N1CC[NH+](C)CC1 ZINC000096911660 136187775 /nfs/dbraw/zinc/18/77/75/136187775.db2.gz MKBPJYXIMGRWJR-UHFFFAOYSA-N 1 2 387.461 2.594 1 0 GFAFLO O=c1[nH]c2ncc(-c3ccc(-c4c[nH]c[nH+]4)cc3)nc2n1CC1CCOCC1 ZINC000082150769 222309863 /nfs/dbraw/zinc/30/98/63/222309863.db2.gz KIRZMVRUIYRWFN-UHFFFAOYSA-N 1 2 376.420 2.603 1 0 GFAFLO Cc1ccc(F)c(N2CC[NH+](CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 ZINC000013560132 221273168 /nfs/dbraw/zinc/27/31/68/221273168.db2.gz DHPRWORIQRWDMF-UHFFFAOYSA-N 1 2 387.499 2.966 1 0 GFAFLO CCCC[C@@H](C(=O)Oc1c(OC)cccc1OC)[NH+](CCOC)CCOC ZINC000013864514 221293150 /nfs/dbraw/zinc/29/31/50/221293150.db2.gz LNGARFTYFGQDHD-INIZCTEOSA-N 1 2 383.485 2.763 1 0 GFAFLO CC(C)(O)[C@@H]1C[NH2+]C[C@H]1Nc1nc(-c2cc(F)ccc2O)nc2ccccc21 ZINC000066099716 222137297 /nfs/dbraw/zinc/13/72/97/222137297.db2.gz CEIIDGPSFYGDIQ-NVXWUHKLSA-N 1 2 382.439 2.912 1 0 GFAFLO COc1cc(C2=[NH+][C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)c[nH]c1=O ZINC000071294533 222180335 /nfs/dbraw/zinc/18/03/35/222180335.db2.gz VFUHCHXRQDQJHI-QKVFXAPYSA-N 1 2 396.397 2.739 1 0 GFAFLO CN(C)C(=O)NC1CC[NH+]([C@@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072104521 222205742 /nfs/dbraw/zinc/20/57/42/222205742.db2.gz GPOZYJNXWRDWTQ-GOSISDBHSA-N 1 2 375.423 2.580 1 0 GFAFLO Cc1ccc(CN2C(=O)[C@H](CC(C)C)Nc3[nH+]cnc(N4CCOCC4)c32)cc1 ZINC000061959680 136156165 /nfs/dbraw/zinc/15/61/65/136156165.db2.gz BPIKNRIPVICKFE-SFHVURJKSA-N 1 2 395.507 2.995 3 0 GFAFLO COc1cc2c(cc1OC)[C@H]1O[C@@H](O)c3c4c(ccc3[C@@H]1[N@H+](C)CC2)OCO4 ZINC000085801175 571788532 /nfs/dbraw/zinc/78/85/32/571788532.db2.gz XYWRZQQANNOTTD-QKNQBKEWSA-N 1 2 385.416 2.724 1 0 endogenous,in-man GFAFLO COc1cc2c(cc1OC)[C@H]1O[C@@H](O)c3c4c(ccc3[C@@H]1[N@@H+](C)CC2)OCO4 ZINC000085801175 571788535 /nfs/dbraw/zinc/78/85/35/571788535.db2.gz XYWRZQQANNOTTD-QKNQBKEWSA-N 1 2 385.416 2.724 1 0 endogenous,in-man GFAFLO