smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccc2c(c1)N(C[C@H](C)C[NH+](C)C)c1ccccc1S2 ZINC000000000282 524058861 /nfs/dbraw/zinc/05/88/61/524058861.db2.gz USKHCLAXJXCWMO-OAHLLOKOSA-N 1 0 326.509 5.049 40 0 in-man EKABRO C[N@@H+]1CCC[C@H]1CCO[C@@](C)(c1ccccc1)c1ccc(Cl)cc1 ZINC000000001171 564118112 /nfs/dbraw/zinc/11/81/12/564118112.db2.gz YNNUSGIPVFPVBX-SFTDATJTSA-N 1 0 343.898 5.104 40 0 EKABRO COC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(C)c(Cl)c3)c2c1 ZINC000000144092 563243602 /nfs/dbraw/zinc/24/36/02/563243602.db2.gz WOCMBSMNHBQUFT-UHFFFAOYSA-N 1 0 340.810 5.035 40 0 EKABRO Brc1ccc(-c2csc3c4ccccc4cc[n+]23)cc1 ZINC000000162429 563248974 /nfs/dbraw/zinc/24/89/74/563248974.db2.gz DWFCSYZANLKZDU-UHFFFAOYSA-N 1 0 341.253 5.070 40 0 EKABRO CC1(C)C=Cc2c([nH+]c3ccccc3c2NCc2ccc(Cl)cc2)C1 ZINC000000348174 563288412 /nfs/dbraw/zinc/28/84/12/563288412.db2.gz FYTZZCIDOUFARA-UHFFFAOYSA-N 1 0 348.877 6.096 40 0 EKABRO CC(C)c1ccc(/C=C/C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000000514888 564012568 /nfs/dbraw/zinc/01/25/68/564012568.db2.gz BNHSQYHKZPWXNW-NTEUORMPSA-N 1 0 348.490 5.058 40 0 EKABRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000000568244 257869748 /nfs/dbraw/zinc/86/97/48/257869748.db2.gz VMICTQJQYLFCCU-UHFFFAOYSA-N 1 0 338.495 5.078 40 0 EKABRO C[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000000819521 563364555 /nfs/dbraw/zinc/36/45/55/563364555.db2.gz HDBGZQOXYWWDJX-LBPRGKRZSA-N 1 0 346.261 5.234 40 0 EKABRO C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000000819522 563364525 /nfs/dbraw/zinc/36/45/25/563364525.db2.gz HDBGZQOXYWWDJX-GFCCVEGCSA-N 1 0 346.261 5.234 40 0 EKABRO C[N@@H+]1CCC[C@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 ZINC000000896472 564118090 /nfs/dbraw/zinc/11/80/90/564118090.db2.gz YNNUSGIPVFPVBX-LEWJYISDSA-N 1 0 343.898 5.104 40 0 EKABRO c1[nH]c2ccccc2c1CCC1CC[NH+](CCc2ccccc2)CC1 ZINC000001482088 563391012 /nfs/dbraw/zinc/39/10/12/563391012.db2.gz PKONSPWBWMIPAF-UHFFFAOYSA-N 1 0 332.491 5.055 40 0 in-man EKABRO C[C@@H](Cc1ccccc1)[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000001532185 563391791 /nfs/dbraw/zinc/39/17/91/563391791.db2.gz IFFPICMESYHZPQ-FQEVSTJZSA-N 1 0 329.487 5.429 40 0 in-man EKABRO C[C@H](Cc1ccccc1)[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000001532186 563391734 /nfs/dbraw/zinc/39/17/34/563391734.db2.gz IFFPICMESYHZPQ-HXUWFJFHSA-N 1 0 329.487 5.429 40 0 in-man EKABRO CC[NH+](CC)CCCCCCNc1ccnc2cc(Cl)ccc21 ZINC000001555296 563391699 /nfs/dbraw/zinc/39/16/99/563391699.db2.gz NDMIXVHHIRTEFY-UHFFFAOYSA-N 1 0 333.907 5.202 40 0 EKABRO CC[NH+](CC)CCN1c2ccccc2Sc2ccc3ccccc3c21 ZINC000001561931 563391994 /nfs/dbraw/zinc/39/19/94/563391994.db2.gz VKJJBAOUCOSHBQ-UHFFFAOYSA-N 1 0 348.515 5.784 40 0 in-vitro EKABRO CC[NH+](CC)CCN1c2ccccc2Sc2c3ccccc3ccc21 ZINC000001561937 563392135 /nfs/dbraw/zinc/39/21/35/563392135.db2.gz NBTUMIXOWHMHSH-UHFFFAOYSA-N 1 0 348.515 5.784 40 0 EKABRO C[NH+](C)CCCN1c2ccccc2Sc2ccc3ccccc3c21 ZINC000001561939 563392100 /nfs/dbraw/zinc/39/21/00/563392100.db2.gz VGMOECBHITYGPM-UHFFFAOYSA-N 1 0 334.488 5.394 40 0 in-vitro EKABRO CC[NH+](CC)CCC[C@@H](C)Nc1cc(C)c2nc(C)cc(C)c2c1C ZINC000001563142 563392114 /nfs/dbraw/zinc/39/21/14/563392114.db2.gz CWVBWYLYLRXCIV-QGZVFWFLSA-N 1 0 341.543 5.391 40 0 EKABRO CCCCC[C@@H](C[NH+](C)C)C(=O)C[C@H](SCC)c1ccccc1 ZINC000001573423 563393142 /nfs/dbraw/zinc/39/31/42/563393142.db2.gz OEIWDVKEOZSUBI-ICSRJNTNSA-N 1 0 335.557 5.198 40 0 EKABRO CCCCC[C@H](C[NH+](C)C)C(=O)C[C@H](SCC)c1ccccc1 ZINC000001573424 563393193 /nfs/dbraw/zinc/39/31/93/563393193.db2.gz OEIWDVKEOZSUBI-QUCCMNQESA-N 1 0 335.557 5.198 40 0 EKABRO CCCCC[C@@H](C[NH+](C)C)C(=O)C[C@@H](SCC)c1ccccc1 ZINC000001573425 563393178 /nfs/dbraw/zinc/39/31/78/563393178.db2.gz OEIWDVKEOZSUBI-AZUAARDMSA-N 1 0 335.557 5.198 40 0 EKABRO CCCCC[C@H](C[NH+](C)C)C(=O)C[C@@H](SCC)c1ccccc1 ZINC000001573426 563393195 /nfs/dbraw/zinc/39/31/95/563393195.db2.gz OEIWDVKEOZSUBI-UYAOXDASSA-N 1 0 335.557 5.198 40 0 EKABRO Brc1ccc(-c2csc3sc4ccccc4[n+]23)cc1 ZINC000001579155 563393959 /nfs/dbraw/zinc/39/39/59/563393959.db2.gz UBEHLTYWQJEUCX-UHFFFAOYSA-N 1 0 347.282 5.131 40 0 EKABRO C[NH+]1C(C)(C)CC(C(=O)c2ccccc2)(c2ccccc2)CC1(C)C ZINC000001585451 563394654 /nfs/dbraw/zinc/39/46/54/563394654.db2.gz LVXNVZRUBGZRDQ-UHFFFAOYSA-N 1 0 335.491 5.090 40 0 EKABRO CCCCCCC(=O)C[C@H](SCC[NH3+])c1ccccc1Cl ZINC000001590148 563395043 /nfs/dbraw/zinc/39/50/43/563395043.db2.gz YQQARFOSNBCVNM-KRWDZBQOSA-N 1 0 327.921 5.003 40 0 EKABRO c1cc(Nc2ccc3c(c2)OCO3)c2cc(C3CCCCC3)ccc2[nH+]1 ZINC000001590483 209764002 /nfs/dbraw/zinc/76/40/02/209764002.db2.gz NBIBPEOLNHYSHE-UHFFFAOYSA-N 1 0 346.430 5.755 40 0 EKABRO CCCC[NH+](CCCC)C[C@H](O)c1cc(Cl)c(Cl)cc1C ZINC000001591903 563395061 /nfs/dbraw/zinc/39/50/61/563395061.db2.gz MUIYBHKUNWBBCC-KRWDZBQOSA-N 1 0 332.315 5.237 40 0 EKABRO CCCCC[NH+](CCCCC)C[C@H](O)c1cc(C)ccc1Cl ZINC000001592049 209764021 /nfs/dbraw/zinc/76/40/21/209764021.db2.gz NYRHDKKFGFDKBL-IBGZPJMESA-N 1 0 325.924 5.364 40 0 EKABRO CCCCC[NH+](CCCCC)C[C@H](O)c1ccc(C)c(Cl)c1 ZINC000001592130 563395064 /nfs/dbraw/zinc/39/50/64/563395064.db2.gz ODLHQPYNOGLVNT-IBGZPJMESA-N 1 0 325.924 5.364 40 0 EKABRO CCCC[NH+](CCC=C1c2ccccc2Oc2ccccc21)CCCC ZINC000001593770 563395359 /nfs/dbraw/zinc/39/53/59/563395359.db2.gz BQRCKQRIGWDNPX-UHFFFAOYSA-N 1 0 349.518 6.516 40 0 EKABRO CCCC[NH+](CCCC)[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000001595268 209765246 /nfs/dbraw/zinc/76/52/46/209765246.db2.gz BPNIKIQENLJVAF-FCHUYYIVSA-N 1 0 325.496 5.364 40 0 EKABRO CCCC[NH+](CCCC)[C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000001595269 209765495 /nfs/dbraw/zinc/76/54/95/209765495.db2.gz BPNIKIQENLJVAF-FGZHOGPDSA-N 1 0 325.496 5.364 40 0 EKABRO CCCC[NH+](CCCC)[C@@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000001595270 564013052 /nfs/dbraw/zinc/01/30/52/564013052.db2.gz BPNIKIQENLJVAF-VXKWHMMOSA-N 1 0 325.496 5.364 40 0 EKABRO CCCC[NH+](CCCC)[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000001595271 564013048 /nfs/dbraw/zinc/01/30/48/564013048.db2.gz BPNIKIQENLJVAF-YADHBBJMSA-N 1 0 325.496 5.364 40 0 EKABRO CCC[NH+](CCC)CC[C@H](O)c1cc2c(c3ccccc31)CCCC2 ZINC000001596785 563395404 /nfs/dbraw/zinc/39/54/04/563395404.db2.gz XASXMEKXZPGFQK-QHCPKHFHSA-N 1 0 339.523 5.264 40 0 EKABRO Cc1ccc2c(c1)Sc1c3ccccc3ccc1N2CCC[NH+](C)C ZINC000001608876 563396106 /nfs/dbraw/zinc/39/61/06/563396106.db2.gz ZWVAIFKVPKWGLE-UHFFFAOYSA-N 1 0 348.515 5.703 40 0 EKABRO C(=C/[n+]1cc(-c2ccccc2)cc(-c2ccccc2)c1)\c1ccccc1 ZINC000001609526 563396121 /nfs/dbraw/zinc/39/61/21/563396121.db2.gz QINOPOBZLLWFAN-WUKNDPDISA-N 1 0 334.442 5.936 40 0 EKABRO C[n+]1c2ccccc2sc1C1(O)CCCCCCCCCCC1 ZINC000001610000 563396039 /nfs/dbraw/zinc/39/60/39/563396039.db2.gz JRWAGLNUDOLWRA-UHFFFAOYSA-N 1 0 332.533 5.218 40 0 EKABRO Cc1ccc(/C(=C/C[NH+]2CC3CCC(CC3)C2)c2ccccc2)cc1 ZINC000001615795 563396804 /nfs/dbraw/zinc/39/68/04/563396804.db2.gz AJIOVTVUJXMFQG-BUVRLJJBSA-N 1 0 331.503 5.549 40 0 EKABRO Fc1ccc([C@@H](CC[NH+]2CC3CCC(CC3)C2)c2ccccc2)cc1 ZINC000001615797 563396719 /nfs/dbraw/zinc/39/67/19/563396719.db2.gz AYZADYBJJUWYON-XWEVFREBSA-N 1 0 337.482 5.470 40 0 EKABRO COc1ccc([C@H](CC[N@@H+]2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 ZINC000001615849 563396771 /nfs/dbraw/zinc/39/67/71/563396771.db2.gz ZXMNEGRPJLYERL-MZLICYQSSA-N 1 0 349.518 5.339 40 0 EKABRO COc1ccc(/C(=C/C[N@@H+]2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 ZINC000001615884 563396712 /nfs/dbraw/zinc/39/67/12/563396712.db2.gz UNGBWSHKZGGGND-NMGFGJDYSA-N 1 0 347.502 5.249 40 0 EKABRO CCCC[NH+](CCCC)CC[C@H](O)c1ccc(OC)c2ccccc21 ZINC000001621097 209768843 /nfs/dbraw/zinc/76/88/43/209768843.db2.gz WYVNVBBCQZIRJQ-NRFANRHFSA-N 1 0 343.511 5.174 40 0 EKABRO C[C@H]1CC(C)(C)C[C@@](OCC[NH+]2CCCCC2)(c2ccccc2)C1 ZINC000001621633 563397188 /nfs/dbraw/zinc/39/71/88/563397188.db2.gz SEINAULMIKRPHQ-SIKLNZKXSA-N 1 0 329.528 5.231 40 0 in-vitro EKABRO C[C@@H]1CC(C)(C)C[C@@](OCC[NH+]2CCCCC2)(c2ccccc2)C1 ZINC000001621634 563397181 /nfs/dbraw/zinc/39/71/81/563397181.db2.gz SEINAULMIKRPHQ-DENIHFKCSA-N 1 0 329.528 5.231 40 0 in-vitro EKABRO C[C@H]1CC(C)(C)C[C@](OCC[NH+]2CCCCC2)(c2ccccc2)C1 ZINC000001621635 563397160 /nfs/dbraw/zinc/39/71/60/563397160.db2.gz SEINAULMIKRPHQ-UGKGYDQZSA-N 1 0 329.528 5.231 40 0 in-vitro EKABRO C[C@@H]1CC(C)(C)C[C@](OCC[NH+]2CCCCC2)(c2ccccc2)C1 ZINC000001621636 563397178 /nfs/dbraw/zinc/39/71/78/563397178.db2.gz SEINAULMIKRPHQ-KNQAVFIVSA-N 1 0 329.528 5.231 40 0 in-vitro EKABRO O[C@H](C[NH+]1CCCCC1)c1ccc(/C=C/c2ccc(Cl)cc2)cc1 ZINC000001628149 563397799 /nfs/dbraw/zinc/39/77/99/563397799.db2.gz QJUBRQLMPOZVNB-KTBYTZPXSA-N 1 0 341.882 5.030 40 0 EKABRO O[C@@H](C[NH+]1CCCCC1)c1ccc(/C=C/c2ccc(Cl)cc2)cc1 ZINC000001628151 563397763 /nfs/dbraw/zinc/39/77/63/563397763.db2.gz QJUBRQLMPOZVNB-FNEOHHHZSA-N 1 0 341.882 5.030 40 0 EKABRO CCCC[NH+](CCCC)CCC(=O)c1ccc(Cl)c2ccccc12 ZINC000001628200 563397759 /nfs/dbraw/zinc/39/77/59/563397759.db2.gz GLUWJJVCFQGKDU-UHFFFAOYSA-N 1 0 345.914 5.968 40 0 EKABRO CCCC[NH+](CCCC)CCC(=O)c1ccc(OC)c2ccccc12 ZINC000001628201 209769260 /nfs/dbraw/zinc/76/92/60/209769260.db2.gz GRRZJWPPSMSQSF-UHFFFAOYSA-N 1 0 341.495 5.323 40 0 EKABRO CCCC[NH+](CCCC)CC[C@](C)(O)c1cccc2ccccc21 ZINC000001628203 209769321 /nfs/dbraw/zinc/76/93/21/209769321.db2.gz VVPSBCPSPBTMRV-QFIPXVFZSA-N 1 0 327.512 5.340 40 0 EKABRO CCC[NH+](CCC)CC(C)(C)[C@H](O)c1ccc(OC)c2ccccc21 ZINC000001628204 209769414 /nfs/dbraw/zinc/76/94/14/209769414.db2.gz VSWNPKYWDNNAAH-OAQYLSRUSA-N 1 0 343.511 5.030 40 0 EKABRO [NH3+]CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 ZINC000001629230 563397859 /nfs/dbraw/zinc/39/78/59/563397859.db2.gz OVBAZEUSCRGDKY-QURGRASLSA-N 1 0 349.861 5.180 40 0 EKABRO CC[NH+](CC)CCC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000001648051 563399205 /nfs/dbraw/zinc/39/92/05/563399205.db2.gz IVFIBCGOUZXKQS-UHFFFAOYSA-N 1 0 331.843 5.047 40 0 EKABRO Cc1ccc(C(C[NH3+])(CCOc2ccccc2)c2ccc(C)cc2)cc1 ZINC000001654123 563399632 /nfs/dbraw/zinc/39/96/32/563399632.db2.gz VODXZCQGQIWIGS-UHFFFAOYSA-N 1 0 345.486 5.017 40 0 EKABRO Cc1cc(C)cc(C(=[NH2+])c2ccccc2Cc2cccc3ccccc32)c1 ZINC000001656985 563399974 /nfs/dbraw/zinc/39/99/74/563399974.db2.gz CUEMLDZCDSJAFY-UHFFFAOYSA-N 1 0 349.477 6.464 40 0 in-vitro EKABRO c1ccc(C[N@@H+]2CCCC(c3ccccc3)=C2c2ccccc2)cc1 ZINC000001664751 563400305 /nfs/dbraw/zinc/40/03/05/563400305.db2.gz YQMNQLYDJFUMJK-UHFFFAOYSA-N 1 0 325.455 5.851 40 0 EKABRO CCCCN(CCCC)C(=[NH2+])c1ccc(OCc2ccccc2)cc1 ZINC000001664761 563400286 /nfs/dbraw/zinc/40/02/86/563400286.db2.gz KZXYORBDWWQWGE-UHFFFAOYSA-N 1 0 338.495 5.493 40 0 EKABRO CCCC[NH2+][C@@H](c1ccc(Cl)cc1)[C@H](O)c1ccc(Cl)cc1 ZINC000001664844 563400242 /nfs/dbraw/zinc/40/02/42/563400242.db2.gz QNOWTNZTIJIKSZ-ZWKOTPCHSA-N 1 0 338.278 5.158 40 0 EKABRO CCCC[NH2+][C@H](c1ccc(Cl)cc1)[C@H](O)c1ccc(Cl)cc1 ZINC000001664845 563400331 /nfs/dbraw/zinc/40/03/31/563400331.db2.gz QNOWTNZTIJIKSZ-QZTJIDSGSA-N 1 0 338.278 5.158 40 0 EKABRO CCCC[NH2+][C@@H](c1ccc(Cl)cc1)[C@@H](O)c1ccc(Cl)cc1 ZINC000001664846 209777071 /nfs/dbraw/zinc/77/70/71/209777071.db2.gz QNOWTNZTIJIKSZ-ROUUACIJSA-N 1 0 338.278 5.158 40 0 EKABRO CCCC[NH2+][C@H](c1ccc(Cl)cc1)[C@@H](O)c1ccc(Cl)cc1 ZINC000001664847 563400235 /nfs/dbraw/zinc/40/02/35/563400235.db2.gz QNOWTNZTIJIKSZ-MSOLQXFVSA-N 1 0 338.278 5.158 40 0 EKABRO CC[NH+](CC)CCC(=O)c1cc(-c2ccccc2)oc1-c1ccccc1 ZINC000001665803 563400627 /nfs/dbraw/zinc/40/06/27/563400627.db2.gz LSDPEBNPMDMPDR-UHFFFAOYSA-N 1 0 347.458 5.528 40 0 EKABRO C[n+]1ccccc1-c1cc2c3ccccc3ccn2c1-c1ccccc1 ZINC000001667693 563400970 /nfs/dbraw/zinc/40/09/70/563400970.db2.gz FATTVFDAHYODNH-UHFFFAOYSA-N 1 0 335.430 5.251 40 0 EKABRO [NH3+]C1(C2c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21 ZINC000001669491 564099015 /nfs/dbraw/zinc/09/90/15/564099015.db2.gz YVAHDQMZACOZHL-UHFFFAOYSA-N 1 0 345.445 5.682 40 0 EKABRO CC[NH+](CC)CCCn1c(-c2ccccc2)ccc1-c1ccccc1 ZINC000001671918 563401768 /nfs/dbraw/zinc/40/17/68/563401768.db2.gz XPZOAWGZBMFIBK-UHFFFAOYSA-N 1 0 332.491 5.554 40 0 EKABRO CC[NH+](CC)CCCCCCNc1cc(C)cc2ccc(C)nc21 ZINC000001673168 563402051 /nfs/dbraw/zinc/40/20/51/563402051.db2.gz OVCYHPOGVPODQV-UHFFFAOYSA-N 1 0 327.516 5.166 40 0 EKABRO CCc1ccc2c(c1)N(C[C@@H](C)C[NH+](C)C)c1ccccc1S2 ZINC000001678383 135656019 /nfs/dbraw/zinc/65/60/19/135656019.db2.gz USKHCLAXJXCWMO-HNNXBMFYSA-N 1 0 326.509 5.049 40 0 in-man EKABRO C[N@@H+]1CCC(=C(c2ccccc2)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000001681675 563402728 /nfs/dbraw/zinc/40/27/28/563402728.db2.gz GWAHCEODORVIBC-DEOSSOPVSA-N 1 0 339.482 5.608 40 0 EKABRO CC[NH+](CC)CCCCCCNc1cc(Cl)cc2cccnc21 ZINC000001683230 563403187 /nfs/dbraw/zinc/40/31/87/563403187.db2.gz DRBGIPKJEWPEEZ-UHFFFAOYSA-N 1 0 333.907 5.202 40 0 EKABRO CCCC[NH+](CCCC)C[C@H](O)c1ccc(Cl)c(C)c1Cl ZINC000001683258 563403164 /nfs/dbraw/zinc/40/31/64/563403164.db2.gz SGEGJUUAHSLYGV-INIZCTEOSA-N 1 0 332.315 5.237 40 0 EKABRO CCCC[NH+](CCCC)[C@@H](C)[C@H](O)c1ccc2c3c(cccc31)CC2 ZINC000001683272 563403182 /nfs/dbraw/zinc/40/31/82/563403182.db2.gz KXMDAFJWLTZHEE-SBUREZEXSA-N 1 0 339.523 5.263 40 0 EKABRO CCCC[NH+](CCCC)[C@H](C)[C@H](O)c1ccc2c3c(cccc31)CC2 ZINC000001683273 563403192 /nfs/dbraw/zinc/40/31/92/563403192.db2.gz KXMDAFJWLTZHEE-HXOBKFHXSA-N 1 0 339.523 5.263 40 0 EKABRO CCCC[NH+](CCCC)[C@@H](C)[C@@H](O)c1ccc2c3c(cccc31)CC2 ZINC000001683274 563403203 /nfs/dbraw/zinc/40/32/03/563403203.db2.gz KXMDAFJWLTZHEE-GAJHUEQPSA-N 1 0 339.523 5.263 40 0 EKABRO CCCC[NH+](CCCC)[C@H](C)[C@@H](O)c1ccc2c3c(cccc31)CC2 ZINC000001683275 563403194 /nfs/dbraw/zinc/40/31/94/563403194.db2.gz KXMDAFJWLTZHEE-UZUQRXQVSA-N 1 0 339.523 5.263 40 0 EKABRO CC[NH+](CC)CCCCCCNc1cccc2c(Cl)ccnc12 ZINC000001683569 563403178 /nfs/dbraw/zinc/40/31/78/563403178.db2.gz SXASKMPTHMUDTD-UHFFFAOYSA-N 1 0 333.907 5.202 40 0 EKABRO CCCC[NH+](CCCC)C[C@H](O)c1ccc(Cl)c2ccccc21 ZINC000001683571 563403137 /nfs/dbraw/zinc/40/31/37/563403137.db2.gz ZDTIUXNNBFKOPX-FQEVSTJZSA-N 1 0 333.903 5.429 40 0 EKABRO CCCC[NH+](CCCC)C[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000001683583 564013061 /nfs/dbraw/zinc/01/30/61/564013061.db2.gz ADIOZUAFIPJRTL-QFIPXVFZSA-N 1 0 325.496 5.289 40 0 EKABRO Clc1ccc2c(c1)nccc2NC1CCC([NH+]2CCCCC2)CC1 ZINC000001687514 563403957 /nfs/dbraw/zinc/40/39/57/563403957.db2.gz SVJCZPVZDHLIEP-UHFFFAOYSA-N 1 0 343.902 5.097 40 0 in-vitro EKABRO c1ccc(NC2CC[NH+](C3(c4ccccc4)CCCCC3)CC2)cc1 ZINC000001688486 563403875 /nfs/dbraw/zinc/40/38/75/563403875.db2.gz WUQUHXVWUUZMEL-UHFFFAOYSA-N 1 0 334.507 5.423 40 0 EKABRO CC[NH+](CC)CCCO[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000001691526 209782107 /nfs/dbraw/zinc/78/21/07/209782107.db2.gz OBZYMERBHFKYTP-FQEVSTJZSA-N 1 0 331.887 5.178 40 0 EKABRO C[NH+](C)CCC[C@@H]1c2ccccc2Oc2ccc(C(F)(F)F)cc21 ZINC000001692742 563404142 /nfs/dbraw/zinc/40/41/42/563404142.db2.gz WRNDGAGUUNVEEO-CQSZACIVSA-N 1 0 335.369 5.285 40 0 in-vitro EKABRO CCCC[NH+](CCCC)C[C@@H](O)c1ccc(C2CCCCC2)cc1 ZINC000001693428 209782202 /nfs/dbraw/zinc/78/22/02/209782202.db2.gz MTRLKRMXNPZMKH-JOCHJYFZSA-N 1 0 331.544 5.670 40 0 EKABRO C[C@@H](C[NH+]1CCCCC1)[C@@](O)(c1ccc(Cl)cc1)C1CCCCC1 ZINC000001698617 563404246 /nfs/dbraw/zinc/40/42/46/563404246.db2.gz VMKUTHOGNDZCNC-UWJYYQICSA-N 1 0 349.946 5.230 40 0 EKABRO C[C@H](C[NH+]1CCCCC1)[C@@](O)(c1ccc(Cl)cc1)C1CCCCC1 ZINC000001698618 563404156 /nfs/dbraw/zinc/40/41/56/563404156.db2.gz VMKUTHOGNDZCNC-UTKZUKDTSA-N 1 0 349.946 5.230 40 0 EKABRO C[C@@H](C[NH+]1CCCCC1)[C@](O)(c1ccc(Cl)cc1)C1CCCCC1 ZINC000001698619 563404169 /nfs/dbraw/zinc/40/41/69/563404169.db2.gz VMKUTHOGNDZCNC-LAUBAEHRSA-N 1 0 349.946 5.230 40 0 EKABRO C[C@H](C[NH+]1CCCCC1)[C@](O)(c1ccc(Cl)cc1)C1CCCCC1 ZINC000001698620 563404148 /nfs/dbraw/zinc/40/41/48/563404148.db2.gz VMKUTHOGNDZCNC-DYESRHJHSA-N 1 0 349.946 5.230 40 0 EKABRO CC[NH+](CC)C[C@@H](C)[C@@](O)(c1ccc(Cl)cc1)C1CCCCC1 ZINC000001698642 563404177 /nfs/dbraw/zinc/40/41/77/563404177.db2.gz AWRHCRZHVXPVOG-UZLBHIALSA-N 1 0 337.935 5.086 40 0 EKABRO CC[NH+](CC)C[C@H](C)[C@@](O)(c1ccc(Cl)cc1)C1CCCCC1 ZINC000001698643 563404701 /nfs/dbraw/zinc/40/47/01/563404701.db2.gz AWRHCRZHVXPVOG-JXFKEZNVSA-N 1 0 337.935 5.086 40 0 EKABRO CC[NH+](CC)C[C@@H](C)[C@](O)(c1ccc(Cl)cc1)C1CCCCC1 ZINC000001698644 209784174 /nfs/dbraw/zinc/78/41/74/209784174.db2.gz AWRHCRZHVXPVOG-OXQOHEQNSA-N 1 0 337.935 5.086 40 0 EKABRO CC[NH+](CC)C[C@H](C)[C@](O)(c1ccc(Cl)cc1)C1CCCCC1 ZINC000001698645 209783029 /nfs/dbraw/zinc/78/30/29/209783029.db2.gz AWRHCRZHVXPVOG-OXJNMPFZSA-N 1 0 337.935 5.086 40 0 EKABRO CCCCC[NH+](CCCCC)[C@@H](C)[C@H](O)c1ccc(Cl)cc1 ZINC000001700101 209783851 /nfs/dbraw/zinc/78/38/51/209783851.db2.gz UAXZYFISZISZAZ-LPHOPBHVSA-N 1 0 325.924 5.444 40 0 EKABRO CCCCC[NH+](CCCCC)[C@H](C)[C@H](O)c1ccc(Cl)cc1 ZINC000001700102 563404689 /nfs/dbraw/zinc/40/46/89/563404689.db2.gz UAXZYFISZISZAZ-APWZRJJASA-N 1 0 325.924 5.444 40 0 EKABRO CCCCC[NH+](CCCCC)[C@@H](C)[C@@H](O)c1ccc(Cl)cc1 ZINC000001700103 563404660 /nfs/dbraw/zinc/40/46/60/563404660.db2.gz UAXZYFISZISZAZ-QFBILLFUSA-N 1 0 325.924 5.444 40 0 EKABRO CCCCC[NH+](CCCCC)[C@H](C)[C@@H](O)c1ccc(Cl)cc1 ZINC000001700104 563404647 /nfs/dbraw/zinc/40/46/47/563404647.db2.gz UAXZYFISZISZAZ-VQIMIIECSA-N 1 0 325.924 5.444 40 0 EKABRO CCCCC[NH+](CCCCC)CC[C@H](O)c1cccc2ccccc21 ZINC000001700111 563404664 /nfs/dbraw/zinc/40/46/64/563404664.db2.gz RYCGPGIFKVZHKQ-QHCPKHFHSA-N 1 0 341.539 5.946 40 0 EKABRO CCCC[NH+](CCCC)C[C@H](O)c1cccc2cc(Cl)ccc21 ZINC000001706299 563405408 /nfs/dbraw/zinc/40/54/08/563405408.db2.gz IVEOCLBMEDSEPU-FQEVSTJZSA-N 1 0 333.903 5.429 40 0 EKABRO CCCCC[NH+](CCCCC)C[C@H](O)c1cc(Cl)ccc1OC ZINC000001706363 563405453 /nfs/dbraw/zinc/40/54/53/563405453.db2.gz DTMYUHUPXXNNGM-SFHVURJKSA-N 1 0 341.923 5.064 40 0 EKABRO CCCC[NH+](CCCC)C[C@H](O)c1cccc2c(Cl)cccc21 ZINC000001706375 563405497 /nfs/dbraw/zinc/40/54/97/563405497.db2.gz UNDJJQZPUWTBKI-FQEVSTJZSA-N 1 0 333.903 5.429 40 0 EKABRO CCC[NH+](CCC)[C@@H](C)[C@H](O)c1cc2c(c3ccccc31)CCCC2 ZINC000001706392 563405492 /nfs/dbraw/zinc/40/54/92/563405492.db2.gz BQHOCPDJYJKEBN-SBUREZEXSA-N 1 0 339.523 5.263 40 0 EKABRO CCC[NH+](CCC)[C@H](C)[C@H](O)c1cc2c(c3ccccc31)CCCC2 ZINC000001706393 201517425 /nfs/dbraw/zinc/51/74/25/201517425.db2.gz BQHOCPDJYJKEBN-HXOBKFHXSA-N 1 0 339.523 5.263 40 0 EKABRO CCC[NH+](CCC)[C@@H](C)[C@@H](O)c1cc2c(c3ccccc31)CCCC2 ZINC000001706394 209784568 /nfs/dbraw/zinc/78/45/68/209784568.db2.gz BQHOCPDJYJKEBN-GAJHUEQPSA-N 1 0 339.523 5.263 40 0 EKABRO CCC[NH+](CCC)[C@H](C)[C@@H](O)c1cc2c(c3ccccc31)CCCC2 ZINC000001706395 563405348 /nfs/dbraw/zinc/40/53/48/563405348.db2.gz BQHOCPDJYJKEBN-UZUQRXQVSA-N 1 0 339.523 5.263 40 0 EKABRO CC[NH+](CC)CCCN(c1ccccc1)c1ccc2ccccc2n1 ZINC000001706860 209785220 /nfs/dbraw/zinc/78/52/20/209785220.db2.gz SHRCHQMNQUITOL-UHFFFAOYSA-N 1 0 333.479 5.105 40 0 EKABRO CCC1(C[C@@H]2CCC[N@H+](C)C2)c2ccccc2Sc2ccccc21 ZINC000001713962 563406517 /nfs/dbraw/zinc/40/65/17/563406517.db2.gz DNNSAMRVVMKCTM-KRWDZBQOSA-N 1 0 337.532 5.579 40 0 EKABRO Cc1c2[nH]c3ccccc3c2cc2c1CC[NH+]=C2c1ccc(F)cc1 ZINC000001717244 563406490 /nfs/dbraw/zinc/40/64/90/563406490.db2.gz CXYGJCRYQFSCFA-UHFFFAOYSA-N 1 0 328.390 5.162 40 0 EKABRO CCCCC[NH+](CCCCC)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000001718270 563406872 /nfs/dbraw/zinc/40/68/72/563406872.db2.gz BXEWHHRSESPULZ-SFHVURJKSA-N 1 0 346.342 5.709 40 0 EKABRO C[N@H+](CCC(=O)c1ccc(-c2ccccc2)cc1)Cc1ccccc1 ZINC000001724569 563407254 /nfs/dbraw/zinc/40/72/54/563407254.db2.gz LSAGQZQFGDICND-UHFFFAOYSA-N 1 0 329.443 5.058 40 0 EKABRO CC[NH+](CC)CCCC[C@H](C)Nc1ccnc2cc(Cl)ccc21 ZINC000001729626 563407855 /nfs/dbraw/zinc/40/78/55/563407855.db2.gz MXGGYCYYCOWYGB-HNNXBMFYSA-N 1 0 333.907 5.201 40 0 EKABRO Cc1c2[nH]c3ccccc3c2cc2c1CC[NH+]=C2c1ccc(Cl)cc1 ZINC000001730697 563407879 /nfs/dbraw/zinc/40/78/79/563407879.db2.gz DRLPKPSUSZYUDY-UHFFFAOYSA-N 1 0 344.845 5.676 40 0 EKABRO CCCCC[C@@H](C[NH+](C)C)[C@H](O)CCc1ccc(Cl)c(Cl)c1 ZINC000001731554 563407835 /nfs/dbraw/zinc/40/78/35/563407835.db2.gz HEFONFMNWNTALQ-MAUKXSAKSA-N 1 0 346.342 5.045 40 0 EKABRO CCCCC[C@H](C[NH+](C)C)[C@H](O)CCc1ccc(Cl)c(Cl)c1 ZINC000001731555 201518419 /nfs/dbraw/zinc/51/84/19/201518419.db2.gz HEFONFMNWNTALQ-CRAIPNDOSA-N 1 0 346.342 5.045 40 0 EKABRO CCCCC[C@@H](C[NH+](C)C)[C@@H](O)CCc1ccc(Cl)c(Cl)c1 ZINC000001731556 563407851 /nfs/dbraw/zinc/40/78/51/563407851.db2.gz HEFONFMNWNTALQ-YJBOKZPZSA-N 1 0 346.342 5.045 40 0 EKABRO CCCCC[C@H](C[NH+](C)C)[C@@H](O)CCc1ccc(Cl)c(Cl)c1 ZINC000001731557 563407896 /nfs/dbraw/zinc/40/78/96/563407896.db2.gz HEFONFMNWNTALQ-QAPCUYQASA-N 1 0 346.342 5.045 40 0 EKABRO NC(=[NH2+])SCc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000001732083 563408362 /nfs/dbraw/zinc/40/83/62/563408362.db2.gz LJUMGKODERVHSL-UHFFFAOYSA-N 1 0 338.474 5.080 40 0 EKABRO CCCCCCN(CCCCCC)C(=[NH2+])c1ccnc2ccccc21 ZINC000001733648 563408375 /nfs/dbraw/zinc/40/83/75/563408375.db2.gz YISMMPSEZVTBAS-UHFFFAOYSA-N 1 0 339.527 6.023 40 0 EKABRO CC(C)c1cccc(C(C)C)c1OCC(C)(C)C[NH+]1CCCCC1 ZINC000001734054 563408286 /nfs/dbraw/zinc/40/82/86/563408286.db2.gz DMGLQPFCBFNNSC-UHFFFAOYSA-N 1 0 331.544 5.824 40 0 EKABRO CC(C)c1cc(Br)cc(C(C)C)c1OCCC[NH+](C)C ZINC000001734063 563408352 /nfs/dbraw/zinc/40/83/52/563408352.db2.gz AMOOZJVRUAOOLU-UHFFFAOYSA-N 1 0 342.321 5.026 40 0 EKABRO CC(C)c1cc(Cc2ccccc2)cc(C(C)C)c1OCC[NH+](C)C ZINC000001734064 563408271 /nfs/dbraw/zinc/40/82/71/563408271.db2.gz VYPUJVWNMGIZTO-UHFFFAOYSA-N 1 0 339.523 5.465 40 0 EKABRO C[C@@H](c1ccccc1)c1cc(Cl)cc(Cl)c1OCC[NH+](C)C ZINC000001734067 563408291 /nfs/dbraw/zinc/40/82/91/563408291.db2.gz FUEBKVWDTOLQRH-ZDUSSCGKSA-N 1 0 338.278 5.086 40 0 EKABRO CCCC[N+](CCCC)=c1cc(-c2ccc(Cl)cc2)ss1 ZINC000001735087 563408542 /nfs/dbraw/zinc/40/85/42/563408542.db2.gz QRIMMWVNOQLTFA-UHFFFAOYSA-N 1 0 340.965 5.502 40 0 EKABRO Clc1ccc2c(c1)N(CCC[NH+]1CCCC1)c1ccccc1S2 ZINC000001758741 563409909 /nfs/dbraw/zinc/40/99/09/563409909.db2.gz DUXPOLJSPYEFMP-UHFFFAOYSA-N 1 0 344.911 5.429 40 0 EKABRO CC[NH+](CC)CCOc1ccc([C@H](C)CCc2ccccc2)cc1 ZINC000001758938 563409839 /nfs/dbraw/zinc/40/98/39/563409839.db2.gz YZNHQUZREJWQHF-LJQANCHMSA-N 1 0 325.496 5.144 40 0 EKABRO CCCCC[C@H]1[C@@H](O)C[C@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1 ZINC000001802113 563412871 /nfs/dbraw/zinc/41/28/71/563412871.db2.gz YIBLLNKVEAJJCJ-GSPCLOLRSA-N 1 0 337.507 5.362 40 0 EKABRO CCCC[NH2+][C@@H]1CCC2(SCCS2)c2[nH]c3ccccc3c21 ZINC000001856780 563414384 /nfs/dbraw/zinc/41/43/84/563414384.db2.gz NIXHDTOXNDROPU-OAHLLOKOSA-N 1 0 332.538 5.025 40 0 EKABRO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3C[C@@H](C)CCC=C(C)C ZINC000001866190 563415058 /nfs/dbraw/zinc/41/50/58/563415058.db2.gz MKQRUPCSMDQKBM-YWZLYKJASA-N 1 0 326.484 5.136 40 0 EKABRO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3C[C@H](C)CCC=C(C)C ZINC000001866191 201522161 /nfs/dbraw/zinc/52/21/61/201522161.db2.gz MKQRUPCSMDQKBM-QRWLVFNGSA-N 1 0 326.484 5.136 40 0 EKABRO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3C[C@@H](C)CCC=C(C)C ZINC000001866193 563415028 /nfs/dbraw/zinc/41/50/28/563415028.db2.gz MKQRUPCSMDQKBM-MGPUTAFESA-N 1 0 326.484 5.136 40 0 EKABRO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3C[C@H](C)CCC=C(C)C ZINC000001866194 209802681 /nfs/dbraw/zinc/80/26/81/209802681.db2.gz MKQRUPCSMDQKBM-FOIQADDNSA-N 1 0 326.484 5.136 40 0 EKABRO CC[NH+](CC)CCC[C@H](C)n1c2ccc(Cl)cc2nc1SC ZINC000001873635 563415127 /nfs/dbraw/zinc/41/51/27/563415127.db2.gz WDXHMHWOXHKXEF-ZDUSSCGKSA-N 1 0 339.936 5.095 40 0 EKABRO CC[NH+](CC)CCC[C@H](C)Sc1ccnc2cc(Cl)ccc21 ZINC000001873640 209802599 /nfs/dbraw/zinc/80/25/99/209802599.db2.gz XTURKEKTTBMCQC-AWEZNQCLSA-N 1 0 336.932 5.491 40 0 EKABRO CCCC[NH+](CCCC)C[C@@H](O)c1cccc2cc(Cl)ccc21 ZINC000001996182 563417634 /nfs/dbraw/zinc/41/76/34/563417634.db2.gz IVEOCLBMEDSEPU-HXUWFJFHSA-N 1 0 333.903 5.429 40 0 EKABRO C[NH+](C)CCC[C@H]1c2ccccc2Oc2ccc(C(F)(F)F)cc21 ZINC000002015708 209810735 /nfs/dbraw/zinc/81/07/35/209810735.db2.gz WRNDGAGUUNVEEO-AWEZNQCLSA-N 1 0 335.369 5.285 40 0 in-vitro EKABRO CC[NH+](CC)CCOc1ccc([C@@H](C)CCc2ccccc2)cc1 ZINC000002042102 209814232 /nfs/dbraw/zinc/81/42/32/209814232.db2.gz YZNHQUZREJWQHF-IBGZPJMESA-N 1 0 325.496 5.144 40 0 EKABRO C[C@H](c1ccccc1)c1cc(Cl)cc(Cl)c1OCC[NH+](C)C ZINC000002042222 563419041 /nfs/dbraw/zinc/41/90/41/563419041.db2.gz FUEBKVWDTOLQRH-CYBMUJFWSA-N 1 0 338.278 5.086 40 0 EKABRO CCCCC[NH+](CCCCC)C[C@@H](O)c1ccc(C)c(Cl)c1 ZINC000002042616 563419065 /nfs/dbraw/zinc/41/90/65/563419065.db2.gz ODLHQPYNOGLVNT-LJQANCHMSA-N 1 0 325.924 5.364 40 0 EKABRO CCCCC[NH+](CCCCC)C[C@@H](O)c1cc(C)ccc1Cl ZINC000002042637 563418991 /nfs/dbraw/zinc/41/89/91/563418991.db2.gz NYRHDKKFGFDKBL-LJQANCHMSA-N 1 0 325.924 5.364 40 0 EKABRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(Cl)c(Cl)cc1C ZINC000002042650 563419008 /nfs/dbraw/zinc/41/90/08/563419008.db2.gz MUIYBHKUNWBBCC-QGZVFWFLSA-N 1 0 332.315 5.237 40 0 EKABRO CC[NH+](CC)CCCC[C@@H](C)Nc1ccnc2cc(Cl)ccc21 ZINC000002042668 563419070 /nfs/dbraw/zinc/41/90/70/563419070.db2.gz MXGGYCYYCOWYGB-OAHLLOKOSA-N 1 0 333.907 5.201 40 0 EKABRO CC[NH+](CC)CCC[C@@H](C)Sc1ccnc2cc(Cl)ccc21 ZINC000002042688 563419106 /nfs/dbraw/zinc/41/91/06/563419106.db2.gz XTURKEKTTBMCQC-CQSZACIVSA-N 1 0 336.932 5.491 40 0 EKABRO CC[NH+](CC)CCC[C@@H](C)n1c2ccc(Cl)cc2nc1SC ZINC000002042691 563419451 /nfs/dbraw/zinc/41/94/51/563419451.db2.gz WDXHMHWOXHKXEF-CYBMUJFWSA-N 1 0 339.936 5.095 40 0 EKABRO CCCC[NH+](CCCC)C[C@@H](O)c1ccc(Cl)c(C)c1Cl ZINC000002042716 209814449 /nfs/dbraw/zinc/81/44/49/209814449.db2.gz SGEGJUUAHSLYGV-MRXNPFEDSA-N 1 0 332.315 5.237 40 0 EKABRO C[N@@H+]1CCC(=C(c2ccccc2)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000002044725 563419461 /nfs/dbraw/zinc/41/94/61/563419461.db2.gz GWAHCEODORVIBC-XMMPIXPASA-N 1 0 339.482 5.608 40 0 EKABRO c1[nH]c2ccccc2c1CCCC[N@H+]1CC=C(c2ccccc2)CC1 ZINC000002541533 563439900 /nfs/dbraw/zinc/43/99/00/563439900.db2.gz AACJICLCLVMZKK-UHFFFAOYSA-N 1 0 330.475 5.280 40 0 EKABRO c1ccc2c(c1)cccc2CC[NH2+]CCc1cccc2ccccc21 ZINC000002553842 564177451 /nfs/dbraw/zinc/17/74/51/564177451.db2.gz RIPIFNAPPCVSQV-UHFFFAOYSA-N 1 0 325.455 5.368 40 0 EKABRO CC(C)(C)c1cc(C[NH2+]Cc2ccccc2)cc(C(C)(C)C)c1O ZINC000002565330 209868478 /nfs/dbraw/zinc/86/84/78/209868478.db2.gz IJYNZETULFXFCV-UHFFFAOYSA-N 1 0 325.496 5.277 40 0 EKABRO CC1(C)c2ccccc2[N+]2=C1C[C@]1(C)N(CC2)c2ccccc2C1(C)C ZINC000003066063 209959334 /nfs/dbraw/zinc/95/93/34/209959334.db2.gz YLOKGGNAENHJGL-DEOSSOPVSA-N 1 0 345.510 5.023 40 0 EKABRO CC1(C)c2ccccc2[N+]2=C1C[C@@]1(C)N(CC2)c2ccccc2C1(C)C ZINC000003066065 564154894 /nfs/dbraw/zinc/15/48/94/564154894.db2.gz YLOKGGNAENHJGL-XMMPIXPASA-N 1 0 345.510 5.023 40 0 EKABRO Cc1ccc(-c2nnc([C@@H](c3ccccc3)[NH+]3CCCCCC3)o2)cc1 ZINC000003087160 564155066 /nfs/dbraw/zinc/15/50/66/564155066.db2.gz LIRZCVWICQXUIB-HXUWFJFHSA-N 1 0 347.462 5.010 40 0 EKABRO Cc1ccc(-c2nnc([C@H](c3ccccc3)[NH+]3CCCCCC3)o2)cc1 ZINC000003087161 564155056 /nfs/dbraw/zinc/15/50/56/564155056.db2.gz LIRZCVWICQXUIB-FQEVSTJZSA-N 1 0 347.462 5.010 40 0 EKABRO Cc1ccc(-c2cc(-c3ccccc3)[n+](C)c(-c3ccccc3)c2)cc1 ZINC000003130560 564026160 /nfs/dbraw/zinc/02/61/60/564026160.db2.gz FJKULESPNUWXLB-UHFFFAOYSA-N 1 0 336.458 5.821 40 0 EKABRO Oc1ccc(-c2cc(-c3ccccc3)[o+]c(-c3ccccc3)c2)cc1 ZINC000003130588 564013607 /nfs/dbraw/zinc/01/36/07/564013607.db2.gz PLFHCHUCVDRUTA-UHFFFAOYSA-O 1 0 325.387 6.267 40 0 EKABRO CCCCOP(COCCC)[NH2+]P(C(C)(C)C)C(C)(C)C ZINC000003154610 564155550 /nfs/dbraw/zinc/15/55/50/564155550.db2.gz BSQXIMCYLHAMOB-UHFFFAOYSA-N 1 0 337.425 6.083 40 0 EKABRO C[n+]1c(-c2ccccc2)cc(-c2ccc(O)cc2)cc1-c1ccccc1 ZINC000003185737 564004100 /nfs/dbraw/zinc/00/41/00/564004100.db2.gz UTSXMSSCYZLPHT-UHFFFAOYSA-O 1 0 338.430 5.218 40 0 EKABRO Cc1ccc(CC2(OCC[NH+](C)C)CCC(C(C)(C)C)CC2)cc1 ZINC000003593044 210060947 /nfs/dbraw/zinc/06/09/47/210060947.db2.gz CFWGNVBFLHVDSZ-UHFFFAOYSA-N 1 0 331.544 5.091 40 0 EKABRO Clc1ccc(Oc2ccccc2OCCC[NH+]2CCCCC2)cc1 ZINC000003610753 210066505 /nfs/dbraw/zinc/06/65/05/210066505.db2.gz BWIDZBHWNCKQHG-UHFFFAOYSA-N 1 0 345.870 5.387 40 0 EKABRO CCCCCCC(=O)C[C@@H](SCC[NH3+])c1ccccc1Cl ZINC000003647285 563487448 /nfs/dbraw/zinc/48/74/48/563487448.db2.gz YQQARFOSNBCVNM-QGZVFWFLSA-N 1 0 327.921 5.003 40 0 EKABRO C[N@@H+]1CCC[C@@H]1CCO[C@@](C)(c1ccccc1)c1ccc(Cl)cc1 ZINC000003830574 210078795 /nfs/dbraw/zinc/07/87/95/210078795.db2.gz YNNUSGIPVFPVBX-RTWAWAEBSA-N 1 0 343.898 5.104 40 0 world EKABRO CCCCC[C@H]1[C@H](O)C[C@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1 ZINC000004011380 210100352 /nfs/dbraw/zinc/10/03/52/210100352.db2.gz YIBLLNKVEAJJCJ-WBADGQHESA-N 1 0 337.507 5.362 40 0 EKABRO CCCCC[C@@H]1[C@@H](O)C[C@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1 ZINC000004011381 210099874 /nfs/dbraw/zinc/09/98/74/210099874.db2.gz YIBLLNKVEAJJCJ-BXXSPATCSA-N 1 0 337.507 5.362 40 0 EKABRO CCC[C@@]1(O)C[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1C(C)C ZINC000004084638 564053628 /nfs/dbraw/zinc/05/36/28/564053628.db2.gz VKZWRJPZKYCXEQ-KAOXLYBCSA-N 1 0 337.507 5.266 40 0 EKABRO CCC[C@]1(O)C[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1C(C)C ZINC000004084641 210116781 /nfs/dbraw/zinc/11/67/81/210116781.db2.gz VKZWRJPZKYCXEQ-GPJHCHHRSA-N 1 0 337.507 5.266 40 0 EKABRO CCC[C@@]1(O)C[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1C(C)C ZINC000004084642 210115762 /nfs/dbraw/zinc/11/57/62/210115762.db2.gz VKZWRJPZKYCXEQ-MYDTUXCISA-N 1 0 337.507 5.266 40 0 EKABRO CC(C)C1(O)[C@H](C)[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)[C@@H]1C ZINC000004143644 564026589 /nfs/dbraw/zinc/02/65/89/564026589.db2.gz QTCCWCRPTWVSSV-USSLWURLSA-N 1 0 337.507 5.074 40 0 EKABRO CC(C)C1(O)[C@@H](C)[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)[C@@H]1C ZINC000004143645 210132864 /nfs/dbraw/zinc/13/28/64/210132864.db2.gz QTCCWCRPTWVSSV-CZQWAENCSA-N 1 0 337.507 5.074 40 0 EKABRO CC(C)C1(O)[C@H](C)[C@@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)[C@@H]1C ZINC000004143646 210132118 /nfs/dbraw/zinc/13/21/18/210132118.db2.gz QTCCWCRPTWVSSV-ZJJAWJATSA-N 1 0 337.507 5.074 40 0 EKABRO CC(C)C1(O)[C@@H](C)[C@@H](c2ccccc2)[NH+](C)[C@H](c2ccccc2)[C@@H]1C ZINC000004143647 564026605 /nfs/dbraw/zinc/02/66/05/564026605.db2.gz QTCCWCRPTWVSSV-GPHNJDIKSA-N 1 0 337.507 5.074 40 0 EKABRO CCOc1cc(-c2ccc(O)cc2)cc(OCC)c2c(C)[o+]c(C)c1-2 ZINC000004365815 210181005 /nfs/dbraw/zinc/18/10/05/210181005.db2.gz KIZDKAWAHXKSCQ-UHFFFAOYSA-O 1 0 339.411 5.452 40 0 EKABRO CCCC[C@@H](c1ccccc1)[N@H+](C)C[C@H](O)c1ccc(Cl)cc1 ZINC000004416429 563502482 /nfs/dbraw/zinc/50/24/82/563502482.db2.gz FEJCWBIFNFWDAV-PMACEKPBSA-N 1 0 331.887 5.237 40 0 EKABRO CCCC[C@H](c1ccccc1)[N@H+](C)C[C@H](O)c1ccc(Cl)cc1 ZINC000004416430 210190380 /nfs/dbraw/zinc/19/03/80/210190380.db2.gz FEJCWBIFNFWDAV-UXHICEINSA-N 1 0 331.887 5.237 40 0 EKABRO CCCCOC[NH+](C[C@@H](CC)CCCC)C[C@@H](CC)CCCC ZINC000004416561 201600533 /nfs/dbraw/zinc/60/05/33/201600533.db2.gz RWDHUSBRENEAAI-SFTDATJTSA-N 1 0 327.597 6.495 40 0 EKABRO CCCCOC[NH+](C[C@H](CC)CCCC)C[C@H](CC)CCCC ZINC000004416562 210191226 /nfs/dbraw/zinc/19/12/26/210191226.db2.gz RWDHUSBRENEAAI-NHCUHLMSSA-N 1 0 327.597 6.495 40 0 EKABRO CCCCOC[N@@H+](C[C@H](CC)CCCC)C[C@@H](CC)CCCC ZINC000004416563 210190156 /nfs/dbraw/zinc/19/01/56/210190156.db2.gz RWDHUSBRENEAAI-OYRHEFFESA-N 1 0 327.597 6.495 40 0 EKABRO CC(C)c1ccc2c(c1)CC[C@@H]1[C@@H]2CCC[C@@]1(C)[NH2+]Cc1ccccc1 ZINC000004428477 210192653 /nfs/dbraw/zinc/19/26/53/210192653.db2.gz MMVNVYJRDHSDSD-UBFVSLLYSA-N 1 0 347.546 6.188 40 0 EKABRO CC(C)c1ccc2c(c1)CC[C@H]1[C@@H]2CCC[C@@]1(C)[NH2+]Cc1ccccc1 ZINC000004428478 210192242 /nfs/dbraw/zinc/19/22/42/210192242.db2.gz MMVNVYJRDHSDSD-DSNGMDLFSA-N 1 0 347.546 6.188 40 0 EKABRO CC(C)c1ccc2c(c1)CC[C@@H]1[C@H]2CCC[C@@]1(C)[NH2+]Cc1ccccc1 ZINC000004428480 563502885 /nfs/dbraw/zinc/50/28/85/563502885.db2.gz MMVNVYJRDHSDSD-ISJGIBHGSA-N 1 0 347.546 6.188 40 0 EKABRO CC(C)c1ccc2c(c1)CC[C@H]1[C@H]2CCC[C@@]1(C)[NH2+]Cc1ccccc1 ZINC000004428482 210192114 /nfs/dbraw/zinc/19/21/14/210192114.db2.gz MMVNVYJRDHSDSD-CCDWMCETSA-N 1 0 347.546 6.188 40 0 EKABRO O[C@H](C[NH+]1CCCCC1)c1ccc(/C=C\c2ccc(Cl)cc2)cc1 ZINC000004537494 210216969 /nfs/dbraw/zinc/21/69/69/210216969.db2.gz QJUBRQLMPOZVNB-OLEQZPESSA-N 1 0 341.882 5.030 40 0 EKABRO O[C@@H](C[NH+]1CCCCC1)c1ccc(/C=C\c2ccc(Cl)cc2)cc1 ZINC000004537497 210216444 /nfs/dbraw/zinc/21/64/44/210216444.db2.gz QJUBRQLMPOZVNB-NYPGBQQYSA-N 1 0 341.882 5.030 40 0 EKABRO NC(=[NH2+])S[C@@H]1c2cc(Cl)ccc2-c2c1cc(Cl)cc2Cl ZINC000004620814 563506158 /nfs/dbraw/zinc/50/61/58/563506158.db2.gz QOMOBYIZFILMDC-CYBMUJFWSA-N 1 0 343.666 5.343 40 0 EKABRO c1ccc(Cc2cccc[n+]2C(c2ccccc2)c2ccccc2)cc1 ZINC000004683560 563507629 /nfs/dbraw/zinc/50/76/29/563507629.db2.gz YZPUSXUPQYDANY-UHFFFAOYSA-N 1 0 336.458 5.203 40 0 EKABRO [NH3+][C@H]1[C@@H](c2ccccc2)CC[C@@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000004782893 563511333 /nfs/dbraw/zinc/51/13/33/563511333.db2.gz LIMBBOCCFYASJS-KEZOAJOQSA-N 1 0 327.471 5.459 40 0 EKABRO [NH3+][C@H]1[C@@H](c2ccccc2)CC[C@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000004782894 210277044 /nfs/dbraw/zinc/27/70/44/210277044.db2.gz LIMBBOCCFYASJS-YCAMKHIRSA-N 1 0 327.471 5.459 40 0 EKABRO [NH3+][C@H]1[C@H](c2ccccc2)CC[C@@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000004782895 563511263 /nfs/dbraw/zinc/51/12/63/563511263.db2.gz LIMBBOCCFYASJS-XQUALCHDSA-N 1 0 327.471 5.459 40 0 EKABRO [NH3+][C@H]1[C@H](c2ccccc2)CC[C@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000004782896 210276612 /nfs/dbraw/zinc/27/66/12/210276612.db2.gz LIMBBOCCFYASJS-QPXUXIHVSA-N 1 0 327.471 5.459 40 0 EKABRO CC[N+]1=C(/C=C/c2ccc3cccnc3c2O)C(C)(C)c2ccccc21 ZINC000004824331 210289305 /nfs/dbraw/zinc/28/93/05/210289305.db2.gz RXKPKWYXHUISPA-UHFFFAOYSA-O 1 0 343.450 5.050 40 0 EKABRO Cc1cc(C)c(NC(=O)CCCCC[NH2+]C2CCCCC2)c(C)c1 ZINC000004893733 564005524 /nfs/dbraw/zinc/00/55/24/564005524.db2.gz AGINOAVRERDORS-UHFFFAOYSA-N 1 0 330.516 5.033 40 0 EKABRO CCC1(C[C@H]2CCC[N@H+](C)C2)c2ccccc2Sc2ccccc21 ZINC000004895977 563514535 /nfs/dbraw/zinc/51/45/35/563514535.db2.gz DNNSAMRVVMKCTM-QGZVFWFLSA-N 1 0 337.532 5.579 40 0 EKABRO CC[NH+](CC)CCOC(=O)C1(CCC2CCCCC2)CCCCC1 ZINC000004896174 210314467 /nfs/dbraw/zinc/31/44/67/210314467.db2.gz NKBINAVDRXPTFP-UHFFFAOYSA-N 1 0 337.548 5.182 40 0 EKABRO CCCCC1(O)[C@@H](C)[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1C ZINC000004899220 210315580 /nfs/dbraw/zinc/31/55/80/210315580.db2.gz CILLEQOHMDEEAL-GPHNJDIKSA-N 1 0 337.507 5.266 40 0 EKABRO COc1ccc([C@@H](CC[N@@H+]2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 ZINC000004934856 210328410 /nfs/dbraw/zinc/32/84/10/210328410.db2.gz ZXMNEGRPJLYERL-SKPFHBQLSA-N 1 0 349.518 5.339 40 0 EKABRO Cc1cccc(C[NH+](C)C)c1C=C(c1ccccc1)c1ccccc1 ZINC000004974324 210345091 /nfs/dbraw/zinc/34/50/91/210345091.db2.gz UALMXIOMVGLJGH-UHFFFAOYSA-N 1 0 327.471 5.646 40 0 EKABRO Cc1cccc(Cc2ccccc2C(=[NH2+])c2c(C)cccc2C)c1C ZINC000004974851 210344923 /nfs/dbraw/zinc/34/49/23/210344923.db2.gz QQNYFBNJRYNEOK-UHFFFAOYSA-N 1 0 327.471 5.927 40 0 EKABRO Cc1ccc(C(=[NH2+])c2ccccc2Cc2cccc3ccccc32)c(C)c1 ZINC000004974855 210345293 /nfs/dbraw/zinc/34/52/93/210345293.db2.gz NPTFHXHFDDIVIU-UHFFFAOYSA-N 1 0 349.477 6.464 40 0 EKABRO Cc1ccc(C)c(C(=[NH2+])c2ccccc2Cc2cccc3ccccc32)c1 ZINC000004974856 210344990 /nfs/dbraw/zinc/34/49/90/210344990.db2.gz RBDKFMIOABXIMI-UHFFFAOYSA-N 1 0 349.477 6.464 40 0 EKABRO CCCC1(O)[C@@H](C)[C@@H](c2ccccc2)[NH+](C)[C@H](c2ccccc2)[C@@H]1C ZINC000004991864 210353220 /nfs/dbraw/zinc/35/32/20/210353220.db2.gz QYKFGQQFZQYMFW-GPHNJDIKSA-N 1 0 337.507 5.218 40 0 EKABRO NC(=[NH2+])S[C@H]1c2cc(Cl)ccc2-c2c1cc(Cl)cc2Cl ZINC000005004056 210359187 /nfs/dbraw/zinc/35/91/87/210359187.db2.gz QOMOBYIZFILMDC-ZDUSSCGKSA-N 1 0 343.666 5.343 40 0 EKABRO C[N+]1=C(/C=C\c2ccc(O)c3ccccc23)C(C)(C)c2ccccc21 ZINC000005049318 210374593 /nfs/dbraw/zinc/37/45/93/210374593.db2.gz TVYPIJYGUMKRJV-UHFFFAOYSA-O 1 0 328.435 5.265 40 0 EKABRO CCOc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1CC(c1ccc(C)cc1)C2 ZINC000005059311 564005774 /nfs/dbraw/zinc/00/57/74/564005774.db2.gz WQOSKDXGMMHOKK-FRIKZZABSA-N 1 0 335.491 5.304 40 0 EKABRO CC[NH+](CC)C[C@@H](C)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000005333439 564031951 /nfs/dbraw/zinc/03/19/51/564031951.db2.gz OSRHRKZKAYRCMF-CQSZACIVSA-N 1 0 346.927 5.673 40 0 EKABRO CC[NH+](CC)C[C@H](C)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000005333445 564031963 /nfs/dbraw/zinc/03/19/63/564031963.db2.gz OSRHRKZKAYRCMF-AWEZNQCLSA-N 1 0 346.927 5.673 40 0 EKABRO CC[n+]1c(-c2ccccc2)cc(-c2ccc(C)cc2)c2c1CCCC2 ZINC000005339976 564031982 /nfs/dbraw/zinc/03/19/82/564031982.db2.gz VOPVJVKXZZDVED-UHFFFAOYSA-N 1 0 328.479 5.515 40 0 EKABRO CCCCC[C@@H](C[NH+](C)C)[C@H](O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000005385190 210455501 /nfs/dbraw/zinc/45/55/01/210455501.db2.gz WCYCZNSVADQWAW-QGLFLDNSSA-N 1 0 344.326 5.126 40 0 EKABRO CCCCC[C@H](C[NH+](C)C)[C@H](O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000005385192 210454289 /nfs/dbraw/zinc/45/42/89/210454289.db2.gz WCYCZNSVADQWAW-CLXRJOFESA-N 1 0 344.326 5.126 40 0 EKABRO Cc1ccc(C[n+]2ccc(-c3ccccc3)cc2-c2ccccc2)cc1 ZINC000005414197 564032142 /nfs/dbraw/zinc/03/21/42/564032142.db2.gz OKJGWEVMLAPLOL-UHFFFAOYSA-N 1 0 336.458 5.665 40 0 EKABRO C[C@@]12CC(C)(C)CC(=O)[C@@H]1[C@H](c1ccccc1)[NH2+][C@@H]2c1ccccc1 ZINC000005415008 210459402 /nfs/dbraw/zinc/45/94/02/210459402.db2.gz CIMULNHZAFWYPH-ADYITMSISA-N 1 0 333.475 5.084 40 0 EKABRO C[C@@]12CC(C)(C)CC(=O)[C@@H]1[C@@H](c1ccccc1)[NH2+][C@@H]2c1ccccc1 ZINC000005415011 564014063 /nfs/dbraw/zinc/01/40/63/564014063.db2.gz CIMULNHZAFWYPH-YYTDSSBASA-N 1 0 333.475 5.084 40 0 EKABRO C[C@@]12CC(C)(C)CC(=O)[C@H]1[C@H](c1ccccc1)[NH2+][C@@H]2c1ccccc1 ZINC000005415022 210459008 /nfs/dbraw/zinc/45/90/08/210459008.db2.gz CIMULNHZAFWYPH-NNXSRULWSA-N 1 0 333.475 5.084 40 0 EKABRO C[C@@]12CC(C)(C)CC(=O)[C@H]1[C@@H](c1ccccc1)[NH2+][C@@H]2c1ccccc1 ZINC000005415025 564014037 /nfs/dbraw/zinc/01/40/37/564014037.db2.gz CIMULNHZAFWYPH-ZZLPTCMGSA-N 1 0 333.475 5.084 40 0 EKABRO CC[NH+](CC)CCOc1ccccc1Cc1ccc2ccccc2c1 ZINC000005469611 210469255 /nfs/dbraw/zinc/46/92/55/210469255.db2.gz FBOUIPOPXGQELR-UHFFFAOYSA-N 1 0 333.475 5.151 40 0 EKABRO CCCCC[NH+](CCCCC)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000005524359 563536949 /nfs/dbraw/zinc/53/69/49/563536949.db2.gz BXEWHHRSESPULZ-GOSISDBHSA-N 1 0 346.342 5.709 40 0 EKABRO CCCC[NH2+][C@H]1CCC2(SCCS2)c2[nH]c3ccccc3c21 ZINC000005783741 563550374 /nfs/dbraw/zinc/55/03/74/563550374.db2.gz NIXHDTOXNDROPU-HNNXBMFYSA-N 1 0 332.538 5.025 40 0 EKABRO CC[NH+](CC)CCC[C@H](C)Nc1cc(C)c2nc(C)cc(C)c2c1C ZINC000005839637 563551914 /nfs/dbraw/zinc/55/19/14/563551914.db2.gz CWVBWYLYLRXCIV-KRWDZBQOSA-N 1 0 341.543 5.391 40 0 EKABRO CCCCC[NH+](CCCCC)CC[C@@H](O)c1cccc2ccccc21 ZINC000005973195 563556220 /nfs/dbraw/zinc/55/62/20/563556220.db2.gz RYCGPGIFKVZHKQ-HSZRJFAPSA-N 1 0 341.539 5.946 40 0 EKABRO CCCCC[NH+](CCCCC)C[C@@H](O)c1cc(Cl)ccc1OC ZINC000005973201 563556208 /nfs/dbraw/zinc/55/62/08/563556208.db2.gz DTMYUHUPXXNNGM-GOSISDBHSA-N 1 0 341.923 5.064 40 0 EKABRO CCCC[NH+](CCCC)CC[C@@H](O)c1ccc(OC)c2ccccc21 ZINC000005973415 563556226 /nfs/dbraw/zinc/55/62/26/563556226.db2.gz WYVNVBBCQZIRJQ-OAQYLSRUSA-N 1 0 343.511 5.174 40 0 EKABRO CCCC[NH+](CCCC)CC[C@@](C)(O)c1cccc2ccccc21 ZINC000005973417 201670097 /nfs/dbraw/zinc/67/00/97/201670097.db2.gz VVPSBCPSPBTMRV-JOCHJYFZSA-N 1 0 327.512 5.340 40 0 EKABRO CCCC[NH+](CCCC)C[C@@H](O)c1ccc(Cl)c2ccccc21 ZINC000005973435 563556217 /nfs/dbraw/zinc/55/62/17/563556217.db2.gz ZDTIUXNNBFKOPX-HXUWFJFHSA-N 1 0 333.903 5.429 40 0 EKABRO CCCC[NH+](CCCC)C[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000005973443 564014379 /nfs/dbraw/zinc/01/43/79/564014379.db2.gz ADIOZUAFIPJRTL-JOCHJYFZSA-N 1 0 325.496 5.289 40 0 EKABRO CCCC[NH+](CCCC)C[C@@H](O)c1cccc2c(Cl)cccc21 ZINC000005973450 563556723 /nfs/dbraw/zinc/55/67/23/563556723.db2.gz UNDJJQZPUWTBKI-HXUWFJFHSA-N 1 0 333.903 5.429 40 0 EKABRO CCC(Cc1[o+]c2cc3ccccc3cc2n1CC)=Nc1ccccc1 ZINC000006077062 564033142 /nfs/dbraw/zinc/03/31/42/564033142.db2.gz PXIJCSZNPGOKCC-UHFFFAOYSA-O 1 0 343.450 5.756 40 0 EKABRO CCC[NH+](CCC)CC(C)(C)[C@@H](O)c1ccc(OC)c2ccccc21 ZINC000006380150 563566355 /nfs/dbraw/zinc/56/63/55/563566355.db2.gz VSWNPKYWDNNAAH-NRFANRHFSA-N 1 0 343.511 5.030 40 0 EKABRO CCC[NH+](CCC)CC[C@@H](O)c1cc2c(c3ccccc31)CCCC2 ZINC000006380162 563566528 /nfs/dbraw/zinc/56/65/28/563566528.db2.gz XASXMEKXZPGFQK-HSZRJFAPSA-N 1 0 339.523 5.264 40 0 EKABRO CC[NH+](CC)CCCO[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000006381954 210626725 /nfs/dbraw/zinc/62/67/25/210626725.db2.gz OBZYMERBHFKYTP-HXUWFJFHSA-N 1 0 331.887 5.178 40 0 EKABRO C[C@H]([NH2+]Cc1cccc(Br)c1)C12CC3CC(CC(C3)C1)C2 ZINC000006467886 206397356 /nfs/dbraw/zinc/39/73/56/206397356.db2.gz NGYSYMVTYBPCTL-GOBPUOAWSA-N 1 0 348.328 5.144 40 0 EKABRO C[C@@H]([NH2+]Cc1cccc(Br)c1)C12CC3CC(CC(C3)C1)C2 ZINC000006468820 210635935 /nfs/dbraw/zinc/63/59/35/210635935.db2.gz NGYSYMVTYBPCTL-SALMBKGGSA-N 1 0 348.328 5.144 40 0 EKABRO Fc1ccc([C@H](CC[NH+]2CC3CCC(CC3)C2)c2ccccc2)cc1 ZINC000006581817 210658198 /nfs/dbraw/zinc/65/81/98/210658198.db2.gz AYZADYBJJUWYON-MTNXOHHFSA-N 1 0 337.482 5.470 40 0 EKABRO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(OCc2cccs2)cc1 ZINC000006857393 564015161 /nfs/dbraw/zinc/01/51/61/564015161.db2.gz QTHXSIVYPRSGFJ-UHFFFAOYSA-N 1 0 331.525 5.632 40 0 EKABRO COC(=O)c1ccc(-c2ccc(C[NH2+]C(C)(C)CC(C)(C)C)o2)cc1 ZINC000006857405 564015172 /nfs/dbraw/zinc/01/51/72/564015172.db2.gz MDIKKMMENISDBG-UHFFFAOYSA-N 1 0 343.467 5.038 40 0 EKABRO CCCCCC[NH2+]Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000007261022 564015428 /nfs/dbraw/zinc/01/54/28/564015428.db2.gz IWNGTKWMTKJQFX-UHFFFAOYSA-N 1 0 333.497 5.006 40 0 EKABRO CCCCCC[NH2+]Cc1ccc(OCc2cccs2)c(OCC)c1 ZINC000007261031 564015420 /nfs/dbraw/zinc/01/54/20/564015420.db2.gz LVBCEHXDOLWATI-UHFFFAOYSA-N 1 0 347.524 5.396 40 0 EKABRO CCCCC[NH2+]Cc1ccc(OCc2cccs2)c(OCC)c1 ZINC000007261300 564015433 /nfs/dbraw/zinc/01/54/33/564015433.db2.gz NUYRLCLFZVHTMO-UHFFFAOYSA-N 1 0 333.497 5.006 40 0 EKABRO c1csc(COc2ccc(C[NH2+]C3CCCCCCC3)cc2)c1 ZINC000007524056 564015612 /nfs/dbraw/zinc/01/56/12/564015612.db2.gz LXGZJKFAQWKPMD-UHFFFAOYSA-N 1 0 329.509 5.530 40 0 EKABRO COc1ccc(Cl)cc1C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000007524065 564015636 /nfs/dbraw/zinc/01/56/36/564015636.db2.gz JHOZVVORNBQQOH-IVKJLDKCSA-N 1 0 333.903 5.043 40 0 EKABRO COc1ccc(Cl)cc1C[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000007524069 564015619 /nfs/dbraw/zinc/01/56/19/564015619.db2.gz JHOZVVORNBQQOH-XXWNAHEMSA-N 1 0 333.903 5.043 40 0 EKABRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000007524185 564015607 /nfs/dbraw/zinc/01/56/07/564015607.db2.gz ZNQJPIPOTKZLCW-LXGFQCHUSA-N 1 0 335.491 5.641 40 0 EKABRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000007524190 257864832 /nfs/dbraw/zinc/86/48/32/257864832.db2.gz ZNQJPIPOTKZLCW-DNBYOKIBSA-N 1 0 335.491 5.641 40 0 EKABRO C[C@H](O)c1ccc(-c2ccc(C[NH2+]C(C)(C)CC(C)(C)C)o2)cc1 ZINC000007541219 564015634 /nfs/dbraw/zinc/01/56/34/564015634.db2.gz JXGCLOSWJXUOFN-HNNXBMFYSA-N 1 0 329.484 5.304 40 0 EKABRO C[C@@H](O)c1ccc(-c2ccc(C[NH2+]C(C)(C)CC(C)(C)C)o2)cc1 ZINC000007541224 564015622 /nfs/dbraw/zinc/01/56/22/564015622.db2.gz JXGCLOSWJXUOFN-OAHLLOKOSA-N 1 0 329.484 5.304 40 0 EKABRO C[C@H](O)c1ccc(-c2ccc(C[NH2+]C3CCCCCCC3)o2)cc1 ZINC000007541229 564015642 /nfs/dbraw/zinc/01/56/42/564015642.db2.gz VWNFXIXYDVFQRI-INIZCTEOSA-N 1 0 327.468 5.202 40 0 EKABRO C[C@@H](O)c1ccc(-c2ccc(C[NH2+]C3CCCCCCC3)o2)cc1 ZINC000007541233 564015641 /nfs/dbraw/zinc/01/56/41/564015641.db2.gz VWNFXIXYDVFQRI-MRXNPFEDSA-N 1 0 327.468 5.202 40 0 EKABRO C[C@H](CC1CCCCC1)[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000008143686 210902404 /nfs/dbraw/zinc/90/24/04/210902404.db2.gz HTAFVGKAHGNWQO-HXUWFJFHSA-N 1 0 335.535 6.157 40 0 in-man EKABRO CCOc1cc(C[NH2+]C2CCCCC2)ccc1OCc1cccs1 ZINC000008254734 257863490 /nfs/dbraw/zinc/86/34/90/257863490.db2.gz DOCNPBSQCKZZNO-UHFFFAOYSA-N 1 0 345.508 5.148 40 0 EKABRO CCOc1ccc(Cl)cc1C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000008324591 206528267 /nfs/dbraw/zinc/52/82/67/206528267.db2.gz FCOLWYNEUOYYPI-HILYYZTDSA-N 1 0 347.930 5.433 40 0 EKABRO CCOc1ccc(Cl)cc1C[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000008324595 564016096 /nfs/dbraw/zinc/01/60/96/564016096.db2.gz FCOLWYNEUOYYPI-LFPRZYRFSA-N 1 0 347.930 5.433 40 0 EKABRO C[C@H]([NH2+]Cc1c(Cl)cccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000008497286 564016267 /nfs/dbraw/zinc/01/62/67/564016267.db2.gz OARFKBXQFLSDFD-UHSVVUDUSA-N 1 0 338.322 5.688 40 0 EKABRO COc1ccc2ccccc2c1C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000008497288 564016283 /nfs/dbraw/zinc/01/62/83/564016283.db2.gz WGFPWWVTDPCEFA-RNXZQOMOSA-N 1 0 349.518 5.543 40 0 EKABRO C[C@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)C12CC3CC(CC(C3)C1)C2 ZINC000008497308 564016290 /nfs/dbraw/zinc/01/62/90/564016290.db2.gz DYWURWLOFXNSSZ-BGUCANKRSA-N 1 0 338.322 5.688 40 0 EKABRO C[C@H]([NH2+]Cc1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000008497333 564016274 /nfs/dbraw/zinc/01/62/74/564016274.db2.gz OKMHVJQCFCLXDA-GOBPUOAWSA-N 1 0 348.328 5.144 40 0 EKABRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000008497357 257862941 /nfs/dbraw/zinc/86/29/41/257862941.db2.gz MMVLLBOTYXLKSP-XUXNDYAISA-N 1 0 345.530 6.048 40 0 EKABRO C[C@H]([NH2+]Cc1ccc(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000008497359 206530659 /nfs/dbraw/zinc/53/06/59/206530659.db2.gz IXAUNEDMELJMMM-UHSVVUDUSA-N 1 0 338.322 5.688 40 0 EKABRO C[C@H]([NH2+]Cc1cccc(Cl)c1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000008497381 564016270 /nfs/dbraw/zinc/01/62/70/564016270.db2.gz WRVYUCDFBSZMKQ-UHSVVUDUSA-N 1 0 338.322 5.688 40 0 EKABRO C[C@@H]([NH2+]Cc1c(Cl)cccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000008534846 564016304 /nfs/dbraw/zinc/01/63/04/564016304.db2.gz OARFKBXQFLSDFD-XUXNNNHQSA-N 1 0 338.322 5.688 40 0 EKABRO COc1ccc2ccccc2c1C[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000008534847 564016314 /nfs/dbraw/zinc/01/63/14/564016314.db2.gz WGFPWWVTDPCEFA-NXTQRVMMSA-N 1 0 349.518 5.543 40 0 EKABRO C[C@@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)C12CC3CC(CC(C3)C1)C2 ZINC000008534855 564016303 /nfs/dbraw/zinc/01/63/03/564016303.db2.gz DYWURWLOFXNSSZ-GUBDFHHESA-N 1 0 338.322 5.688 40 0 EKABRO C[C@@H]([NH2+]Cc1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000008534863 210963544 /nfs/dbraw/zinc/96/35/44/210963544.db2.gz OKMHVJQCFCLXDA-SALMBKGGSA-N 1 0 348.328 5.144 40 0 EKABRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000008534872 564016332 /nfs/dbraw/zinc/01/63/32/564016332.db2.gz MMVLLBOTYXLKSP-NCJOGADSSA-N 1 0 345.530 6.048 40 0 EKABRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000008534873 564016328 /nfs/dbraw/zinc/01/63/28/564016328.db2.gz IXAUNEDMELJMMM-XUXNNNHQSA-N 1 0 338.322 5.688 40 0 EKABRO C[C@@H]([NH2+]Cc1cccc(Cl)c1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000008534882 564016371 /nfs/dbraw/zinc/01/63/71/564016371.db2.gz WRVYUCDFBSZMKQ-XUXNNNHQSA-N 1 0 338.322 5.688 40 0 EKABRO C(=C\[n+]1cc(-c2ccccc2)cc(-c2ccccc2)c1)\c1ccccc1 ZINC000008618959 210974547 /nfs/dbraw/zinc/97/45/47/210974547.db2.gz QINOPOBZLLWFAN-MSUUIHNZSA-N 1 0 334.442 5.936 40 0 EKABRO CCCC[NH+](CCCC)Cc1c(C)[nH]c2ccc(Cl)cc2c1=O ZINC000008700887 563635740 /nfs/dbraw/zinc/63/57/40/563635740.db2.gz WHTZTXVVHOHTLS-UHFFFAOYSA-N 1 0 334.891 5.304 40 0 EKABRO CCCCC1(O)[C@H](C)[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1C ZINC000009019636 211031543 /nfs/dbraw/zinc/03/15/43/211031543.db2.gz CILLEQOHMDEEAL-USSLWURLSA-N 1 0 337.507 5.266 40 0 EKABRO O=C(Nc1ccc2ccccc2c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010334127 563647220 /nfs/dbraw/zinc/64/72/20/563647220.db2.gz CIUWSLDIHVKFND-UHFFFAOYSA-N 1 0 344.458 5.078 40 0 EKABRO O=C(Nc1cccc2ccccc21)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010364589 564127803 /nfs/dbraw/zinc/12/78/03/564127803.db2.gz XTVPATJYJCHDCR-UHFFFAOYSA-N 1 0 344.458 5.078 40 0 EKABRO CC(C)c1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000010371235 564017343 /nfs/dbraw/zinc/01/73/43/564017343.db2.gz QHKDSOHRCKRGEL-UHFFFAOYSA-N 1 0 336.479 5.048 40 0 EKABRO C[C@@H](CC1CCCCC1)[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000011679611 211233104 /nfs/dbraw/zinc/23/31/04/211233104.db2.gz HTAFVGKAHGNWQO-FQEVSTJZSA-N 1 0 335.535 6.157 40 0 in-man EKABRO C/C(=C\c1ccccc1)C[NH2+][C@@H](Cc1ccsc1)c1nccs1 ZINC000012219349 211322894 /nfs/dbraw/zinc/32/28/94/211322894.db2.gz ZAPCKDIDFHXCIM-OTMARIDSSA-N 1 0 340.517 5.182 40 0 EKABRO C/C(=C\c1ccccc1)C[NH2+][C@H](Cc1ccsc1)c1nccs1 ZINC000012219350 211321912 /nfs/dbraw/zinc/32/19/12/211321912.db2.gz ZAPCKDIDFHXCIM-HAZIXKIPSA-N 1 0 340.517 5.182 40 0 EKABRO Cc1ccccc1/C=C/C[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1 ZINC000013532660 564118106 /nfs/dbraw/zinc/11/81/06/564118106.db2.gz FJFLDQXXCJUUBR-XECBNOGISA-N 1 0 335.491 5.014 40 0 in-vivo EKABRO CCCCC[C@H]1C(=O)C[C@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 ZINC000013574140 564125471 /nfs/dbraw/zinc/12/54/71/564125471.db2.gz MZWDNWGOALGHNY-QZNHQXDQSA-N 1 0 335.491 5.570 40 0 EKABRO CC(C)C1(O)[C@H](C)[C@H](c2ccccc2)[N@@H+](C)[C@@H](c2ccccc2)[C@@H]1C ZINC000013756367 563720994 /nfs/dbraw/zinc/72/09/94/563720994.db2.gz QTCCWCRPTWVSSV-ZFKQBZJWSA-N 1 0 337.507 5.074 40 0 EKABRO CC(C)Oc1ccc(C[N@H+](Cc2ccccc2)Cc2ccncc2)cc1 ZINC000013989226 564020753 /nfs/dbraw/zinc/02/07/53/564020753.db2.gz LBUHFPLHHYESGA-UHFFFAOYSA-N 1 0 346.474 5.071 40 0 EKABRO Cc1oc2ccccc2c1C[N@H+](Cc1ccccc1)Cc1ccncc1 ZINC000013989241 564020738 /nfs/dbraw/zinc/02/07/38/564020738.db2.gz BCWNBROWRKUCSM-UHFFFAOYSA-N 1 0 342.442 5.339 40 0 EKABRO c1cc2c(cccc2C[NH2+]CCC(c2ccccc2)c2ccccc2)[nH]1 ZINC000015423519 564024226 /nfs/dbraw/zinc/02/42/26/564024226.db2.gz MIXVZHAUNCSXIF-UHFFFAOYSA-N 1 0 340.470 5.480 40 0 EKABRO Fc1ccc(SC2C[NH+](C(c3ccccc3)c3ccccc3)C2)cc1 ZINC000015442748 564084084 /nfs/dbraw/zinc/08/40/84/564084084.db2.gz NPXJQYRIVRSRTP-UHFFFAOYSA-N 1 0 349.474 5.392 40 0 EKABRO c1ccc(CC[n+]2ccc(-c3ccccc3)cc2-c2ccccc2)cc1 ZINC000015769790 564073672 /nfs/dbraw/zinc/07/36/72/564073672.db2.gz NHWFFMAWRCCOLV-UHFFFAOYSA-N 1 0 336.458 5.551 40 0 EKABRO C[NH+](C)/C=C/C(=S)N(c1ccccc1)c1ccc2ccccc2c1 ZINC000016163023 563805186 /nfs/dbraw/zinc/80/51/86/563805186.db2.gz SOOAWLZAIIVXET-CCEZHUSRSA-N 1 0 332.472 5.381 40 0 EKABRO C[NH+](C)/C=C/C(=S)N(c1ccccc1)c1cccc2ccccc21 ZINC000016163025 563805108 /nfs/dbraw/zinc/80/51/08/563805108.db2.gz UDPSMDYMFOCVPY-FOCLMDBBSA-N 1 0 332.472 5.381 40 0 EKABRO Cc1cc(-c2ccc(N(C)C)cc2)cc(-c2ccc(N(C)C)cc2)[o+]1 ZINC000016382792 257857670 /nfs/dbraw/zinc/85/76/70/257857670.db2.gz CZBMOMFQXSNOCN-UHFFFAOYSA-N 1 0 333.455 5.335 40 0 EKABRO CSc1ccc(-c2cc(C)[o+]c(-c3ccc(SC)cc3)c2)cc1 ZINC000016382794 564024534 /nfs/dbraw/zinc/02/45/34/564024534.db2.gz UTLBZERAZVTUQI-UHFFFAOYSA-N 1 0 339.505 6.647 40 0 EKABRO Clc1ccccc1C[NH2+]Cc1ccc(OCc2cccs2)cc1 ZINC000016449746 564024634 /nfs/dbraw/zinc/02/46/34/564024634.db2.gz DQFONKBWFSBKQP-UHFFFAOYSA-N 1 0 343.879 5.270 40 0 EKABRO CCCC1(O)[C@@H](C)[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)[C@@H]1C ZINC000016512172 211911017 /nfs/dbraw/zinc/91/10/17/211911017.db2.gz QYKFGQQFZQYMFW-CZQWAENCSA-N 1 0 337.507 5.218 40 0 EKABRO C[C@]12CC(C)(C)CC(=O)[C@@H]1[C@H](c1ccccc1)[NH2+][C@H]2c1ccccc1 ZINC000016577684 564127906 /nfs/dbraw/zinc/12/79/06/564127906.db2.gz CIMULNHZAFWYPH-FBPBVXOASA-N 1 0 333.475 5.084 40 0 EKABRO COc1ccc(C)cc1[C@@H](CC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC000016696728 211930716 /nfs/dbraw/zinc/93/07/16/211930716.db2.gz CCXFTVHDCYNKJH-NRFANRHFSA-N 1 0 339.523 5.644 40 0 in-vitro EKABRO COc1ccc(C)cc1[C@H](CC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC000016696730 563820935 /nfs/dbraw/zinc/82/09/35/563820935.db2.gz CCXFTVHDCYNKJH-OAQYLSRUSA-N 1 0 339.523 5.644 40 0 in-vitro EKABRO CCCC[NH+](CCCC)C[C@H](O)c1ccc(C2CCCCC2)cc1 ZINC000016892555 211938335 /nfs/dbraw/zinc/93/83/35/211938335.db2.gz MTRLKRMXNPZMKH-QFIPXVFZSA-N 1 0 331.544 5.670 40 0 EKABRO [NH3+]CCOc1ccc(/C(=C(\Cl)c2ccccc2)c2ccccc2)cc1 ZINC000016957877 211943681 /nfs/dbraw/zinc/94/36/81/211943681.db2.gz OVBAZEUSCRGDKY-DQRAZIAOSA-N 1 0 349.861 5.180 40 0 EKABRO [NH2+]=C(/C(=C/c1cccc2ccccc12)c1ccccc1)c1ccccc1 ZINC000017105825 563836314 /nfs/dbraw/zinc/83/63/14/563836314.db2.gz NJFBYHPPFCLQAE-DGZVMTFBSA-N 1 0 333.434 6.448 40 0 EKABRO Cc1ccc(/C(=C\C[NH+]2CC3CCC(CC3)C2)c2ccccc2)cc1 ZINC000017378375 563843685 /nfs/dbraw/zinc/84/36/85/563843685.db2.gz AJIOVTVUJXMFQG-IWIPYMOSSA-N 1 0 331.503 5.549 40 0 EKABRO COc1ccc(/C(=C\C[N@@H+]2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 ZINC000017378399 563843652 /nfs/dbraw/zinc/84/36/52/563843652.db2.gz UNGBWSHKZGGGND-UWLAKRBBSA-N 1 0 347.502 5.249 40 0 EKABRO [NH2+]=C(c1cccs1)c1ccccc1Cc1cccc2ccccc21 ZINC000017379649 563844066 /nfs/dbraw/zinc/84/40/66/563844066.db2.gz ZHGDWLRQQFAGTK-UHFFFAOYSA-N 1 0 327.452 5.908 40 0 EKABRO [NH2+]=C(c1cccs1)c1ccccc1Cc1ccc2ccccc2c1 ZINC000017379651 563844083 /nfs/dbraw/zinc/84/40/83/563844083.db2.gz GXUNYHXIDSPYML-UHFFFAOYSA-N 1 0 327.452 5.908 40 0 EKABRO Cc1cccc(C(=[NH2+])c2ccccc2Cc2cccc3ccccc32)c1C ZINC000017379657 563844064 /nfs/dbraw/zinc/84/40/64/563844064.db2.gz LMLIPXXEYRYLAF-UHFFFAOYSA-N 1 0 349.477 6.464 40 0 EKABRO C[C@@H](C[N@H+](C)Cc1c2cccnc2[nH]c1-c1ccco1)c1ccccc1 ZINC000019455981 212030136 /nfs/dbraw/zinc/03/01/36/212030136.db2.gz RWYDAPCJGZLPNS-INIZCTEOSA-N 1 0 345.446 5.058 40 0 EKABRO C[C@H](C[N@H+](C)Cc1c2cccnc2[nH]c1-c1ccco1)c1ccccc1 ZINC000019455983 212029572 /nfs/dbraw/zinc/02/95/72/212029572.db2.gz RWYDAPCJGZLPNS-MRXNPFEDSA-N 1 0 345.446 5.058 40 0 EKABRO CC(C)(C)[NH2+]Cc1ccc(-c2ccc(Cl)cc2Br)o1 ZINC000020158475 212107529 /nfs/dbraw/zinc/10/75/29/212107529.db2.gz OCKYXZMMTWVNCE-UHFFFAOYSA-N 1 0 342.664 5.251 40 0 EKABRO CCCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2Br)o1 ZINC000020158490 212107793 /nfs/dbraw/zinc/10/77/93/212107793.db2.gz WRDFDBNONJZPCU-UHFFFAOYSA-N 1 0 342.664 5.252 40 0 EKABRO Clc1cccc(-c2ccc(C[NH2+]Cc3ccccc3)o2)c1Cl ZINC000020158514 212107729 /nfs/dbraw/zinc/10/77/29/212107729.db2.gz XXFZZAGYGDYTJR-UHFFFAOYSA-N 1 0 332.230 5.543 40 0 EKABRO Clc1ccc(-c2ccc(C[NH2+]Cc3ccccc3)o2)cc1Cl ZINC000020158538 212107826 /nfs/dbraw/zinc/10/78/26/212107826.db2.gz DTYHYCCYHKNQFV-UHFFFAOYSA-N 1 0 332.230 5.543 40 0 EKABRO CC(C)(C)[NH2+]Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 ZINC000020158606 212107724 /nfs/dbraw/zinc/10/77/24/212107724.db2.gz NYBSDXURILKDGQ-UHFFFAOYSA-N 1 0 331.765 5.507 40 0 EKABRO CCCC[NH2+]Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 ZINC000020158620 212107310 /nfs/dbraw/zinc/10/73/10/212107310.db2.gz ZAGPJLBGQACRPL-UHFFFAOYSA-N 1 0 331.765 5.509 40 0 EKABRO CC1(C)[NH2+]C[C@@]2(CC[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]32C)O1 ZINC000020568422 564128217 /nfs/dbraw/zinc/12/82/17/564128217.db2.gz XNXXTZVYIJSAOG-PSPPXZTJSA-N 1 0 345.571 5.514 40 0 EKABRO COc1c(CCC[NH+](C(C)C)C(C)C)cc(C)cc1-c1ccccc1 ZINC000021297664 212219991 /nfs/dbraw/zinc/21/99/91/212219991.db2.gz MXAYZECCMUWCMN-UHFFFAOYSA-N 1 0 339.523 5.722 40 0 EKABRO CCCCOc1ccc([C@@H]2[NH2+]CC3(CCCC3)c3ccccc32)cc1 ZINC000022113361 212277988 /nfs/dbraw/zinc/27/79/88/212277988.db2.gz AAEJJAOCCIJMAV-QFIPXVFZSA-N 1 0 335.491 5.370 40 0 EKABRO CCCCOc1ccc([C@H]2[NH2+]CC3(CCCC3)c3ccccc32)cc1 ZINC000022113364 212278066 /nfs/dbraw/zinc/27/80/66/212278066.db2.gz AAEJJAOCCIJMAV-JOCHJYFZSA-N 1 0 335.491 5.370 40 0 EKABRO CCCCCN(CCCCC)CC[NH+](CCCCC)CCCCC ZINC000022859102 202094017 /nfs/dbraw/zinc/09/40/17/202094017.db2.gz MPAOWNJUCRLLEQ-UHFFFAOYSA-N 1 0 340.640 6.351 40 0 EKABRO Clc1ccc(CC[NH2+]Cc2ccc3ccccc3c2)c(Cl)c1 ZINC000027526961 564041632 /nfs/dbraw/zinc/04/16/32/564041632.db2.gz YYYHAXUZWFWIQF-UHFFFAOYSA-N 1 0 330.258 5.479 40 0 EKABRO c1ccc(C[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)cc1 ZINC000031599526 563912760 /nfs/dbraw/zinc/91/27/60/563912760.db2.gz DCIVLOBESAYQKT-UHFFFAOYSA-N 1 0 327.471 5.269 40 0 EKABRO CCCCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000031613802 202207713 /nfs/dbraw/zinc/20/77/13/202207713.db2.gz YTQHJNOYQLTNLW-HXUWFJFHSA-N 1 0 331.887 5.066 40 0 EKABRO CCCCC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc(Cl)cc1 ZINC000031613805 563912742 /nfs/dbraw/zinc/91/27/42/563912742.db2.gz YTQHJNOYQLTNLW-FQEVSTJZSA-N 1 0 331.887 5.066 40 0 EKABRO C[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000031792481 563913008 /nfs/dbraw/zinc/91/30/08/563913008.db2.gz OVRKXSYIXORYFJ-INIZCTEOSA-N 1 0 339.866 5.663 40 0 EKABRO C[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000031792486 563912986 /nfs/dbraw/zinc/91/29/86/563912986.db2.gz OVRKXSYIXORYFJ-MRXNPFEDSA-N 1 0 339.866 5.663 40 0 EKABRO Clc1ccc(C2=CC[NH+]3CC=C(c4ccc(Cl)cc4)C23)cc1 ZINC000031870608 563913127 /nfs/dbraw/zinc/91/31/27/563913127.db2.gz NYBNLRABXXYFQW-UHFFFAOYSA-N 1 0 328.242 5.158 40 0 EKABRO CCCC[NH2+][C@@H](C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000031911553 563913207 /nfs/dbraw/zinc/91/32/07/563913207.db2.gz RTLVKWIQBKLSKT-QGZVFWFLSA-N 1 0 336.262 5.307 40 0 EKABRO CCCC[NH2+][C@H](C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000031911556 563913215 /nfs/dbraw/zinc/91/32/15/563913215.db2.gz RTLVKWIQBKLSKT-KRWDZBQOSA-N 1 0 336.262 5.307 40 0 EKABRO O[C@@H](C[N@H+](Cc1ccccc1)C1CCCCC1)c1ccc(Cl)cc1 ZINC000031923782 563913252 /nfs/dbraw/zinc/91/32/52/563913252.db2.gz ORLHMXYPJWTLGW-NRFANRHFSA-N 1 0 343.898 5.208 40 0 EKABRO O[C@H](C[N@H+](Cc1ccccc1)C1CCCCC1)c1ccc(Cl)cc1 ZINC000031923785 563913239 /nfs/dbraw/zinc/91/32/39/563913239.db2.gz ORLHMXYPJWTLGW-OAQYLSRUSA-N 1 0 343.898 5.208 40 0 EKABRO CCCCC1(O)[C@H](C)[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1C ZINC000033935987 202271000 /nfs/dbraw/zinc/27/10/00/202271000.db2.gz CILLEQOHMDEEAL-ZJJAWJATSA-N 1 0 337.507 5.266 40 0 EKABRO CCCC1(O)[C@H](C)[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)[C@@H]1C ZINC000036372529 213092183 /nfs/dbraw/zinc/09/21/83/213092183.db2.gz QYKFGQQFZQYMFW-USSLWURLSA-N 1 0 337.507 5.218 40 0 EKABRO CCCC1(O)[C@H](C)[C@@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)[C@@H]1C ZINC000036372530 213092074 /nfs/dbraw/zinc/09/20/74/213092074.db2.gz QYKFGQQFZQYMFW-ZJJAWJATSA-N 1 0 337.507 5.218 40 0 EKABRO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)c(Cl)cc1OC(C)C ZINC000036612534 213101791 /nfs/dbraw/zinc/10/17/91/213101791.db2.gz DVYKLDLJQYWWSA-UHFFFAOYSA-N 1 0 341.923 5.440 40 0 EKABRO CC1(C)[NH2+]C[C@@]2(CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)O1 ZINC000039409538 564024599 /nfs/dbraw/zinc/02/45/99/564024599.db2.gz XNXXTZVYIJSAOG-AFBZNQPGSA-N 1 0 345.571 5.514 40 0 EKABRO CC1(C)[NH2+]C[C@@]2(CC[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)O1 ZINC000039409540 564024660 /nfs/dbraw/zinc/02/46/60/564024660.db2.gz XNXXTZVYIJSAOG-XCBXZHJDSA-N 1 0 345.571 5.514 40 0 EKABRO Clc1ccc(C[N@@H+]2CC[C@H](c3nc4cc(Cl)ccc4o3)C2)cc1 ZINC000049168817 564032545 /nfs/dbraw/zinc/03/25/45/564032545.db2.gz SLPFHDQXPQWUHQ-ZDUSSCGKSA-N 1 0 347.245 5.124 40 0 biogenic,in-vitro EKABRO C[C@H]1C(c2ccccc2)=C[C@@H](c2ccccc2)[N@@H+](C)[C@H]1c1ccccc1 ZINC000057294279 564133230 /nfs/dbraw/zinc/13/32/30/564133230.db2.gz UZUCCSMLMFNSDR-PNTFMKQHSA-N 1 0 339.482 6.134 40 0 EKABRO C[C@H]1C(c2ccccc2)=C[C@@H](c2ccccc2)[N@@H+](C)[C@@H]1c1ccccc1 ZINC000057294283 564133201 /nfs/dbraw/zinc/13/32/01/564133201.db2.gz UZUCCSMLMFNSDR-LQGLAIQGSA-N 1 0 339.482 6.134 40 0 EKABRO C[N@H+](Cc1c2cccnc2[nH]c1-c1ccc(F)cc1)C1CCCCC1 ZINC000057762051 564035285 /nfs/dbraw/zinc/03/52/85/564035285.db2.gz XPFBQGBGVHGREW-UHFFFAOYSA-N 1 0 337.442 5.134 40 0 EKABRO Cc1cnccc1C[NH2+][C@@H]1[C@H]2CCCC[C@@H]2[C@H]1c1ccc(Cl)cc1 ZINC000057774231 564035320 /nfs/dbraw/zinc/03/53/20/564035320.db2.gz SOQVDBIFFLBOBP-UWHLTILDSA-N 1 0 340.898 5.105 40 0 EKABRO Cc1cnccc1C[NH2+][C@@H]1[C@H]2CCCC[C@H]2[C@H]1c1ccc(Cl)cc1 ZINC000057774233 564035325 /nfs/dbraw/zinc/03/53/25/564035325.db2.gz SOQVDBIFFLBOBP-PLACYPQZSA-N 1 0 340.898 5.105 40 0 EKABRO Cc1cnccc1C[NH2+][C@@H]1[C@@H]2CCCC[C@@H]2[C@H]1c1ccc(Cl)cc1 ZINC000057774235 564035308 /nfs/dbraw/zinc/03/53/08/564035308.db2.gz SOQVDBIFFLBOBP-DOIPELPJSA-N 1 0 340.898 5.105 40 0 EKABRO Cc1cnccc1C[NH2+][C@@H]1[C@@H]2CCCC[C@H]2[C@H]1c1ccc(Cl)cc1 ZINC000057774238 214450523 /nfs/dbraw/zinc/45/05/23/214450523.db2.gz SOQVDBIFFLBOBP-XRXFAXGQSA-N 1 0 340.898 5.105 40 0 EKABRO c1ccc(C([NH2+]C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000060296385 563949878 /nfs/dbraw/zinc/94/98/78/563949878.db2.gz VGXHNTCQRKYIMY-UHFFFAOYSA-N 1 0 349.477 6.155 40 0 EKABRO c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(Oc3ccccc3)nc2)cc1 ZINC000072212128 563984465 /nfs/dbraw/zinc/98/44/65/563984465.db2.gz GGPYEHIWFNJTIR-OAQYLSRUSA-N 1 0 330.431 5.211 40 0 EKABRO c1ccc(C[N@@H+]2CCC[C@H]2c2ccc(Oc3ccccc3)nc2)cc1 ZINC000072212129 563984452 /nfs/dbraw/zinc/98/44/52/563984452.db2.gz GGPYEHIWFNJTIR-NRFANRHFSA-N 1 0 330.431 5.211 40 0 EKABRO c1ccc(C[N@@H+]2CCCC[C@@H]2c2ccc(Oc3ccccc3)nc2)cc1 ZINC000072212165 563984443 /nfs/dbraw/zinc/98/44/43/563984443.db2.gz SECVPPQOEMSNSL-JOCHJYFZSA-N 1 0 344.458 5.601 40 0 EKABRO c1ccc(C[N@@H+]2CCCC[C@H]2c2ccc(Oc3ccccc3)nc2)cc1 ZINC000072212166 563984469 /nfs/dbraw/zinc/98/44/69/563984469.db2.gz SECVPPQOEMSNSL-QFIPXVFZSA-N 1 0 344.458 5.601 40 0 EKABRO c1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2Oc2ccccc2)cc1 ZINC000072212188 563984458 /nfs/dbraw/zinc/98/44/58/563984458.db2.gz AOEPZOUJRNXPSR-OAQYLSRUSA-N 1 0 330.431 5.211 40 0 EKABRO c1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2Oc2ccccc2)cc1 ZINC000072212189 563984477 /nfs/dbraw/zinc/98/44/77/563984477.db2.gz AOEPZOUJRNXPSR-NRFANRHFSA-N 1 0 330.431 5.211 40 0 EKABRO c1ccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2Oc2ccccc2)cc1 ZINC000072212225 563984482 /nfs/dbraw/zinc/98/44/82/563984482.db2.gz DAPNVSWYTPGJIK-JOCHJYFZSA-N 1 0 344.458 5.601 40 0 EKABRO c1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2Oc2ccccc2)cc1 ZINC000072212226 563984455 /nfs/dbraw/zinc/98/44/55/563984455.db2.gz DAPNVSWYTPGJIK-QFIPXVFZSA-N 1 0 344.458 5.601 40 0 EKABRO CC(C)N(c1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1)C(C)C ZINC000072212945 563984504 /nfs/dbraw/zinc/98/45/04/563984504.db2.gz BGFSMTYDTASUBW-NRFANRHFSA-N 1 0 337.511 5.042 40 0 EKABRO CC(C)N(c1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1)C(C)C ZINC000072212946 563984532 /nfs/dbraw/zinc/98/45/32/563984532.db2.gz BGFSMTYDTASUBW-OAQYLSRUSA-N 1 0 337.511 5.042 40 0 EKABRO CC(C)N(c1ncccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(C)C ZINC000072213005 563984519 /nfs/dbraw/zinc/98/45/19/563984519.db2.gz QDZJTUOTZWVBAZ-NRFANRHFSA-N 1 0 337.511 5.042 40 0 EKABRO CC(C)N(c1ncccc1[C@H]1CCC[N@@H+]1Cc1ccccc1)C(C)C ZINC000072213006 257689326 /nfs/dbraw/zinc/68/93/26/257689326.db2.gz QDZJTUOTZWVBAZ-OAQYLSRUSA-N 1 0 337.511 5.042 40 0 EKABRO c1ccc(C[N@@H+]2CCCC[C@@H]2c2ccc(NC3CCCC3)nc2)cc1 ZINC000072213984 563984711 /nfs/dbraw/zinc/98/47/11/563984711.db2.gz FHMNVGKCNCXUNU-OAQYLSRUSA-N 1 0 335.495 5.163 40 0 EKABRO c1ccc(C[N@@H+]2CCCC[C@H]2c2ccc(NC3CCCC3)nc2)cc1 ZINC000072213985 563984659 /nfs/dbraw/zinc/98/46/59/563984659.db2.gz FHMNVGKCNCXUNU-NRFANRHFSA-N 1 0 335.495 5.163 40 0 EKABRO c1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2NC2CCCCC2)cc1 ZINC000072214007 563984720 /nfs/dbraw/zinc/98/47/20/563984720.db2.gz FWJYLTQBJPZGLH-OAQYLSRUSA-N 1 0 335.495 5.163 40 0 EKABRO c1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2NC2CCCCC2)cc1 ZINC000072214008 563984668 /nfs/dbraw/zinc/98/46/68/563984668.db2.gz FWJYLTQBJPZGLH-NRFANRHFSA-N 1 0 335.495 5.163 40 0 EKABRO c1ccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2NC2CCCCC2)cc1 ZINC000072214044 563984662 /nfs/dbraw/zinc/98/46/62/563984662.db2.gz CKAAWAFQTHHUJB-JOCHJYFZSA-N 1 0 349.522 5.553 40 0 EKABRO c1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2NC2CCCCC2)cc1 ZINC000072214045 563984723 /nfs/dbraw/zinc/98/47/23/563984723.db2.gz CKAAWAFQTHHUJB-QFIPXVFZSA-N 1 0 349.522 5.553 40 0 EKABRO c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(Nc3ccccc3)nc2)cc1 ZINC000072214067 257689710 /nfs/dbraw/zinc/68/97/10/257689710.db2.gz CCWSAPHHUAIIKH-OAQYLSRUSA-N 1 0 329.447 5.162 40 0 EKABRO c1ccc(C[N@@H+]2CCC[C@H]2c2ccc(Nc3ccccc3)nc2)cc1 ZINC000072214068 563984656 /nfs/dbraw/zinc/98/46/56/563984656.db2.gz CCWSAPHHUAIIKH-NRFANRHFSA-N 1 0 329.447 5.162 40 0 EKABRO c1ccc(C[N@@H+]2CCCC[C@@H]2c2ccc(Nc3ccccc3)nc2)cc1 ZINC000072214104 563984693 /nfs/dbraw/zinc/98/46/93/563984693.db2.gz LAFHCNVUVXCJQZ-JOCHJYFZSA-N 1 0 343.474 5.552 40 0 EKABRO c1ccc(C[N@@H+]2CCCC[C@H]2c2ccc(Nc3ccccc3)nc2)cc1 ZINC000072214105 563984686 /nfs/dbraw/zinc/98/46/86/563984686.db2.gz LAFHCNVUVXCJQZ-QFIPXVFZSA-N 1 0 343.474 5.552 40 0 EKABRO c1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2Nc2ccccc2)cc1 ZINC000072214127 563984689 /nfs/dbraw/zinc/98/46/89/563984689.db2.gz RSEXDVJIRPNPGM-OAQYLSRUSA-N 1 0 329.447 5.162 40 0 EKABRO c1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2Nc2ccccc2)cc1 ZINC000072214128 563984696 /nfs/dbraw/zinc/98/46/96/563984696.db2.gz RSEXDVJIRPNPGM-NRFANRHFSA-N 1 0 329.447 5.162 40 0 EKABRO c1ccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2Nc2ccccc2)cc1 ZINC000072214164 563984671 /nfs/dbraw/zinc/98/46/71/563984671.db2.gz BQVOMJFQSAPREV-JOCHJYFZSA-N 1 0 343.474 5.552 40 0 EKABRO c1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2Nc2ccccc2)cc1 ZINC000072214165 563984714 /nfs/dbraw/zinc/98/47/14/563984714.db2.gz BQVOMJFQSAPREV-QFIPXVFZSA-N 1 0 343.474 5.552 40 0 EKABRO CN(c1ccccc1)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072214187 563984682 /nfs/dbraw/zinc/98/46/82/563984682.db2.gz GPVHZCGOHQCLTH-QFIPXVFZSA-N 1 0 343.474 5.187 40 0 EKABRO CN(c1ccccc1)c1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072214188 563984676 /nfs/dbraw/zinc/98/46/76/563984676.db2.gz GPVHZCGOHQCLTH-JOCHJYFZSA-N 1 0 343.474 5.187 40 0 EKABRO CN(c1ccccc1)c1ncccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072214247 563984706 /nfs/dbraw/zinc/98/47/06/563984706.db2.gz OVMFKOFDIJBIFW-QFIPXVFZSA-N 1 0 343.474 5.187 40 0 EKABRO CN(c1ccccc1)c1ncccc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072214248 563984717 /nfs/dbraw/zinc/98/47/17/563984717.db2.gz OVMFKOFDIJBIFW-JOCHJYFZSA-N 1 0 343.474 5.187 40 0 EKABRO c1ccc(C[N@@H+]2CCCC[C@@H]2c2ccc(N3CCCCCC3)nc2)cc1 ZINC000072216668 563985536 /nfs/dbraw/zinc/98/55/36/563985536.db2.gz LKZNUBAMZFGJIV-JOCHJYFZSA-N 1 0 349.522 5.189 40 0 EKABRO c1ccc(C[N@@H+]2CCCC[C@H]2c2ccc(N3CCCCCC3)nc2)cc1 ZINC000072216669 563985526 /nfs/dbraw/zinc/98/55/26/563985526.db2.gz LKZNUBAMZFGJIV-QFIPXVFZSA-N 1 0 349.522 5.189 40 0 EKABRO c1ccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2N2CCCCCC2)cc1 ZINC000072216728 563985548 /nfs/dbraw/zinc/98/55/48/563985548.db2.gz JZFNYSGKGIPZGD-JOCHJYFZSA-N 1 0 349.522 5.189 40 0 EKABRO c1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2N2CCCCCC2)cc1 ZINC000072216729 563985595 /nfs/dbraw/zinc/98/55/95/563985595.db2.gz JZFNYSGKGIPZGD-QFIPXVFZSA-N 1 0 349.522 5.189 40 0 EKABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217263 563985324 /nfs/dbraw/zinc/98/53/24/563985324.db2.gz WEOBGMZFKYQUMT-LJQANCHMSA-N 1 0 332.557 5.689 40 0 EKABRO CC(C)C[N@@H+]1CCCC[C@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217264 563985357 /nfs/dbraw/zinc/98/53/57/563985357.db2.gz WEOBGMZFKYQUMT-IBGZPJMESA-N 1 0 332.557 5.689 40 0 EKABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217265 563985371 /nfs/dbraw/zinc/98/53/71/563985371.db2.gz XKRFOLOQRQIVSA-LJQANCHMSA-N 1 0 332.557 5.834 40 0 EKABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217266 563985346 /nfs/dbraw/zinc/98/53/46/563985346.db2.gz XKRFOLOQRQIVSA-IBGZPJMESA-N 1 0 332.557 5.834 40 0 EKABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1cccnc1SC1CCCCC1 ZINC000072217323 563985337 /nfs/dbraw/zinc/98/53/37/563985337.db2.gz IFUIFOHWOAOTQB-LJQANCHMSA-N 1 0 332.557 5.689 40 0 EKABRO CC(C)C[N@@H+]1CCCC[C@H]1c1cccnc1SC1CCCCC1 ZINC000072217324 563985364 /nfs/dbraw/zinc/98/53/64/563985364.db2.gz IFUIFOHWOAOTQB-IBGZPJMESA-N 1 0 332.557 5.689 40 0 EKABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1SC1CCCCC1 ZINC000072217325 563985351 /nfs/dbraw/zinc/98/53/51/563985351.db2.gz RSNWTWQOPIKJQA-LJQANCHMSA-N 1 0 332.557 5.834 40 0 EKABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1SC1CCCCC1 ZINC000072217326 563985343 /nfs/dbraw/zinc/98/53/43/563985343.db2.gz RSNWTWQOPIKJQA-IBGZPJMESA-N 1 0 332.557 5.834 40 0 EKABRO CC(C)(C)Sc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072217350 563985375 /nfs/dbraw/zinc/98/53/75/563985375.db2.gz LKIHMVDUKUHZFG-SFHVURJKSA-N 1 0 326.509 5.309 40 0 EKABRO CC(C)(C)Sc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072217351 563985333 /nfs/dbraw/zinc/98/53/33/563985333.db2.gz LKIHMVDUKUHZFG-GOSISDBHSA-N 1 0 326.509 5.309 40 0 EKABRO CC(C)(C)Sc1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072217387 563985321 /nfs/dbraw/zinc/98/53/21/563985321.db2.gz YQCULBXHEHRCII-IBGZPJMESA-N 1 0 340.536 5.699 40 0 EKABRO CC(C)(C)Sc1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072217388 257687176 /nfs/dbraw/zinc/68/71/76/257687176.db2.gz YQCULBXHEHRCII-LJQANCHMSA-N 1 0 340.536 5.699 40 0 EKABRO CC(C)(C)Sc1ncccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072217410 563985340 /nfs/dbraw/zinc/98/53/40/563985340.db2.gz UGINUHKGSSMCCW-SFHVURJKSA-N 1 0 326.509 5.309 40 0 EKABRO CC(C)(C)Sc1ncccc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072217411 563985354 /nfs/dbraw/zinc/98/53/54/563985354.db2.gz UGINUHKGSSMCCW-GOSISDBHSA-N 1 0 326.509 5.309 40 0 EKABRO CC(C)(C)Sc1ncccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072217447 563985330 /nfs/dbraw/zinc/98/53/30/563985330.db2.gz VZWZMMIZKJYAJU-IBGZPJMESA-N 1 0 340.536 5.699 40 0 EKABRO CC(C)(C)Sc1ncccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072217448 257687386 /nfs/dbraw/zinc/68/73/86/257687386.db2.gz VZWZMMIZKJYAJU-LJQANCHMSA-N 1 0 340.536 5.699 40 0 EKABRO CC(C)Sc1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072217507 563985383 /nfs/dbraw/zinc/98/53/83/563985383.db2.gz KGATWCCRHQKBMP-IBGZPJMESA-N 1 0 326.509 5.309 40 0 EKABRO CC(C)Sc1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072217508 563985403 /nfs/dbraw/zinc/98/54/03/563985403.db2.gz KGATWCCRHQKBMP-LJQANCHMSA-N 1 0 326.509 5.309 40 0 EKABRO CC(C)Sc1ncccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072217567 563985419 /nfs/dbraw/zinc/98/54/19/563985419.db2.gz KBZYNFXUHISPNY-IBGZPJMESA-N 1 0 326.509 5.309 40 0 EKABRO CC(C)Sc1ncccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072217568 563985434 /nfs/dbraw/zinc/98/54/34/563985434.db2.gz KBZYNFXUHISPNY-LJQANCHMSA-N 1 0 326.509 5.309 40 0 EKABRO c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(Sc3ccccc3)nc2)cc1 ZINC000072217590 563985390 /nfs/dbraw/zinc/98/53/90/563985390.db2.gz JPOOPJZQRJHWTM-OAQYLSRUSA-N 1 0 346.499 5.570 40 0 EKABRO c1ccc(C[N@@H+]2CCC[C@H]2c2ccc(Sc3ccccc3)nc2)cc1 ZINC000072217591 563985425 /nfs/dbraw/zinc/98/54/25/563985425.db2.gz JPOOPJZQRJHWTM-NRFANRHFSA-N 1 0 346.499 5.570 40 0 EKABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217623 563985406 /nfs/dbraw/zinc/98/54/06/563985406.db2.gz SJAHENGLRKONMZ-LJQANCHMSA-N 1 0 326.509 5.416 40 0 EKABRO CC(C)C[N@@H+]1CCCC[C@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217624 563985400 /nfs/dbraw/zinc/98/54/00/563985400.db2.gz SJAHENGLRKONMZ-IBGZPJMESA-N 1 0 326.509 5.416 40 0 EKABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217625 563985394 /nfs/dbraw/zinc/98/53/94/563985394.db2.gz AJLDZIJFZFRNDN-LJQANCHMSA-N 1 0 326.509 5.560 40 0 EKABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217626 563985387 /nfs/dbraw/zinc/98/53/87/563985387.db2.gz AJLDZIJFZFRNDN-IBGZPJMESA-N 1 0 326.509 5.560 40 0 EKABRO c1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2Sc2ccccc2)cc1 ZINC000072217650 257687331 /nfs/dbraw/zinc/68/73/31/257687331.db2.gz YTEMAQOZGCPNFH-OAQYLSRUSA-N 1 0 346.499 5.570 40 0 EKABRO c1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2Sc2ccccc2)cc1 ZINC000072217651 563985416 /nfs/dbraw/zinc/98/54/16/563985416.db2.gz YTEMAQOZGCPNFH-NRFANRHFSA-N 1 0 346.499 5.570 40 0 EKABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1cccnc1Sc1ccccc1 ZINC000072217683 563985422 /nfs/dbraw/zinc/98/54/22/563985422.db2.gz OVTLAVBQEBNHCK-LJQANCHMSA-N 1 0 326.509 5.416 40 0 EKABRO CC(C)C[N@@H+]1CCCC[C@H]1c1cccnc1Sc1ccccc1 ZINC000072217684 563985413 /nfs/dbraw/zinc/98/54/13/563985413.db2.gz OVTLAVBQEBNHCK-IBGZPJMESA-N 1 0 326.509 5.416 40 0 EKABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1Sc1ccccc1 ZINC000072217685 257687574 /nfs/dbraw/zinc/68/75/74/257687574.db2.gz KMYYOUIBNRKFPK-LJQANCHMSA-N 1 0 326.509 5.560 40 0 EKABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1Sc1ccccc1 ZINC000072217686 563985429 /nfs/dbraw/zinc/98/54/29/563985429.db2.gz KMYYOUIBNRKFPK-IBGZPJMESA-N 1 0 326.509 5.560 40 0 EKABRO Cc1cc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cnc1N1CCCCC1 ZINC000072219186 563985737 /nfs/dbraw/zinc/98/57/37/563985737.db2.gz OMXNWBBCIYZQFQ-QFIPXVFZSA-N 1 0 349.522 5.108 40 0 EKABRO Cc1cc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cnc1N1CCCCC1 ZINC000072219187 563985749 /nfs/dbraw/zinc/98/57/49/563985749.db2.gz OMXNWBBCIYZQFQ-JOCHJYFZSA-N 1 0 349.522 5.108 40 0 EKABRO Cc1cc(N2CCCCC2)ncc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072219246 563985785 /nfs/dbraw/zinc/98/57/85/563985785.db2.gz PLJHCCIQFVNHBP-QFIPXVFZSA-N 1 0 349.522 5.108 40 0 EKABRO Cc1cc(N2CCCCC2)ncc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072219247 563985776 /nfs/dbraw/zinc/98/57/76/563985776.db2.gz PLJHCCIQFVNHBP-JOCHJYFZSA-N 1 0 349.522 5.108 40 0 EKABRO Cc1nc(N2CCCCC2)ccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072219306 563985771 /nfs/dbraw/zinc/98/57/71/563985771.db2.gz FKKROVIEYZFUHI-QFIPXVFZSA-N 1 0 349.522 5.108 40 0 EKABRO Cc1nc(N2CCCCC2)ccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072219307 518192807 /nfs/dbraw/zinc/19/28/07/518192807.db2.gz FKKROVIEYZFUHI-JOCHJYFZSA-N 1 0 349.522 5.108 40 0 EKABRO C/C(=C\c1ccccc1)C[NH2+][C@@H](Cc1cccs1)c1nccs1 ZINC000072341749 563966415 /nfs/dbraw/zinc/96/64/15/563966415.db2.gz OVBDGXXSVFITHD-XOVFHRFOSA-N 1 0 340.517 5.182 40 0 EKABRO C/C(=C\c1ccccc1)C[NH2+][C@H](Cc1cccs1)c1nccs1 ZINC000072341750 563966407 /nfs/dbraw/zinc/96/64/07/563966407.db2.gz OVBDGXXSVFITHD-NKAIQICCSA-N 1 0 340.517 5.182 40 0 EKABRO CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)OCC[NH3+] ZINC000083434041 563973436 /nfs/dbraw/zinc/97/34/36/563973436.db2.gz DLHLOYYQQGSXCC-BJCBFJDFSA-N 1 0 347.543 5.634 40 0 EKABRO c1ccc(C[NH+](Cc2ccccc2)Cc2cccc3ccccc32)cc1 ZINC000090751628 563974983 /nfs/dbraw/zinc/97/49/83/563974983.db2.gz XMCBSXJAAHJEDV-UHFFFAOYSA-N 1 0 337.466 6.042 40 0 EKABRO FC1(F)CCCC[C@H]2[C@H]1[C@@H](c1ccccc1)C[N@@H+]2Cc1ccccc1 ZINC000095951705 563977847 /nfs/dbraw/zinc/97/78/47/563977847.db2.gz JIDPXAOOYVIWPN-QHAWAJNXSA-N 1 0 341.445 5.480 40 0 EKABRO Cc1ccccc1/C=C/C[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@H](C)C1 ZINC000096125844 564051247 /nfs/dbraw/zinc/05/12/47/564051247.db2.gz FJFLDQXXCJUUBR-AIUXHLRUSA-N 1 0 335.491 5.014 40 0 EKABRO Cc1ccccc1/C=C/C[N@@H+]1CC[C@](C)(c2cccc(O)c2)[C@H](C)C1 ZINC000096125845 564051242 /nfs/dbraw/zinc/05/12/42/564051242.db2.gz FJFLDQXXCJUUBR-QTNMPDCNSA-N 1 0 335.491 5.014 40 0 EKABRO CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OCC[NH3+] ZINC000096306274 563980709 /nfs/dbraw/zinc/98/07/09/563980709.db2.gz DLHLOYYQQGSXCC-CGRWFSSPSA-N 1 0 347.543 5.634 40 0 EKABRO Clc1ccc([C@@H]2CC[C@H](C[NH2+]C3CC3)c3ccccc32)cc1Cl ZINC000098181655 219087701 /nfs/dbraw/zinc/08/77/01/219087701.db2.gz FSOYBXLAANBDHM-PBHICJAKSA-N 1 0 346.301 5.755 40 0 EKABRO Cc1ccccc1C(=[NH2+])c1ccccc1Cc1cccc2ccccc21 ZINC000100132721 219092428 /nfs/dbraw/zinc/09/24/28/219092428.db2.gz VVFPPBFNNBVLMJ-UHFFFAOYSA-N 1 0 335.450 6.155 40 0 in-vitro EKABRO CCn1c(C=CNc2ccccc2)[o+]c2ccc(-c3ccccc3)cc21 ZINC000100288714 206221505 /nfs/dbraw/zinc/22/15/05/206221505.db2.gz BLMQPFNXVFXTEM-UHFFFAOYSA-O 1 0 341.434 5.490 40 0 EKABRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](O[C@H](c1ccccc1)c1ccc(Cl)cc1)C2 ZINC000100371760 563779160 /nfs/dbraw/zinc/77/91/60/563779160.db2.gz OCAXFDULERPAJM-PLACYPQZSA-N 1 0 341.882 5.071 40 0 EKABRO CC(C)C1(O)[C@H](C)[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)[C@H]1C ZINC000102672128 219221533 /nfs/dbraw/zinc/22/15/33/219221533.db2.gz QTCCWCRPTWVSSV-RTYZCEEYSA-N 1 0 337.507 5.074 40 0 EKABRO Cc1cccc(C)c1C(=[NH2+])c1ccccc1Cc1cccc2ccccc21 ZINC000104074759 563983482 /nfs/dbraw/zinc/98/34/82/563983482.db2.gz LWCMIZMIRGZIAA-UHFFFAOYSA-N 1 0 349.477 6.464 40 0 EKABRO CCCCC[C@@H](C[NH+](C)C)[C@H](O)/C=C\c1ccc(Cl)c(Cl)c1 ZINC000104194305 219360020 /nfs/dbraw/zinc/36/00/20/219360020.db2.gz WCYCZNSVADQWAW-UBOIJJRDSA-N 1 0 344.326 5.126 40 0 EKABRO CCCCC[C@H](C[NH+](C)C)[C@H](O)/C=C\c1ccc(Cl)c(Cl)c1 ZINC000104194312 219359679 /nfs/dbraw/zinc/35/96/79/219359679.db2.gz WCYCZNSVADQWAW-ZKQVRJAKSA-N 1 0 344.326 5.126 40 0 EKABRO CC1(C)[NH2+]C[C@@]2(CC[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)O1 ZINC000118916205 221203455 /nfs/dbraw/zinc/20/34/55/221203455.db2.gz XNXXTZVYIJSAOG-DVWPCDKSSA-N 1 0 345.571 5.514 40 0 EKABRO CC1(C)[NH2+]C[C@@]2(CC[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)O1 ZINC000118916206 221203378 /nfs/dbraw/zinc/20/33/78/221203378.db2.gz XNXXTZVYIJSAOG-XCMMUJMZSA-N 1 0 345.571 5.514 40 0 EKABRO CC(C)[NH2+]C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118918329 221203690 /nfs/dbraw/zinc/20/36/90/221203690.db2.gz HRROJQJBNRGRQT-ZEPKUMPTSA-N 1 0 347.587 5.148 40 0 EKABRO CC(C)[NH2+]C[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118918330 221203552 /nfs/dbraw/zinc/20/35/52/221203552.db2.gz HRROJQJBNRGRQT-OWNQEUAMSA-N 1 0 347.587 5.148 40 0 EKABRO CC(C)[NH2+]C[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118918331 221203134 /nfs/dbraw/zinc/20/31/34/221203134.db2.gz HRROJQJBNRGRQT-HPTKSSEUSA-N 1 0 347.587 5.148 40 0 EKABRO CC(C)[NH2+]C[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118918332 221204240 /nfs/dbraw/zinc/20/42/40/221204240.db2.gz HRROJQJBNRGRQT-KIYFCUGLSA-N 1 0 347.587 5.148 40 0 EKABRO C[C@@H]([NH3+])CSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000206707605 564013564 /nfs/dbraw/zinc/01/35/64/564013564.db2.gz NOLABCLWPZAWQN-GOSISDBHSA-N 1 0 333.500 5.059 40 0 EKABRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc3oc(-c4ccccc4F)nc3c2)C1 ZINC000216790263 241213125 /nfs/dbraw/zinc/21/31/25/241213125.db2.gz GHABUJYCKRGMHW-HUUCEWRRSA-N 1 0 338.426 5.112 40 0 EKABRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc3oc(-c4ccccc4F)nc3c2)C1 ZINC000216790307 241213025 /nfs/dbraw/zinc/21/30/25/241213025.db2.gz GHABUJYCKRGMHW-GASCZTMLSA-N 1 0 338.426 5.112 40 0 EKABRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc3oc(-c4ccccc4F)nc3c2)C1 ZINC000216790353 241213456 /nfs/dbraw/zinc/21/34/56/241213456.db2.gz GHABUJYCKRGMHW-GJZGRUSLSA-N 1 0 338.426 5.112 40 0 EKABRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc2oc(-c3ccccc3F)nc2c1 ZINC000216790484 241212045 /nfs/dbraw/zinc/21/20/45/241212045.db2.gz SPPOFYSUIKUVCG-HUUCEWRRSA-N 1 0 338.426 5.397 40 0 EKABRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc2oc(-c3ccccc3F)nc2c1 ZINC000216790531 241212241 /nfs/dbraw/zinc/21/22/41/241212241.db2.gz SPPOFYSUIKUVCG-GASCZTMLSA-N 1 0 338.426 5.397 40 0 EKABRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc2oc(-c3ccccc3F)nc2c1 ZINC000216790576 241212234 /nfs/dbraw/zinc/21/22/34/241212234.db2.gz SPPOFYSUIKUVCG-GJZGRUSLSA-N 1 0 338.426 5.397 40 0 EKABRO C[N@H+](Cc1ccc2oc(-c3ccccc3F)nc2c1)C1CCCCC1 ZINC000216790906 536473747 /nfs/dbraw/zinc/47/37/47/536473747.db2.gz ZGJKFPMBYYRXIE-UHFFFAOYSA-N 1 0 338.426 5.398 40 0 EKABRO Clc1ccccc1-c1nc2cc(C[NH2+]C3CCCC3)ccc2o1 ZINC000216798665 241213102 /nfs/dbraw/zinc/21/31/02/241213102.db2.gz RLWHDYUCWFMNRI-UHFFFAOYSA-N 1 0 326.827 5.180 40 0 EKABRO Clc1ccccc1-c1nc2cc(C[NH2+]C3CCCCC3)ccc2o1 ZINC000216798718 241213216 /nfs/dbraw/zinc/21/32/16/241213216.db2.gz OWBYIOQMUKTOBD-UHFFFAOYSA-N 1 0 340.854 5.571 40 0 EKABRO Clc1ccccc1-c1nc2cc(C[NH+]3CCCCC3)ccc2o1 ZINC000216798897 241212771 /nfs/dbraw/zinc/21/27/71/241212771.db2.gz WWFDRAWEGKXVPG-UHFFFAOYSA-N 1 0 326.827 5.134 40 0 EKABRO C[C@@H]1CCCC[N@@H+]1Cc1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000216798958 241213598 /nfs/dbraw/zinc/21/35/98/241213598.db2.gz KSTYYYQSMXSCIR-CQSZACIVSA-N 1 0 340.854 5.523 40 0 EKABRO C[C@H]1CCCC[N@@H+]1Cc1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000216799002 241212847 /nfs/dbraw/zinc/21/28/47/241212847.db2.gz KSTYYYQSMXSCIR-AWEZNQCLSA-N 1 0 340.854 5.523 40 0 EKABRO C[C@@H]1CCC[N@H+](Cc2ccc3oc(-c4ccccc4Cl)nc3c2)C1 ZINC000216799202 241213628 /nfs/dbraw/zinc/21/36/28/241213628.db2.gz CFWKIIWSIDITTH-CQSZACIVSA-N 1 0 340.854 5.380 40 0 EKABRO C[C@H]1CCC[N@H+](Cc2ccc3oc(-c4ccccc4Cl)nc3c2)C1 ZINC000216799238 241212990 /nfs/dbraw/zinc/21/29/90/241212990.db2.gz CFWKIIWSIDITTH-AWEZNQCLSA-N 1 0 340.854 5.380 40 0 EKABRO CC1CC[NH+](Cc2ccc3oc(-c4ccccc4Cl)nc3c2)CC1 ZINC000216799438 241213672 /nfs/dbraw/zinc/21/36/72/241213672.db2.gz FNJQRAGRWIFMBL-UHFFFAOYSA-N 1 0 340.854 5.380 40 0 EKABRO C[C@@H]1CCCC[N@@H+]1Cc1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000216841204 241213747 /nfs/dbraw/zinc/21/37/47/241213747.db2.gz UUTATZYETGBNCA-CQSZACIVSA-N 1 0 340.854 5.523 40 0 EKABRO C[C@H]1CCCC[N@@H+]1Cc1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000216841237 241213135 /nfs/dbraw/zinc/21/31/35/241213135.db2.gz UUTATZYETGBNCA-AWEZNQCLSA-N 1 0 340.854 5.523 40 0 EKABRO Clc1cccc(-c2nc3cc(C[NH+]4CCCCC4)ccc3o2)c1 ZINC000216841282 241213292 /nfs/dbraw/zinc/21/32/92/241213292.db2.gz IWXQFCHTFLDQFY-UHFFFAOYSA-N 1 0 326.827 5.134 40 0 EKABRO C[C@@H]1CCC[N@H+](Cc2ccc3oc(-c4cccc(Cl)c4)nc3c2)C1 ZINC000216841328 241216273 /nfs/dbraw/zinc/21/62/73/241216273.db2.gz IKENETOOBLKRDK-CQSZACIVSA-N 1 0 340.854 5.380 40 0 EKABRO C[C@H]1CCC[N@H+](Cc2ccc3oc(-c4cccc(Cl)c4)nc3c2)C1 ZINC000216841364 241214747 /nfs/dbraw/zinc/21/47/47/241214747.db2.gz IKENETOOBLKRDK-AWEZNQCLSA-N 1 0 340.854 5.380 40 0 EKABRO CC1CC[NH+](Cc2ccc3oc(-c4cccc(Cl)c4)nc3c2)CC1 ZINC000216841532 241215215 /nfs/dbraw/zinc/21/52/15/241215215.db2.gz QLAOXEQHZAPAJB-UHFFFAOYSA-N 1 0 340.854 5.380 40 0 EKABRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc3oc(-c4cccc(F)c4)nc3c2)C1 ZINC000216841664 241214701 /nfs/dbraw/zinc/21/47/01/241214701.db2.gz PEMOZEWHVRTQST-HUUCEWRRSA-N 1 0 338.426 5.112 40 0 EKABRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc3oc(-c4cccc(F)c4)nc3c2)C1 ZINC000216841698 241215275 /nfs/dbraw/zinc/21/52/75/241215275.db2.gz PEMOZEWHVRTQST-GASCZTMLSA-N 1 0 338.426 5.112 40 0 EKABRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc3oc(-c4cccc(F)c4)nc3c2)C1 ZINC000216841733 241215549 /nfs/dbraw/zinc/21/55/49/241215549.db2.gz PEMOZEWHVRTQST-GJZGRUSLSA-N 1 0 338.426 5.112 40 0 EKABRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000216841853 241214765 /nfs/dbraw/zinc/21/47/65/241214765.db2.gz OXQIOKVGJVBTHD-HUUCEWRRSA-N 1 0 338.426 5.397 40 0 EKABRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000216841889 241215578 /nfs/dbraw/zinc/21/55/78/241215578.db2.gz OXQIOKVGJVBTHD-GASCZTMLSA-N 1 0 338.426 5.397 40 0 EKABRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000216841928 241216091 /nfs/dbraw/zinc/21/60/91/241216091.db2.gz OXQIOKVGJVBTHD-GJZGRUSLSA-N 1 0 338.426 5.397 40 0 EKABRO CCCCCC[NH2+]Cc1[nH]c2ccccc2c(=O)c1Cc1ccccc1 ZINC000217438080 534996402 /nfs/dbraw/zinc/99/64/02/534996402.db2.gz HXXWAMVEJFRVSL-UHFFFAOYSA-N 1 0 348.490 5.201 40 0 EKABRO CCCC[NH2+][C@@H](CC)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000222636998 564037264 /nfs/dbraw/zinc/03/72/64/564037264.db2.gz BKAMJPMVGKCZKP-IBGZPJMESA-N 1 0 327.468 5.115 40 0 EKABRO CCCC[NH2+][C@H](CC)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000222637063 564037274 /nfs/dbraw/zinc/03/72/74/564037274.db2.gz BKAMJPMVGKCZKP-LJQANCHMSA-N 1 0 327.468 5.115 40 0 EKABRO CCCCn1c(C)c(C[NH2+]CCC)c2cc(O[C@@H](C)CC)ccc21 ZINC000223767912 564040819 /nfs/dbraw/zinc/04/08/19/564040819.db2.gz BSKYQDWFTOOJIN-INIZCTEOSA-N 1 0 330.516 5.427 40 0 EKABRO CCCCn1c(C)c(C[NH2+]CCC)c2cc(O[C@H](C)CC)ccc21 ZINC000223767968 564040801 /nfs/dbraw/zinc/04/08/01/564040801.db2.gz BSKYQDWFTOOJIN-MRXNPFEDSA-N 1 0 330.516 5.427 40 0 EKABRO CCC[NH2+]Cc1c2cc(O[C@@H](C)CC)ccc2n(CC(C)C)c1C ZINC000223768029 241690545 /nfs/dbraw/zinc/69/05/45/241690545.db2.gz ZNPQWKBXMFVXQX-INIZCTEOSA-N 1 0 330.516 5.283 40 0 EKABRO CCC[NH2+]Cc1c2cc(O[C@H](C)CC)ccc2n(CC(C)C)c1C ZINC000223768078 564040822 /nfs/dbraw/zinc/04/08/22/564040822.db2.gz ZNPQWKBXMFVXQX-MRXNPFEDSA-N 1 0 330.516 5.283 40 0 EKABRO CCCCn1c(C)c(C[NH2+]C(C)C)c2cc(O[C@@H](C)CC)ccc21 ZINC000223771217 564040808 /nfs/dbraw/zinc/04/08/08/564040808.db2.gz JYPUFBARQVVBDN-INIZCTEOSA-N 1 0 330.516 5.425 40 0 EKABRO CCCCn1c(C)c(C[NH2+]C(C)C)c2cc(O[C@H](C)CC)ccc21 ZINC000223771270 564040799 /nfs/dbraw/zinc/04/07/99/564040799.db2.gz JYPUFBARQVVBDN-MRXNPFEDSA-N 1 0 330.516 5.425 40 0 EKABRO CC[C@@H](C)Oc1ccc2c(c1)c(C[NH2+]C(C)C)c(C)n2CC(C)C ZINC000223771341 241689696 /nfs/dbraw/zinc/68/96/96/241689696.db2.gz HLMFBPNSDKSASY-MRXNPFEDSA-N 1 0 330.516 5.281 40 0 EKABRO CC[C@H](C)Oc1ccc2c(c1)c(C[NH2+]C(C)C)c(C)n2CC(C)C ZINC000223771389 564040805 /nfs/dbraw/zinc/04/08/05/564040805.db2.gz HLMFBPNSDKSASY-INIZCTEOSA-N 1 0 330.516 5.281 40 0 EKABRO CC(C)c1ccc2oc(-c3ccc[n+](Cc4ccccc4F)c3)nc2c1 ZINC000226307993 205125279 /nfs/dbraw/zinc/12/52/79/205125279.db2.gz UNXBCITVMGVNLY-UHFFFAOYSA-N 1 0 347.413 5.093 40 0 EKABRO CC(C)c1ccc2oc(-c3ccc[n+](Cc4cccc(F)c4)c3)nc2c1 ZINC000226308231 242095696 /nfs/dbraw/zinc/09/56/96/242095696.db2.gz RULAMNATKITKEV-UHFFFAOYSA-N 1 0 347.413 5.093 40 0 EKABRO CC(C)c1ccc2oc(-c3ccc[n+](Cc4ccc(F)cc4)c3)nc2c1 ZINC000226308308 242096589 /nfs/dbraw/zinc/09/65/89/242096589.db2.gz TZQFUPIWWVRCAA-UHFFFAOYSA-N 1 0 347.413 5.093 40 0 EKABRO C[C@]12CC(C)(C)CC(=O)[C@@H]1[C@H](c1ccccc1)[NH2+][C@@H]2c1ccccc1 ZINC000230315981 564118918 /nfs/dbraw/zinc/11/89/18/564118918.db2.gz CIMULNHZAFWYPH-SRUXOGRHSA-N 1 0 333.475 5.084 40 0 EKABRO C[C@]12CC[C@@]3(C)[C@@](C)(CC[C@@]4(C)C[C@@H](O)CC[C@]34C)[C@]1(C)CC[C@@H]2[NH3+] ZINC000242495956 564148080 /nfs/dbraw/zinc/14/80/80/564148080.db2.gz GUXFHNRYBUPJIM-KLNREHGZSA-N 1 0 347.587 5.278 40 0 EKABRO C[C@]12CC[C@@]3(C)[C@@](C)(CC[C@@]4(C)C[C@@H](O)CC[C@]34C)[C@]1(C)CC[C@H]2[NH3+] ZINC000242495957 564148089 /nfs/dbraw/zinc/14/80/89/564148089.db2.gz GUXFHNRYBUPJIM-XKGWPCTASA-N 1 0 347.587 5.278 40 0 EKABRO C[C@@]12CC(C)(C)CC(=O)[C@@H]1[C@H](c1ccccc1)[NH2+][C@H]2c1ccccc1 ZINC000248328942 564132070 /nfs/dbraw/zinc/13/20/70/564132070.db2.gz CIMULNHZAFWYPH-BESBDSHLSA-N 1 0 333.475 5.084 40 0 EKABRO CC1(C)[NH2+]C[C@@]2(CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]32C)O1 ZINC000253499545 564132197 /nfs/dbraw/zinc/13/21/97/564132197.db2.gz XNXXTZVYIJSAOG-ZCJFVORRSA-N 1 0 345.571 5.514 40 0 EKABRO C[C@]12C[C@@H](c3ccccc3)[N@H+](Cc3ccccc3)[C@H]1CCCCC2=O ZINC000254286874 244045054 /nfs/dbraw/zinc/04/50/54/244045054.db2.gz NIZOCBKNQRRYRA-FUDKSRODSA-N 1 0 333.475 5.152 40 0 EKABRO CC(C)C[C@H]([NH3+])COc1cccc(F)c1Oc1cccc(Cl)c1 ZINC000257201522 244121423 /nfs/dbraw/zinc/12/14/23/244121423.db2.gz AHYXEMIMFXMJLC-AWEZNQCLSA-N 1 0 337.822 5.024 40 0 EKABRO Fc1ccc(-c2ccc([C@H]3CCCC[N@@H+]3Cc3cccnc3)cn2)cc1 ZINC000257226106 244200793 /nfs/dbraw/zinc/20/07/93/244200793.db2.gz FJEJCLIUJWMKAH-JOCHJYFZSA-N 1 0 347.437 5.010 40 0 EKABRO Fc1ccc(-c2ccc([C@@H]3CCCC[N@@H+]3Cc3cccnc3)cn2)cc1 ZINC000257226107 244200741 /nfs/dbraw/zinc/20/07/41/244200741.db2.gz FJEJCLIUJWMKAH-QFIPXVFZSA-N 1 0 347.437 5.010 40 0 EKABRO CC(C)C[C@H]([NH3+])COc1ccc(F)cc1Oc1ccc(Cl)cc1 ZINC000257229449 244208452 /nfs/dbraw/zinc/20/84/52/244208452.db2.gz FYEHPNPHEAWFHN-HNNXBMFYSA-N 1 0 337.822 5.024 40 0 EKABRO Fc1cccc(-c2ccc([C@H]3CCCC[N@@H+]3Cc3ccncc3)cn2)c1 ZINC000257249467 244266994 /nfs/dbraw/zinc/26/69/94/244266994.db2.gz JIMVZTIPXPTCLI-JOCHJYFZSA-N 1 0 347.437 5.010 40 0 EKABRO Fc1cccc(-c2ccc([C@@H]3CCCC[N@@H+]3Cc3ccncc3)cn2)c1 ZINC000257249468 244266360 /nfs/dbraw/zinc/26/63/60/244266360.db2.gz JIMVZTIPXPTCLI-QFIPXVFZSA-N 1 0 347.437 5.010 40 0 EKABRO CC(C)C[C@H]([NH3+])COc1cccc(F)c1Oc1ccc(Cl)cc1 ZINC000257271248 244376405 /nfs/dbraw/zinc/37/64/05/244376405.db2.gz MXMMEDZMWZVJBS-AWEZNQCLSA-N 1 0 337.822 5.024 40 0 EKABRO Fc1ccc(-c2ccc([C@H]3CCCC[N@@H+]3Cc3ccccn3)cn2)cc1 ZINC000257284129 564132466 /nfs/dbraw/zinc/13/24/66/564132466.db2.gz PBIISQFTMDLEJS-JOCHJYFZSA-N 1 0 347.437 5.010 40 0 EKABRO Fc1ccc(-c2ccc([C@@H]3CCCC[N@@H+]3Cc3ccccn3)cn2)cc1 ZINC000257284130 564132460 /nfs/dbraw/zinc/13/24/60/564132460.db2.gz PBIISQFTMDLEJS-QFIPXVFZSA-N 1 0 347.437 5.010 40 0 EKABRO Fc1cccc(-c2ccc([C@H]3CCCC[N@@H+]3Cc3cccnc3)cn2)c1 ZINC000257293162 564132436 /nfs/dbraw/zinc/13/24/36/564132436.db2.gz QOKAAFXODXGXMO-JOCHJYFZSA-N 1 0 347.437 5.010 40 0 EKABRO Fc1cccc(-c2ccc([C@@H]3CCCC[N@@H+]3Cc3cccnc3)cn2)c1 ZINC000257293163 564132446 /nfs/dbraw/zinc/13/24/46/564132446.db2.gz QOKAAFXODXGXMO-QFIPXVFZSA-N 1 0 347.437 5.010 40 0 EKABRO Fc1cccc(-c2ccc([C@H]3CCCC[N@@H+]3Cc3ccccn3)cn2)c1 ZINC000257297322 564132452 /nfs/dbraw/zinc/13/24/52/564132452.db2.gz RGTGHUXDJZHSQL-JOCHJYFZSA-N 1 0 347.437 5.010 40 0 EKABRO Fc1cccc(-c2ccc([C@@H]3CCCC[N@@H+]3Cc3ccccn3)cn2)c1 ZINC000257297323 564132429 /nfs/dbraw/zinc/13/24/29/564132429.db2.gz RGTGHUXDJZHSQL-QFIPXVFZSA-N 1 0 347.437 5.010 40 0 EKABRO CC(C)(C)C[NH+]1CCC(c2ccc(Cc3ccc(F)cc3)cn2)CC1 ZINC000257302297 564013152 /nfs/dbraw/zinc/01/31/52/564013152.db2.gz SCJQDXCIPXJSTO-UHFFFAOYSA-N 1 0 340.486 5.037 40 0 EKABRO c1ccc(CC[N@@H+]2CCC[C@H]2c2ccc(Cc3ccccc3)cn2)cc1 ZINC000257308785 564132441 /nfs/dbraw/zinc/13/24/41/564132441.db2.gz TYCBNCLBPHSRGL-DEOSSOPVSA-N 1 0 342.486 5.052 40 0 EKABRO c1ccc(CC[N@@H+]2CCC[C@@H]2c2ccc(Cc3ccccc3)cn2)cc1 ZINC000257308786 244483098 /nfs/dbraw/zinc/48/30/98/244483098.db2.gz TYCBNCLBPHSRGL-XMMPIXPASA-N 1 0 342.486 5.052 40 0 EKABRO CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCCC(=O)OCC[NH3+] ZINC000271773513 564132667 /nfs/dbraw/zinc/13/26/67/564132667.db2.gz DLHLOYYQQGSXCC-BHVWNTRMSA-N 1 0 347.543 5.634 40 0 EKABRO CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCC(=O)OCC[NH3+] ZINC000271773538 564132672 /nfs/dbraw/zinc/13/26/72/564132672.db2.gz DLHLOYYQQGSXCC-LIJGZOPESA-N 1 0 347.543 5.634 40 0 EKABRO Cc1ccccc1/C=C/C[N@@H+]1CC[C@](C)(c2cccc(O)c2)[C@@H](C)C1 ZINC000352063287 564133631 /nfs/dbraw/zinc/13/36/31/564133631.db2.gz FJFLDQXXCJUUBR-JLHGHFKBSA-N 1 0 335.491 5.014 40 0 EKABRO O=C(C[NH+](C1CCCCC1)C1CCCCC1)Nc1cccc(Cl)c1 ZINC000408581155 563864906 /nfs/dbraw/zinc/86/49/06/563864906.db2.gz GVRNEBGBSVBQQO-UHFFFAOYSA-N 1 0 348.918 5.246 40 0 EKABRO Clc1ccc(C[NH+](C2CCCCC2)C2CCCCC2)c(Cl)c1 ZINC000408581176 563864949 /nfs/dbraw/zinc/86/49/49/563864949.db2.gz HDEXFVYRGPRZNH-UHFFFAOYSA-N 1 0 340.338 6.461 40 0 EKABRO Cc1ccc(C)c(NC(=O)C[NH+](C2CCCCC2)C2CCCCC2)c1 ZINC000408581497 563864965 /nfs/dbraw/zinc/86/49/65/563864965.db2.gz IOZJNAPRNDQSQL-UHFFFAOYSA-N 1 0 342.527 5.209 40 0 EKABRO Cc1ccc(NC(=O)C[NH+](C2CCCCC2)C2CCCCC2)cc1C ZINC000408582156 257895597 /nfs/dbraw/zinc/89/55/97/257895597.db2.gz MDKIJWHKMGCGKS-UHFFFAOYSA-N 1 0 342.527 5.209 40 0 EKABRO O=C(C[NH+](C1CCCCC1)C1CCCCC1)Nc1ccccc1Cl ZINC000408582343 563864903 /nfs/dbraw/zinc/86/49/03/563864903.db2.gz NBONUYIWIHSNGY-UHFFFAOYSA-N 1 0 348.918 5.246 40 0 EKABRO O=C(C[NH+](C1CCCCC1)C1CCCCC1)Nc1ccc(Cl)cc1 ZINC000408583914 563864912 /nfs/dbraw/zinc/86/49/12/563864912.db2.gz YRFHHLXHSZEMPD-UHFFFAOYSA-N 1 0 348.918 5.246 40 0 EKABRO CCC[NH+](CCC)[C@H](C(=O)Nc1ccccc1)c1ccc(Cl)cc1 ZINC000408734100 563870470 /nfs/dbraw/zinc/87/04/70/563870470.db2.gz JJSUQQZWYJADRY-IBGZPJMESA-N 1 0 344.886 5.142 40 0 EKABRO CCC[NH+](CCC)[C@@H](C(=O)Nc1ccccc1)c1ccc(Cl)cc1 ZINC000408734103 563870346 /nfs/dbraw/zinc/87/03/46/563870346.db2.gz JJSUQQZWYJADRY-LJQANCHMSA-N 1 0 344.886 5.142 40 0 EKABRO CCC[NH+](CCC)[C@H](C(=O)Nc1ccc(Cl)cc1)c1ccccc1 ZINC000408734500 257890188 /nfs/dbraw/zinc/89/01/88/257890188.db2.gz VJXDUQCTKNKVNH-IBGZPJMESA-N 1 0 344.886 5.142 40 0 EKABRO CCC[NH+](CCC)[C@@H](C(=O)Nc1ccc(Cl)cc1)c1ccccc1 ZINC000408734501 563870210 /nfs/dbraw/zinc/87/02/10/563870210.db2.gz VJXDUQCTKNKVNH-LJQANCHMSA-N 1 0 344.886 5.142 40 0 EKABRO CC(C)C[C@H]([NH3+])COc1ccc(F)cc1Oc1cccc(Cl)c1 ZINC000585263926 564052760 /nfs/dbraw/zinc/05/27/60/564052760.db2.gz HNHSHFWIBSKNOI-HNNXBMFYSA-N 1 0 337.822 5.024 40 0 EKABRO Fc1ccc(OCC[NH+]2CCCCC2)c(Oc2cccc(Cl)c2)c1 ZINC000585265008 563981076 /nfs/dbraw/zinc/98/10/76/563981076.db2.gz BNLJRDDKRGOGKF-UHFFFAOYSA-N 1 0 349.833 5.136 40 0 EKABRO Fc1cccc(OCC[NH+]2CCCCC2)c1Oc1cccc(Cl)c1 ZINC000585265086 564081050 /nfs/dbraw/zinc/08/10/50/564081050.db2.gz FXBBWLGDBWGTKK-UHFFFAOYSA-N 1 0 349.833 5.136 40 0 EKABRO Fc1ccc(Oc2ccc(Cl)cc2)c(OCC[NH+]2CCCCC2)c1 ZINC000585265390 564081059 /nfs/dbraw/zinc/08/10/59/564081059.db2.gz NIHJTSGOLQHJAN-UHFFFAOYSA-N 1 0 349.833 5.136 40 0 EKABRO Fc1cccc(OCC[NH+]2CCCCC2)c1Oc1ccc(Cl)cc1 ZINC000585265405 564081061 /nfs/dbraw/zinc/08/10/61/564081061.db2.gz NOYDKDLEFJVSIW-UHFFFAOYSA-N 1 0 349.833 5.136 40 0 EKABRO C[N@@H+]1CCC[C@H]1CCOc1cccc(F)c1Oc1cccc(Cl)c1 ZINC000585266165 564081087 /nfs/dbraw/zinc/08/10/87/564081087.db2.gz COZSUWJUSQACPO-HNNXBMFYSA-N 1 0 349.833 5.135 40 0 EKABRO C[N@@H+]1CCC[C@@H]1CCOc1cccc(F)c1Oc1cccc(Cl)c1 ZINC000585266166 564081077 /nfs/dbraw/zinc/08/10/77/564081077.db2.gz COZSUWJUSQACPO-OAHLLOKOSA-N 1 0 349.833 5.135 40 0 EKABRO CC(C)[NH+](CCOc1cccc(F)c1Oc1ccccc1)C(C)C ZINC000585266174 564081110 /nfs/dbraw/zinc/08/11/10/564081110.db2.gz FEYFSWQRLNKJKJ-UHFFFAOYSA-N 1 0 331.431 5.116 40 0 EKABRO C[N@@H+]1CCC[C@H]1CCOc1ccc(F)cc1Oc1cccc(Cl)c1 ZINC000585266189 564081095 /nfs/dbraw/zinc/08/10/95/564081095.db2.gz HAMYEVXXELTNND-INIZCTEOSA-N 1 0 349.833 5.135 40 0 EKABRO C[N@@H+]1CCC[C@@H]1CCOc1ccc(F)cc1Oc1cccc(Cl)c1 ZINC000585266191 564081091 /nfs/dbraw/zinc/08/10/91/564081091.db2.gz HAMYEVXXELTNND-MRXNPFEDSA-N 1 0 349.833 5.135 40 0 EKABRO Cc1ccc(Oc2ccc(F)cc2OCC[NH+](C(C)C)C(C)C)cc1 ZINC000585266198 564081098 /nfs/dbraw/zinc/08/10/98/564081098.db2.gz ITQRCEIVVBHRBR-UHFFFAOYSA-N 1 0 345.458 5.424 40 0 EKABRO Cc1ccc(Oc2ccc(F)cc2OCCC[NH+]2CCCCC2)cc1 ZINC000585266201 564081094 /nfs/dbraw/zinc/08/10/94/564081094.db2.gz JPXBNVARLYMAKJ-UHFFFAOYSA-N 1 0 343.442 5.181 40 0 EKABRO CC(C)[NH+](CCOc1cc(F)ccc1Oc1ccccc1)C(C)C ZINC000585266203 564081104 /nfs/dbraw/zinc/08/11/04/564081104.db2.gz JZBMSPQERMHAQJ-UHFFFAOYSA-N 1 0 331.431 5.116 40 0 EKABRO CC(C)[NH+](CCOc1ccccc1Oc1cccc(Cl)c1)C(C)C ZINC000585266217 564081085 /nfs/dbraw/zinc/08/10/85/564081085.db2.gz PNTLBLGNQLOFCP-UHFFFAOYSA-N 1 0 347.886 5.630 40 0 EKABRO CC(C)[NH+](CCOc1ccccc1Oc1ccc(Cl)cc1)C(C)C ZINC000585266228 564081099 /nfs/dbraw/zinc/08/10/99/564081099.db2.gz RAZVFDICMXEGEZ-UHFFFAOYSA-N 1 0 347.886 5.630 40 0 EKABRO Cc1ccc(Oc2ccccc2OCCC[NH+]2CCCCC2)cc1 ZINC000585266235 564081081 /nfs/dbraw/zinc/08/10/81/564081081.db2.gz RQXMHRCBEZSKRY-UHFFFAOYSA-N 1 0 325.452 5.042 40 0 EKABRO Cc1ccc(Oc2ccccc2OCC[NH+](C(C)C)C(C)C)cc1 ZINC000585266236 564081105 /nfs/dbraw/zinc/08/11/05/564081105.db2.gz SGIYWSDQQJFALQ-UHFFFAOYSA-N 1 0 327.468 5.285 40 0 EKABRO C[N@@H+]1CCC[C@H]1CCOc1cccc(F)c1Oc1ccc(Cl)cc1 ZINC000585266241 563981175 /nfs/dbraw/zinc/98/11/75/563981175.db2.gz VQPRPMQGQYJFTC-HNNXBMFYSA-N 1 0 349.833 5.135 40 0 EKABRO C[N@@H+]1CCC[C@@H]1CCOc1cccc(F)c1Oc1ccc(Cl)cc1 ZINC000585266242 563981177 /nfs/dbraw/zinc/98/11/77/563981177.db2.gz VQPRPMQGQYJFTC-OAHLLOKOSA-N 1 0 349.833 5.135 40 0 EKABRO Clc1cccc(Oc2ccccc2OCCC[NH+]2CCCCC2)c1 ZINC000585266250 563981171 /nfs/dbraw/zinc/98/11/71/563981171.db2.gz YZHORBOFZIOXSY-UHFFFAOYSA-N 1 0 345.870 5.387 40 0 EKABRO