smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNc1c[n+](Cc2ccccc2)ccc1C ZINC000209554790 1167515113 /nfs/dbraw/zinc/51/51/13/1167515113.db2.gz DRFUZCVSTFNBLK-UHFFFAOYSA-N 1 0 213.304 2.373 40 0 BEABRO C[C@@H]([NH2+][C@H]1CN2CCC1CC2)c1ccccc1 ZINC000019946503 1170691947 /nfs/dbraw/zinc/69/19/47/1170691947.db2.gz YUJLYFFNXJRLDW-DOMZBBRYSA-N 1 0 230.355 2.431 40 0 BEABRO CC(=O)c1ccc(N2CCCC2=[NH2+])cc1 ZINC000026507042 1170865019 /nfs/dbraw/zinc/86/50/19/1170865019.db2.gz METNTFGQGMEFCH-UHFFFAOYSA-N 1 0 202.257 2.467 40 0 BEABRO CC[NH+]1CCC(Cc2cccnc2)CC1 ZINC000072361098 343980101 /nfs/dbraw/zinc/98/01/01/343980101.db2.gz HDJVRBKQKQFZRQ-UHFFFAOYSA-N 1 0 204.317 2.356 40 0 BEABRO Cc1cc(CN2CCC[C@H]([NH3+])C2)ccc1F ZINC000038539688 177993786 /nfs/dbraw/zinc/99/37/86/177993786.db2.gz HDIWYVCWVYRCPF-LBPRGKRZSA-N 1 0 222.307 2.057 40 0 BEABRO Cc1cc(F)ccc1NC(=O)C1CC[NH2+]CC1 ZINC000019413569 178087724 /nfs/dbraw/zinc/08/77/24/178087724.db2.gz USQNFQHZCCZXAC-UHFFFAOYSA-N 1 0 236.290 2.072 40 0 BEABRO CC(C)(C)OC(=O)N1CCCC[C@](C)(C[NH3+])C1 ZINC000261507613 187330627 /nfs/dbraw/zinc/33/06/27/187330627.db2.gz KFWLROPMPGMJNO-CYBMUJFWSA-N 1 0 242.363 2.372 40 0 BEABRO Cc1cc(=O)cc([C@@H]2CC[N@@H+](C(C)C)C2)[nH]1 ZINC000072383189 178199820 /nfs/dbraw/zinc/19/98/20/178199820.db2.gz MZXVPKOHPVEWKP-LLVKDONJSA-N 1 0 220.316 2.293 40 0 BEABRO Cc1cccc2cc(C)c(NCC[NH3+])nc12 ZINC000013999100 178297477 /nfs/dbraw/zinc/29/74/77/178297477.db2.gz QBSCEPKQRUVOTM-UHFFFAOYSA-N 1 0 215.300 2.222 40 0 BEABRO Cc1cc(-c2ccc(C)cc2)[n+](C)n1C ZINC000001852034 178319501 /nfs/dbraw/zinc/31/95/01/178319501.db2.gz HTWGAGCGUATIFI-UHFFFAOYSA-N 1 0 201.293 2.133 40 0 BEABRO Cc1ccc(-c2cc(CC[NH3+])no2)c(C)c1 ZINC000072220696 178320273 /nfs/dbraw/zinc/32/02/73/178320273.db2.gz LFQMCCGKKZVJKF-UHFFFAOYSA-N 1 0 216.284 2.460 40 0 BEABRO Cc1ccc(-c2nnc([C@H]3CCC[NH2+]3)o2)cc1 ZINC000032015759 178341938 /nfs/dbraw/zinc/34/19/38/178341938.db2.gz GLCXWHDXVJLBSR-LLVKDONJSA-N 1 0 229.283 2.470 40 0 BEABRO Fc1ccc(Br)cc1CC1C[NH2+]C1 ZINC000077284892 398255483 /nfs/dbraw/zinc/25/54/83/398255483.db2.gz JSVKEZSBCXVRLK-UHFFFAOYSA-N 1 0 244.107 2.350 40 0 in-vitro BEABRO OC[C@@H](c1ccc(F)cc1F)[NH+]1CCCC1 ZINC000070452787 259313019 /nfs/dbraw/zinc/31/30/19/259313019.db2.gz WVMNFPHWMOQFTK-LBPRGKRZSA-N 1 0 227.254 2.094 40 0 BEABRO C[C@H](CC(=O)Nc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000072208207 259315214 /nfs/dbraw/zinc/31/52/14/259315214.db2.gz VFKXYTDTXIIOOX-DGCLKSJQSA-N 1 0 232.327 2.403 40 0 BEABRO C[C@@H](CC(=O)Nc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000072208206 259315222 /nfs/dbraw/zinc/31/52/22/259315222.db2.gz VFKXYTDTXIIOOX-WCQYABFASA-N 1 0 232.327 2.403 40 0 BEABRO C[NH2+][C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000072207622 259315141 /nfs/dbraw/zinc/31/51/41/259315141.db2.gz MHIYDVMZQYMYAT-UWVGGRQHSA-N 1 0 230.352 2.144 40 0 BEABRO C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000049633344 342673320 /nfs/dbraw/zinc/67/33/20/342673320.db2.gz UPTZXWDOZCFQJA-UHFFFAOYSA-N 1 0 234.126 2.418 40 0 BEABRO CC(C)(C)OC(=O)NC1CCC(C[NH3+])CC1 ZINC000000153953 342677399 /nfs/dbraw/zinc/67/73/99/342677399.db2.gz NVQFOBONHIXDOC-UHFFFAOYSA-N 1 0 228.336 2.029 40 0 BEABRO CNc1ncccc1[C@H]1CCCC[N@@H+]1C ZINC000072212551 259317154 /nfs/dbraw/zinc/31/71/54/259317154.db2.gz HMFOOENVYROYNF-LLVKDONJSA-N 1 0 205.305 2.280 40 0 BEABRO CCOc1cc2c(cc1OC)C[N@H+](C)CC2 ZINC000001665853 342707589 /nfs/dbraw/zinc/70/75/89/342707589.db2.gz GMOWSEYCUHCGNP-UHFFFAOYSA-N 1 0 221.300 2.082 40 0 BEABRO Cc1nc(N)ccc1[C@@H]1CCCC[N@H+]1C ZINC000072218574 259318276 /nfs/dbraw/zinc/31/82/76/259318276.db2.gz UEKDFUSKQWKHJN-NSHDSACASA-N 1 0 205.305 2.129 40 0 BEABRO C[N@@H+]1CCC[C@H]1c1ccc(NC2CC2)nc1 ZINC000072213764 259318336 /nfs/dbraw/zinc/31/83/36/259318336.db2.gz MGBUQNKEGUXJQF-LBPRGKRZSA-N 1 0 217.316 2.423 40 0 BEABRO [NH3+]CC1(c2cc(-c3ccccc3)on2)CC1 ZINC000072220679 259319230 /nfs/dbraw/zinc/31/92/30/259319230.db2.gz PBMFXBJAOIJYHH-UHFFFAOYSA-N 1 0 214.268 2.332 40 0 BEABRO CCN(Cc1ccncc1)C[C@@H]1CCCC[NH2+]1 ZINC000042516892 342778073 /nfs/dbraw/zinc/77/80/73/342778073.db2.gz RFGXYCRSVWLKLU-AWEZNQCLSA-N 1 0 233.359 2.046 40 0 BEABRO Nc1ccc2[nH]c(CN3CCCCC3)nc2c1 ZINC000005448564 342764254 /nfs/dbraw/zinc/76/42/54/342764254.db2.gz BOCXJGQDJLZNQU-UHFFFAOYSA-N 1 0 230.315 2.131 40 0 BEABRO CCN(CC)c1ncc([C@@H](C)[NH3+])cc1C ZINC000072222228 259320309 /nfs/dbraw/zinc/32/03/09/259320309.db2.gz HBZLUNJEIDPXSK-SNVBAGLBSA-N 1 0 207.321 2.256 40 0 BEABRO Cc1cc(C[NH3+])cnc1OCc1ccccc1 ZINC000072222379 259320189 /nfs/dbraw/zinc/32/01/89/259320189.db2.gz JZLSTLIWAFDKAN-UHFFFAOYSA-N 1 0 228.295 2.428 40 0 BEABRO CCN(CC)c1cc(C)c([C@@H](C)[NH3+])cn1 ZINC000072223266 259320930 /nfs/dbraw/zinc/32/09/30/259320930.db2.gz PGJHOBRSMYKLKB-SNVBAGLBSA-N 1 0 207.321 2.256 40 0 BEABRO CC[C@](C)(C(=O)OC)[N@@H+]1CCC[C@H](C)C1 ZINC000035655765 342804556 /nfs/dbraw/zinc/80/45/56/342804556.db2.gz MGVMHLJMIWYJRP-CMPLNLGQSA-N 1 0 213.321 2.060 40 0 BEABRO CCCCOC[C@@H](O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000008844772 342805258 /nfs/dbraw/zinc/80/52/58/342805258.db2.gz RUFPVBGMFJWXNM-IHRRRGAJSA-N 1 0 243.391 2.142 40 0 BEABRO Cc1[nH]c(=O)ccc1[C@@H]([NH3+])c1ccccc1 ZINC000072224810 259321853 /nfs/dbraw/zinc/32/18/53/259321853.db2.gz HWEYITIXZKVIAN-ZDUSSCGKSA-N 1 0 214.268 2.144 40 0 BEABRO CNc1ccc([C@@H]([NH3+])c2ccccc2)cn1 ZINC000072225115 259321870 /nfs/dbraw/zinc/32/18/70/259321870.db2.gz IZKKLRRJCJBCOU-ZDUSSCGKSA-N 1 0 213.284 2.171 40 0 BEABRO CC(C)(C)n1nccc1[C@@H]1CCCC[NH2+]1 ZINC000075869333 259322465 /nfs/dbraw/zinc/32/24/65/259322465.db2.gz UFZWEBFRVWRJDT-JTQLQIEISA-N 1 0 207.321 2.453 40 0 BEABRO COc1ccc([C@H](C)N[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000242495503 259326145 /nfs/dbraw/zinc/32/61/45/259326145.db2.gz GFXBIRRVJPEUAA-ZLKJLUDKSA-N 1 0 234.343 2.226 40 0 BEABRO Cc1ccnc(C)c1[C@H](C)O[C@H]1CC[NH2+]C1 ZINC000242495972 259325935 /nfs/dbraw/zinc/32/59/35/259325935.db2.gz GWAWNDBDTSHGCH-RYUDHWBXSA-N 1 0 220.316 2.138 40 0 BEABRO CCOc1ccccc1C[NH2+]CCCOC ZINC000013717973 342870980 /nfs/dbraw/zinc/87/09/80/342870980.db2.gz ZTEAGGSMLLANBU-UHFFFAOYSA-N 1 0 223.316 2.211 40 0 BEABRO CCOC(=O)C[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000070824305 259331500 /nfs/dbraw/zinc/33/15/00/259331500.db2.gz OGBNOQILFZFLAS-LBPRGKRZSA-N 1 0 227.348 2.450 40 0 BEABRO CCOc1ccc([C@H](C)[NH2+]CCOC)cc1 ZINC000019881554 342960672 /nfs/dbraw/zinc/96/06/72/342960672.db2.gz PIEIRCXDEORZFC-NSHDSACASA-N 1 0 223.316 2.382 40 0 BEABRO CC[NH+](CC)CCNCc1ccsc1 ZINC000019919240 342963195 /nfs/dbraw/zinc/96/31/95/342963195.db2.gz NMPSAROCBKLULI-UHFFFAOYSA-N 1 0 212.362 2.180 40 0 BEABRO C[C@@H](CN1CCCC1)[NH2+]Cc1ccccc1 ZINC000022073588 343039626 /nfs/dbraw/zinc/03/96/26/343039626.db2.gz STPNJXDWCNEGFA-ZDUSSCGKSA-N 1 0 218.344 2.261 40 0 BEABRO CCN(CC)[C@@H](C[NH3+])c1cc(F)ccc1F ZINC000037233441 349785741 /nfs/dbraw/zinc/78/57/41/349785741.db2.gz NYGAVQPQWVQGDN-LBPRGKRZSA-N 1 0 228.286 2.306 40 0 BEABRO COC(=O)[C@@H](C)C[NH2+][C@@H](C)c1ccccc1 ZINC000035133481 343285893 /nfs/dbraw/zinc/28/58/93/343285893.db2.gz KIJCPIKSICZNKI-QWRGUYRKSA-N 1 0 221.300 2.146 40 0 BEABRO Cc1n[nH]c(C)c1[C@@H]([NH3+])c1ccccc1 ZINC000036624826 343321475 /nfs/dbraw/zinc/32/14/75/343321475.db2.gz HPERHSNHKQWJBY-LBPRGKRZSA-N 1 0 201.273 2.153 40 0 BEABRO COC(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000035747503 343303641 /nfs/dbraw/zinc/30/36/41/343303641.db2.gz QRAFHBCFBWYWHQ-MNOVXSKESA-N 1 0 221.300 2.289 40 0 BEABRO [NH3+]CCc1ccc(O[C@H]2CCCCO2)cc1 ZINC000044371787 349805014 /nfs/dbraw/zinc/80/50/14/349805014.db2.gz IKOLRHUUOFOGAM-ZDUSSCGKSA-N 1 0 221.300 2.093 40 0 BEABRO C[C@@H](C[NH3+])c1ccc(OC(F)F)cc1 ZINC000037246289 343340915 /nfs/dbraw/zinc/34/09/15/343340915.db2.gz YGOUGGYHHXFORW-ZETCQYMHSA-N 1 0 201.216 2.350 40 0 BEABRO Brc1cccc2cccc[n+]12 ZINC000039268585 343387668 /nfs/dbraw/zinc/38/76/68/343387668.db2.gz ROAAXERGPCCTDL-UHFFFAOYSA-N 1 0 209.066 2.188 40 0 BEABRO CN(C)[C@@H]1[C@H]([NH+](C)C)[C@@H]2CC[C@@]1(C)C2(C)C ZINC000039738147 343392146 /nfs/dbraw/zinc/39/21/46/343392146.db2.gz WWHMPEUSLLXFGZ-FMCLSXCISA-N 1 0 224.392 2.303 40 0 BEABRO Cn1c2cc(Cl)ccc2nc1CCC[NH3+] ZINC000040417111 343402610 /nfs/dbraw/zinc/40/26/10/343402610.db2.gz KSWKIIHOMZOFDP-UHFFFAOYSA-N 1 0 223.707 2.118 40 0 BEABRO CC(C)N(C(=O)C[NH3+])[C@H](C)c1ccc(F)cc1 ZINC000079421200 187263163 /nfs/dbraw/zinc/26/31/63/187263163.db2.gz FDHNXNNCEKNWKS-SNVBAGLBSA-N 1 0 238.306 2.082 40 0 BEABRO Cc1c[nH]c(NC(=[NH2+])N2CCc3ccccc32)n1 ZINC000049474259 343599723 /nfs/dbraw/zinc/59/97/23/343599723.db2.gz GJTHNQQUICGSLF-UHFFFAOYSA-N 1 0 241.298 2.127 40 0 BEABRO CC(=O)c1c(N)sc2c1C[C@H]1CC[C@@H]2[N@@H+]1C ZINC000083744562 343662712 /nfs/dbraw/zinc/66/27/12/343662712.db2.gz JVVYEWFPMWXSTB-APPZFPTMSA-N 1 0 236.340 2.224 40 0 BEABRO CCOC(=O)CCCc1ccc(C[NH3+])cc1 ZINC000059813908 343713714 /nfs/dbraw/zinc/71/37/14/343713714.db2.gz YEZODOSKIMQNKD-UHFFFAOYSA-N 1 0 221.300 2.031 40 0 BEABRO CC(C)Cn1cc(-c2nc(C[NH3+])cs2)cn1 ZINC000095093932 187286742 /nfs/dbraw/zinc/28/67/42/187286742.db2.gz LSCWXRDBBZSVHP-UHFFFAOYSA-N 1 0 236.344 2.121 40 0 BEABRO CC(C)Cn1c(=O)ccc2c1CC(C)(C)C[C@H]2[NH3+] ZINC000096510623 187288658 /nfs/dbraw/zinc/28/86/58/187288658.db2.gz PHCBOESJPASADC-GFCCVEGCSA-N 1 0 248.370 2.477 40 0 BEABRO CC(C)Cn1c(=O)ccc2c1CC(C)(C)C[C@@H]2[NH3+] ZINC000096510622 187289078 /nfs/dbraw/zinc/28/90/78/187289078.db2.gz PHCBOESJPASADC-LBPRGKRZSA-N 1 0 248.370 2.477 40 0 BEABRO c1ccc(CO[C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000585262963 344378802 /nfs/dbraw/zinc/37/88/02/344378802.db2.gz RVILLINQTHCWRH-WDNDVIMCSA-N 1 0 217.312 2.201 40 0 BEABRO COc1ccc(OC)c([C@H]2C[C@@H]2[C@@H](C)[NH3+])c1 ZINC000020594415 344509978 /nfs/dbraw/zinc/50/99/78/344509978.db2.gz DPZMVJPIWKFHMT-IEBDPFPHSA-N 1 0 221.300 2.155 40 0 BEABRO COc1cc(OC)cc([C@H]2C[C@H]2[C@@H](C)[NH3+])c1 ZINC000020594413 344510041 /nfs/dbraw/zinc/51/00/41/344510041.db2.gz SCBRMCDRXPTYCI-OXHMUOHRSA-N 1 0 221.300 2.155 40 0 BEABRO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000082321212 178742739 /nfs/dbraw/zinc/74/27/39/178742739.db2.gz HRTXGVAWGLKWRN-GFCCVEGCSA-N 1 0 232.327 2.275 40 0 BEABRO Cc1ccc[n+](C[C@@H](O)c2ccccc2)c1 ZINC000001666255 178990657 /nfs/dbraw/zinc/99/06/57/178990657.db2.gz PMVWWEXJELUWNS-CQSZACIVSA-N 1 0 214.288 2.016 40 0 BEABRO Cc1cccc(C)c1NC[C@@H]1CCC[NH2+]1 ZINC000035822488 179043087 /nfs/dbraw/zinc/04/30/87/179043087.db2.gz UWCWUCKPEYNDNV-LBPRGKRZSA-N 1 0 204.317 2.467 40 0 BEABRO Cc1cccc(CCN2CCCC[C@@H]2C[NH3+])c1 ZINC000096523606 179056934 /nfs/dbraw/zinc/05/69/34/179056934.db2.gz PIGKZGZRKXKUST-OAHLLOKOSA-N 1 0 232.371 2.351 40 0 BEABRO Cc1cccc(C[N@@H+]2CCC[C@H](O)C2)c1C ZINC000038539508 179077565 /nfs/dbraw/zinc/07/75/65/179077565.db2.gz AKTVBDGSHBIDJU-AWEZNQCLSA-N 1 0 219.328 2.260 40 0 BEABRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1O)c1ccccc1 ZINC000006443365 346649624 /nfs/dbraw/zinc/64/96/24/346649624.db2.gz XRTOQDRFDAUSLY-RTXFEEFZSA-N 1 0 205.301 2.251 40 0 BEABRO CC(C)c1ccc(NC(=O)CC[NH3+])cc1 ZINC000008732993 346684629 /nfs/dbraw/zinc/68/46/29/346684629.db2.gz VZBANNPDCDVBQO-UHFFFAOYSA-N 1 0 206.289 2.097 40 0 BEABRO Cc1cccc([C@@H](C[NH3+])N2CCCCC2)c1 ZINC000038809138 179183998 /nfs/dbraw/zinc/18/39/98/179183998.db2.gz MUCTYFFCYRIBAA-CQSZACIVSA-N 1 0 218.344 2.481 40 0 BEABRO C[C@H]1CC[C@@H](CNC(=O)OCc2ccccc2)[NH2+]1 ZINC000110916005 347341418 /nfs/dbraw/zinc/34/14/18/347341418.db2.gz AMKZCSVSSDCKNX-AAEUAGOBSA-N 1 0 248.326 2.053 40 0 BEABRO Cc1ccccc1-c1nnc([C@@H]([NH3+])C(C)C)[nH]1 ZINC000095534765 179238529 /nfs/dbraw/zinc/23/85/29/179238529.db2.gz DJTCDCZTZNLVCQ-NSHDSACASA-N 1 0 230.315 2.436 40 0 BEABRO Cc1cccc2cc3c(nc12)O[C@@H](C)C[NH2+]C3 ZINC000019236733 179227876 /nfs/dbraw/zinc/22/78/76/179227876.db2.gz HVZSZGYPTREYOE-JTQLQIEISA-N 1 0 228.295 2.414 40 0 BEABRO Cc1ccccc1CCN1CCCC[C@H]1C[NH3+] ZINC000096523605 179264017 /nfs/dbraw/zinc/26/40/17/179264017.db2.gz KTCQBOGFTLESBB-HNNXBMFYSA-N 1 0 232.371 2.351 40 0 BEABRO Cc1ccccc1Cn1cccc1C[NH3+] ZINC000085581569 179294421 /nfs/dbraw/zinc/29/44/21/179294421.db2.gz UWWLJAZAPUJEJC-UHFFFAOYSA-N 1 0 200.285 2.304 40 0 BEABRO Cc1ccccc1N1CC[C@@]2(CCC[NH2+]C2)C1=O ZINC000044136569 179296507 /nfs/dbraw/zinc/29/65/07/179296507.db2.gz IEZYTOSMSFZUFY-OAHLLOKOSA-N 1 0 244.338 2.102 40 0 BEABRO CC(C)(C)NC(=O)[C@H]1C[C@H]2CCCC[C@H]2C[NH2+]1 ZINC000000105329 349981271 /nfs/dbraw/zinc/98/12/71/349981271.db2.gz UPZBXVBPICTBDP-GRYCIOLGSA-N 1 0 238.375 2.069 40 0 BEABRO S=CC1=C2NCCCN2[C@H]2CCCC[C@H]12 ZINC000005290185 348724382 /nfs/dbraw/zinc/72/43/82/348724382.db2.gz PKKFXCVBJFFZJO-KOLCDFICSA-N 1 0 222.357 2.065 40 0 BEABRO [NH3+][C@@H]1CCCN(Cc2cccc(Cl)c2F)C1 ZINC000038539579 348702718 /nfs/dbraw/zinc/70/27/18/348702718.db2.gz OEWOWBWVURBHDG-SNVBAGLBSA-N 1 0 242.725 2.402 40 0 BEABRO Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](O)C1 ZINC000038539894 348705157 /nfs/dbraw/zinc/70/51/57/348705157.db2.gz KGVBZRPUUVNUFK-ZDUSSCGKSA-N 1 0 223.291 2.091 40 0 BEABRO CC(=O)N[C@@H]1CCCC[C@H]1C1CCC([NH3+])CC1 ZINC000001579179 190972495 /nfs/dbraw/zinc/97/24/95/190972495.db2.gz OVPICLNSCJKJLW-CLRIEMFWSA-N 1 0 238.375 2.199 40 0 BEABRO C1=CC2=CC=C[C@@H](CC3=[NH+]CCN3)[C@@H]2C=C1 ZINC000021983093 190982519 /nfs/dbraw/zinc/98/25/19/190982519.db2.gz ZJSGEQUSOJAXBX-QWHCGFSZSA-N 1 0 212.296 2.233 40 0 BEABRO COC(=O)[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000022123395 350084334 /nfs/dbraw/zinc/08/43/34/350084334.db2.gz XDQPQKPDOHHYTL-LLVKDONJSA-N 1 0 213.321 2.060 40 0 BEABRO CC[C@](C)(C(=O)OC)[NH+]1CCC(C)CC1 ZINC000022123478 350084474 /nfs/dbraw/zinc/08/44/74/350084474.db2.gz VXUVXYLGQNSDNZ-GFCCVEGCSA-N 1 0 213.321 2.060 40 0 BEABRO Cc1nc([C@@H]2CCCC[N@@H+]2C)cc(N(C)C)n1 ZINC000072382317 180043343 /nfs/dbraw/zinc/04/33/43/180043343.db2.gz XGMMQXPZGQGAIZ-LBPRGKRZSA-N 1 0 234.347 2.008 40 0 BEABRO Cc1nc([C@@H]2CC[N@@H+](C)C2)c2sccn12 ZINC000257327373 180044341 /nfs/dbraw/zinc/04/43/41/180044341.db2.gz XBBYBNKRGXZTQM-SECBINFHSA-N 1 0 221.329 2.123 40 0 BEABRO Cc1nccc([C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000072350798 180209118 /nfs/dbraw/zinc/20/91/18/180209118.db2.gz SEOHCZWTMQGHPF-ZDUSSCGKSA-N 1 0 231.343 2.374 40 0 BEABRO CC[N@@H+]1CCC[C@@H](Cc2cnc(NC)cn2)CC1 ZINC000257262526 351042950 /nfs/dbraw/zinc/04/29/50/351042950.db2.gz LLTJCGYLUDPULC-GFCCVEGCSA-N 1 0 248.374 2.183 40 0 BEABRO CC(C)[NH+]1CCC2(CC1)c1ccccc1NC2=O ZINC000096062818 187974975 /nfs/dbraw/zinc/97/49/75/187974975.db2.gz HQLKWXNZOJBZKF-UHFFFAOYSA-N 1 0 244.338 2.381 40 0 BEABRO CC(C)Cn1ccc(CNCc2cccn2C)n1 ZINC000256052229 188020777 /nfs/dbraw/zinc/02/07/77/188020777.db2.gz MLXHMBRWOPSSTG-UHFFFAOYSA-N 1 0 246.358 2.167 40 0 BEABRO CC(C)c1ccc([C@H](C[NH3+])N(C)C)cc1 ZINC000019796042 353120654 /nfs/dbraw/zinc/12/06/54/353120654.db2.gz BSDWAFYGYONRKD-ZDUSSCGKSA-N 1 0 206.333 2.371 40 0 BEABRO C1CCC([N@@H+]2CCN[C@@H]3CCCC[C@H]32)C1 ZINC000218827772 188251766 /nfs/dbraw/zinc/25/17/66/188251766.db2.gz ZWKJNDZNZSTNMG-CHWSQXEVSA-N 1 0 208.349 2.145 40 0 BEABRO CC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000001675930 188274302 /nfs/dbraw/zinc/27/43/02/188274302.db2.gz XNDPPXXLNZOULZ-UHFFFAOYSA-N 1 0 203.285 2.024 40 0 BEABRO C[NH+]1CCC(O)(c2ccc(Cl)c(F)c2)CC1 ZINC000079030387 188291425 /nfs/dbraw/zinc/29/14/25/188291425.db2.gz ZYBMVCZREHLXME-UHFFFAOYSA-N 1 0 243.709 2.392 40 0 BEABRO CC(C)N(C[C@@H]1CC[NH2+]C1)C(=O)OC(C)(C)C ZINC000079437641 188291558 /nfs/dbraw/zinc/29/15/58/188291558.db2.gz GFOHWUANGLHYFD-LLVKDONJSA-N 1 0 242.363 2.241 40 0 BEABRO c1cc([C@H]2CCC[NH2+]2)nc(N2CCCC2)c1 ZINC000072386371 188307087 /nfs/dbraw/zinc/30/70/87/188307087.db2.gz JEJBLVBYRAJKON-LLVKDONJSA-N 1 0 217.316 2.106 40 0 BEABRO FCCn1nccc1C[NH2+]Cc1cccs1 ZINC000256053699 180936758 /nfs/dbraw/zinc/93/67/58/180936758.db2.gz SMUKJHMKHVBEOG-UHFFFAOYSA-N 1 0 239.319 2.204 40 0 BEABRO Cc1ccccc1OC[C@H](O)C[NH2+]C(C)(C)C ZINC000016758590 188318923 /nfs/dbraw/zinc/31/89/23/188318923.db2.gz BJOVXRRJZMTSML-GFCCVEGCSA-N 1 0 237.343 2.123 40 0 BEABRO Cc1[nH+]c(N)nc(N)c1-c1ccc(Cl)cc1 ZINC000013282284 188342489 /nfs/dbraw/zinc/34/24/89/188342489.db2.gz SNBBQZGVKQEBQT-UHFFFAOYSA-N 1 0 234.690 2.270 40 0 BEABRO CC(C)Cc1ccc(C[NH2+]C2CC2)n1C ZINC000226020215 188358088 /nfs/dbraw/zinc/35/80/88/188358088.db2.gz PDSVQPZECUTTGN-UHFFFAOYSA-N 1 0 206.333 2.476 40 0 BEABRO Fc1cccc2[nH]cc([C@H]3CC[NH2+]C3)c21 ZINC000082927896 181004236 /nfs/dbraw/zinc/00/42/36/181004236.db2.gz LBTLCUXSOAXTQM-QMMMGPOBSA-N 1 0 204.248 2.384 40 0 BEABRO Cc1ccc2[nH]c([C@H]3CC[N@@H+](C)C3)nc2c1 ZINC000035446554 357242892 /nfs/dbraw/zinc/24/28/92/357242892.db2.gz MXVBUXPSTQBXIZ-JTQLQIEISA-N 1 0 215.300 2.290 40 0 biogenic,in-vitro BEABRO CCOc1ccc([C@H](CO)[NH+]2CCCC2)cc1 ZINC000041265939 358747737 /nfs/dbraw/zinc/74/77/37/358747737.db2.gz PMKVULKWGMDLAQ-AWEZNQCLSA-N 1 0 235.327 2.215 40 0 BEABRO CNC(=O)C[C@@H](c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000072208327 259523572 /nfs/dbraw/zinc/52/35/72/259523572.db2.gz GINGSGJMUDUGCH-KBPBESRZSA-N 1 0 246.354 2.048 40 0 BEABRO CC(C)Oc1ccc([C@H]2CCC[NH2+]2)cn1 ZINC000072211882 259525057 /nfs/dbraw/zinc/52/50/57/259525057.db2.gz MOGGOPROCNNQJW-LLVKDONJSA-N 1 0 206.289 2.293 40 0 BEABRO CCOC(=O)[C@@H]1CC[NH2+][C@@H]1c1ccc(F)cc1 ZINC000257197975 370683305 /nfs/dbraw/zinc/68/33/05/370683305.db2.gz OVVYFUJXQSDWMI-VXGBXAGGSA-N 1 0 237.274 2.039 40 0 BEABRO CC[N@@H+]1CCC[C@H]1c1ccc(N(C)C)nc1 ZINC000072212588 259525932 /nfs/dbraw/zinc/52/59/32/259525932.db2.gz QWHIRYRSSNOGCQ-LBPRGKRZSA-N 1 0 219.332 2.304 40 0 BEABRO [NH3+]C1(Cc2ccc(Br)cc2)CC1 ZINC000054404924 181331852 /nfs/dbraw/zinc/33/18/52/181331852.db2.gz SALHGKBAZNVKNT-UHFFFAOYSA-N 1 0 226.117 2.483 40 0 BEABRO [NH3+]C1(c2ccc(C(F)(F)F)cn2)CC1 ZINC000091691820 181334193 /nfs/dbraw/zinc/33/41/93/181334193.db2.gz YYCVEHOBBYFBIN-UHFFFAOYSA-N 1 0 202.179 2.048 40 0 BEABRO [NH3+]C1CCN(Cc2cccc(Cl)c2F)CC1 ZINC000038539585 181344491 /nfs/dbraw/zinc/34/44/91/181344491.db2.gz HROXXKVMXIDTHF-UHFFFAOYSA-N 1 0 242.725 2.402 40 0 BEABRO Cc1cc([C@H]2CCC[N@H+]2C)c[nH]c1=S ZINC000072218246 259528980 /nfs/dbraw/zinc/52/89/80/259528980.db2.gz XNYOUKMMXOSSOY-SNVBAGLBSA-N 1 0 208.330 2.445 40 0 BEABRO [NH3+]CC1(c2cccc(Cl)c2)CCC(O)CC1 ZINC000020443377 181363117 /nfs/dbraw/zinc/36/31/17/181363117.db2.gz HMDUJAKYIFZHBL-UHFFFAOYSA-N 1 0 239.746 2.471 40 0 BEABRO [NH3+]CCN(Cc1c(F)cccc1Cl)C1CC1 ZINC000032100831 181390727 /nfs/dbraw/zinc/39/07/27/181390727.db2.gz RZYLNYCTCWPRKG-UHFFFAOYSA-N 1 0 242.725 2.402 40 0 BEABRO [NH3+]CCOCc1cc(Cl)cc(Cl)c1 ZINC000089262658 181399632 /nfs/dbraw/zinc/39/96/32/181399632.db2.gz QJTFFQZHLAIHCR-UHFFFAOYSA-N 1 0 220.099 2.469 40 0 BEABRO [NH3+]CCc1c[nH]c(-c2ccc(Cl)cc2)n1 ZINC000071524052 181411157 /nfs/dbraw/zinc/41/11/57/181411157.db2.gz IUEPMXQFZCSVRU-UHFFFAOYSA-N 1 0 221.691 2.231 40 0 BEABRO [NH3+]CCc1cnc(-c2cccs2)s1 ZINC000057496319 181412859 /nfs/dbraw/zinc/41/28/59/181412859.db2.gz SGEKUARAWVNPTP-UHFFFAOYSA-N 1 0 210.327 2.373 40 0 BEABRO COC(=O)c1cccc([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000117296863 368342516 /nfs/dbraw/zinc/34/25/16/368342516.db2.gz NIOGYEYZJWSVBN-BTTYYORXSA-N 1 0 245.322 2.471 40 0 BEABRO Cc1cccnc1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000205699128 368359433 /nfs/dbraw/zinc/35/94/33/368359433.db2.gz VXSBXBNMKZBQLK-YHWZYXNKSA-N 1 0 216.328 2.463 40 0 BEABRO [NH3+]C[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC000054586838 181438688 /nfs/dbraw/zinc/43/86/88/181438688.db2.gz YLAYUIMEMDLUBM-WPRPVWTQSA-N 1 0 213.227 2.350 40 0 BEABRO [NH3+]C[C@]1(CO)C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000062713766 181469637 /nfs/dbraw/zinc/46/96/37/181469637.db2.gz VNCYDWKHUUKZGP-MNOVXSKESA-N 1 0 246.137 2.418 40 0 BEABRO [NH3+]Cc1ccc(NC(=O)C2CCCC2)cc1 ZINC000021957999 181484946 /nfs/dbraw/zinc/48/49/46/181484946.db2.gz FRZGMJSUWWWOKF-UHFFFAOYSA-N 1 0 218.300 2.274 40 0 BEABRO Cc1ccc(OCCC[NH+]2CCCC2)cn1 ZINC000256053283 370636777 /nfs/dbraw/zinc/63/67/77/370636777.db2.gz QVYQJJYELPDFRK-UHFFFAOYSA-N 1 0 220.316 2.255 40 0 BEABRO [NH3+][C@H](c1ccc(F)cc1)c1ccccn1 ZINC000011737314 181630840 /nfs/dbraw/zinc/63/08/40/181630840.db2.gz ZGFGIMCENHJDFB-GFCCVEGCSA-N 1 0 202.232 2.269 40 0 BEABRO C[C@H]1O[C@@H](CC[NH3+])C[C@@H]1Cc1ccccc1 ZINC000225750377 371572837 /nfs/dbraw/zinc/57/28/37/371572837.db2.gz SKEWEKXQTREGSI-XBFCOCLRSA-N 1 0 219.328 2.372 40 0 BEABRO C[C@H]1O[C@H]2C[C@@H](C(F)(F)F)C[C@@H]([NH3+])[C@@H]2[C@@H]1C ZINC000225763309 371574289 /nfs/dbraw/zinc/57/42/89/371574289.db2.gz CZVKMVVAGFXBBQ-RERUZZKTSA-N 1 0 237.265 2.326 40 0 BEABRO Fc1cccc(COC[C@@H]2CCC[NH2+]2)c1 ZINC000028521839 371610100 /nfs/dbraw/zinc/61/01/00/371610100.db2.gz KOZVQIGMQPYXST-LBPRGKRZSA-N 1 0 209.264 2.094 40 0 BEABRO COc1cccc(N2CC[NH2+][C@H]3CCC[C@H]32)c1 ZINC000218844353 372159990 /nfs/dbraw/zinc/15/99/90/372159990.db2.gz WXARDROQBJKFJM-UONOGXRCSA-N 1 0 232.327 2.026 40 0 BEABRO O=C(Nc1ccccc1)O[C@@H]1C[NH+]2CCC1CC2 ZINC000000050683 182377322 /nfs/dbraw/zinc/37/73/22/182377322.db2.gz JEPJAGMRBZWMCT-CYBMUJFWSA-N 1 0 246.310 2.329 40 0 BEABRO OCCOC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000079390544 183085843 /nfs/dbraw/zinc/08/58/43/183085843.db2.gz ZSLPPTNIOXWNFI-HNNXBMFYSA-N 1 0 249.354 2.050 40 0 BEABRO OC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000041246393 183114746 /nfs/dbraw/zinc/11/47/46/183114746.db2.gz GVSPIIQXKGZSAX-LBPRGKRZSA-N 1 0 225.719 2.469 40 0 BEABRO OC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000041246409 183114796 /nfs/dbraw/zinc/11/47/96/183114796.db2.gz RHMXXHRADUWXPG-LBPRGKRZSA-N 1 0 225.719 2.469 40 0 BEABRO CCCCc1noc([C@H]2CCC[NH2+]CC2)n1 ZINC000095095442 169032383 /nfs/dbraw/zinc/03/23/83/169032383.db2.gz VCSDNFPBFODQNS-JTQLQIEISA-N 1 0 223.320 2.269 40 0 BEABRO O[C@@H]1C2(C[NH2+][C@@]13C=CCCC3)CCCCC2 ZINC000001722973 183186890 /nfs/dbraw/zinc/18/68/90/183186890.db2.gz IOXFYROGVKPFKG-TZMCWYRMSA-N 1 0 221.344 2.380 40 0 BEABRO Oc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000001603964 183268744 /nfs/dbraw/zinc/26/87/44/183268744.db2.gz CEHROLDZFZBIBK-UHFFFAOYSA-N 1 0 205.301 2.421 40 0 BEABRO c1cc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)n[nH]1 ZINC000072187763 183342072 /nfs/dbraw/zinc/34/20/72/183342072.db2.gz KGQVCDKEBFLIOC-ZDUSSCGKSA-N 1 0 242.326 2.184 40 0 BEABRO CCC[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC000001672726 169256239 /nfs/dbraw/zinc/25/62/39/169256239.db2.gz HEWZDCKITPVSQM-UHFFFAOYSA-N 1 0 226.707 2.278 40 0 BEABRO c1sc(-c2ccccc2)nc1[C@H]1COCCN1 ZINC000096218005 183383266 /nfs/dbraw/zinc/38/32/66/183383266.db2.gz POWSRGMOUDDVFR-LLVKDONJSA-N 1 0 246.335 2.471 40 0 BEABRO c1ccc(-c2nc([C@H]3CCC[NH2+]C3)no2)cc1 ZINC000060393381 183383370 /nfs/dbraw/zinc/38/33/70/183383370.db2.gz RFNUNTOBFIYXAW-NSHDSACASA-N 1 0 229.283 2.204 40 0 BEABRO c1cc([C@H]2CCC[N@@H+](Cc3cncs3)C2)n[nH]1 ZINC000121187296 183361848 /nfs/dbraw/zinc/36/18/48/183361848.db2.gz NDGZPNSUNNAHRK-JTQLQIEISA-N 1 0 248.355 2.246 40 0 BEABRO c1ccc(Cc2cnc([C@@H]3CCC[NH2+]3)cn2)cc1 ZINC000072384557 183410725 /nfs/dbraw/zinc/41/07/25/183410725.db2.gz VSKYTHVZPNDWSY-AWEZNQCLSA-N 1 0 239.322 2.492 40 0 BEABRO c1c2c(nn1Cc1ccccc1)C[C@@H]1CC[C@H]2[NH2+]1 ZINC000096510262 183412195 /nfs/dbraw/zinc/41/21/95/183412195.db2.gz JXEJEWOQGSCZGP-GXTWGEPZSA-N 1 0 239.322 2.281 40 0 BEABRO c1ccc(CN2CC[NH+](CC3CC3)CC2)cc1 ZINC000019366694 183398745 /nfs/dbraw/zinc/39/87/45/183398745.db2.gz YKSRZPBILWBLSW-UHFFFAOYSA-N 1 0 230.355 2.214 40 0 BEABRO c1ccc2nc(OC[C@@H]3CCC[NH2+]C3)cnc2c1 ZINC000044029920 183458114 /nfs/dbraw/zinc/45/81/14/183458114.db2.gz KBKGCMTYPJSOTQ-LLVKDONJSA-N 1 0 243.310 2.008 40 0 BEABRO CN(CC[NH3+])Cc1cccc(Cl)c1Cl ZINC000054416851 383842384 /nfs/dbraw/zinc/84/23/84/383842384.db2.gz IJVWTVOYXYJTNJ-UHFFFAOYSA-N 1 0 233.142 2.384 40 0 BEABRO CC(C)(C)OC(=O)N1CCC([NH+]2CCC2)CC1 ZINC000087493438 383848927 /nfs/dbraw/zinc/84/89/27/383848927.db2.gz DXDSHEWYMGOXRR-UHFFFAOYSA-N 1 0 240.347 2.092 40 0 BEABRO [NH3+]Cc1cccc(F)c1Br ZINC000066348116 383861507 /nfs/dbraw/zinc/86/15/07/383861507.db2.gz ZTILVEXWKKYWNQ-UHFFFAOYSA-N 1 0 204.042 2.047 40 0 BEABRO c1ccc(CO[C@@H]2C[NH2+]CC[C@]23CCCO3)cc1 ZINC000257202642 383908701 /nfs/dbraw/zinc/90/87/01/383908701.db2.gz AMSIXYZLRHTKJZ-HUUCEWRRSA-N 1 0 247.338 2.114 40 0 BEABRO CC(=O)[C@](C)(CC[NH+](C)C)c1ccccc1 ZINC000001593231 383909836 /nfs/dbraw/zinc/90/98/36/383909836.db2.gz MSAVGSNUZXCEJN-AWEZNQCLSA-N 1 0 219.328 2.485 40 0 BEABRO CCO[C@@H](CN(C)C)C(Cl)(Cl)Cl ZINC000001557941 383906021 /nfs/dbraw/zinc/90/60/21/383906021.db2.gz FZCUAQVZBBAPEK-LURJTMIESA-N 1 0 234.554 2.323 40 0 BEABRO [NH3+]C[C@@H](c1ccc(F)c(F)c1)N1CCCC1 ZINC000022167264 383984567 /nfs/dbraw/zinc/98/45/67/383984567.db2.gz YCCYMMUPEGAVFC-LBPRGKRZSA-N 1 0 226.270 2.060 40 0 BEABRO Cc1cc(C)cc(C2(O)CC[NH+](C)CC2)c1 ZINC000037745908 384007936 /nfs/dbraw/zinc/00/79/36/384007936.db2.gz KUYFULLEXFAPNT-UHFFFAOYSA-N 1 0 219.328 2.217 40 0 BEABRO CC(C)(C)C(=O)N1CC[NH+]=Cc2cc(N)ccc21 ZINC000073642175 384029079 /nfs/dbraw/zinc/02/90/79/384029079.db2.gz IXLHRXCMLYOKTR-UHFFFAOYSA-N 1 0 245.326 2.080 40 0 BEABRO N[C@@H](C[NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000035677083 384089292 /nfs/dbraw/zinc/08/92/92/384089292.db2.gz NWFCYTZWYNFJAU-HNNXBMFYSA-N 1 0 242.322 2.224 40 0 BEABRO N[C@H](C[NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000035677082 384089377 /nfs/dbraw/zinc/08/93/77/384089377.db2.gz NWFCYTZWYNFJAU-OAHLLOKOSA-N 1 0 242.322 2.224 40 0 BEABRO C[NH+](C)C[C@@H]1CCCc2ccccc2C1=O ZINC000005207924 384105653 /nfs/dbraw/zinc/10/56/53/384105653.db2.gz KXZUEKMRAUIUJL-LBPRGKRZSA-N 1 0 217.312 2.383 40 0 BEABRO Fc1ccc2c(c1)[nH]cc2[C@@H]1CC[NH2+]C1 ZINC000070453470 384108727 /nfs/dbraw/zinc/10/87/27/384108727.db2.gz BVCGGWSWVISFKH-MRVPVSSYSA-N 1 0 204.248 2.384 40 0 BEABRO C[C@H]1[C@H]2CC[N@H+](C)[C@@H]1Cc1ccc(O)cc12 ZINC000005766170 384130690 /nfs/dbraw/zinc/13/06/90/384130690.db2.gz SVPZRQDNNLAJMW-MRCXROJRSA-N 1 0 217.312 2.372 40 0 BEABRO CC(C)N(C[C@@H]1CCC[NH2+]1)C(=O)OC(C)(C)C ZINC000079437633 384146795 /nfs/dbraw/zinc/14/67/95/384146795.db2.gz CKOJRNZJECKZBJ-NSHDSACASA-N 1 0 242.363 2.384 40 0 BEABRO CCC[C@@H]([NH3+])CN(CC)Cc1ccncc1 ZINC000042516914 384152965 /nfs/dbraw/zinc/15/29/65/384152965.db2.gz GDQFDTOBHQYZQZ-CYBMUJFWSA-N 1 0 221.348 2.031 40 0 BEABRO C[C@H]1[C@H]2C[C@H]([C@@H](C[NH+](C)C)C2=O)C1(C)C ZINC000005955058 384141095 /nfs/dbraw/zinc/14/10/95/384141095.db2.gz IORDCIHONMRMKU-LNFKQOIKSA-N 1 0 209.333 2.045 40 0 BEABRO [NH3+]C[C@H](O)c1ccc(OCc2ccccc2)cc1 ZINC000006580272 384157784 /nfs/dbraw/zinc/15/77/84/384157784.db2.gz YZOUUVUNKGUDSK-HNNXBMFYSA-N 1 0 243.306 2.258 40 0 in-vitro BEABRO CO[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042956381 384171923 /nfs/dbraw/zinc/17/19/23/384171923.db2.gz LBVJDSQRRDQZAY-SECBINFHSA-N 1 0 230.105 2.095 40 0 BEABRO Fc1ccc(CNC2CC[NH2+]CC2)c(Cl)c1 ZINC000067802650 384165404 /nfs/dbraw/zinc/16/54/04/384165404.db2.gz MBQLPUBUPKOUJG-UHFFFAOYSA-N 1 0 242.725 2.321 40 0 BEABRO [NH3+]Cc1ccc(N2CCCCCC2=O)cc1 ZINC000006863252 384169463 /nfs/dbraw/zinc/16/94/63/384169463.db2.gz KZXBTGKDVTXACG-UHFFFAOYSA-N 1 0 218.300 2.052 40 0 BEABRO CO[C@H](C[NH3+])c1cccc(Br)c1 ZINC000043022368 384170564 /nfs/dbraw/zinc/17/05/64/384170564.db2.gz CNINIIWEUVZROX-SECBINFHSA-N 1 0 230.105 2.095 40 0 BEABRO C[NH2+][C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000072207681 384200914 /nfs/dbraw/zinc/20/09/14/384200914.db2.gz PRWFSZXEPFDTEG-MNOVXSKESA-N 1 0 242.363 2.241 40 0 BEABRO CNc1cc(C[C@H]2CCC[N@@H+](C(C)C)C2)ncn1 ZINC000072356987 384209630 /nfs/dbraw/zinc/20/96/30/384209630.db2.gz ANCBIONJYYCODZ-GFCCVEGCSA-N 1 0 248.374 2.181 40 0 BEABRO Nc1nccc([C@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000072356810 384210781 /nfs/dbraw/zinc/21/07/81/384210781.db2.gz MHNAKIKPBDEVJU-GFCCVEGCSA-N 1 0 232.331 2.138 40 0 BEABRO Nc1nccc([C@@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000072356809 384210871 /nfs/dbraw/zinc/21/08/71/384210871.db2.gz MHNAKIKPBDEVJU-LBPRGKRZSA-N 1 0 232.331 2.138 40 0 BEABRO Cc1c[nH]nc1[C@@H]1C[N@@H+](C2CCCCC2)CCO1 ZINC000072381192 384217683 /nfs/dbraw/zinc/21/76/83/384217683.db2.gz YUBJCCKNWSOKGD-ZDUSSCGKSA-N 1 0 249.358 2.424 40 0 BEABRO [NH3+][C@H]1CCCC[C@H]1NCc1ccccc1 ZINC000095775687 384394859 /nfs/dbraw/zinc/39/48/59/384394859.db2.gz LATNVBUKYCPGPI-QWHCGFSZSA-N 1 0 204.317 2.046 40 0 BEABRO O=C1CC2(CC[NH2+]CC2)c2ccc(F)cc21 ZINC000084780262 384424686 /nfs/dbraw/zinc/42/46/86/384424686.db2.gz HEIYCCPCPODGIR-UHFFFAOYSA-N 1 0 219.259 2.033 40 0 BEABRO Cn1c2ccccc2nc1CCCCCO ZINC000095532030 384380361 /nfs/dbraw/zinc/38/03/61/384380361.db2.gz SPALTDMZXSXNFQ-UHFFFAOYSA-N 1 0 218.300 2.278 40 0 BEABRO c1csc(Cc2nc([C@@H]3CCC[NH2+]3)no2)c1 ZINC000070947249 384483606 /nfs/dbraw/zinc/48/36/06/384483606.db2.gz TTXVDQDGPWEYMY-VIFPVBQESA-N 1 0 235.312 2.146 40 0 BEABRO Cn1ncc(Cl)c1[C@H]1CCCCC[NH2+]1 ZINC000019288569 384514911 /nfs/dbraw/zinc/51/49/11/384514911.db2.gz KOEIVZDNPNYLIH-SECBINFHSA-N 1 0 213.712 2.278 40 0 BEABRO Cn1ncc(Cl)c1[C@@H]1CCCCC[NH2+]1 ZINC000019288568 384516315 /nfs/dbraw/zinc/51/63/15/384516315.db2.gz KOEIVZDNPNYLIH-VIFPVBQESA-N 1 0 213.712 2.278 40 0 BEABRO CO[C@@](C(N)=[NH2+])(c1ccccc1)C(F)(F)F ZINC000199556565 384521203 /nfs/dbraw/zinc/52/12/03/384521203.db2.gz WFNMKCBIWAWLBF-SECBINFHSA-N 1 0 232.205 2.027 40 0 BEABRO CCCC[NH2+]C1CCC2(CC1)OCCO2 ZINC000019907122 384556569 /nfs/dbraw/zinc/55/65/69/384556569.db2.gz ZQONGMAZWYDWSL-UHFFFAOYSA-N 1 0 213.321 2.062 40 0 BEABRO C[C@](CO)(c1cccs1)[NH+]1CCCC1 ZINC000070453236 384562426 /nfs/dbraw/zinc/56/24/26/384562426.db2.gz AFSOIRBNVCUECP-NSHDSACASA-N 1 0 211.330 2.051 40 0 BEABRO C[C@@H]([NH3+])[C@H]1CC[C@H](C(=O)Nc2ccncc2)CC1 ZINC000100002002 384606940 /nfs/dbraw/zinc/60/69/40/384606940.db2.gz IYOZTVGMEWJPKR-UTUOFQBUSA-N 1 0 247.342 2.174 40 0 in-vivo BEABRO [NH3+]CCc1cc2ccc(Br)cc2[nH]1 ZINC000020269470 384609973 /nfs/dbraw/zinc/60/99/73/384609973.db2.gz BKDLPOGROBEOJM-UHFFFAOYSA-N 1 0 239.116 2.432 40 0 BEABRO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000082321213 384665931 /nfs/dbraw/zinc/66/59/31/384665931.db2.gz HRTXGVAWGLKWRN-LBPRGKRZSA-N 1 0 232.327 2.275 40 0 BEABRO C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(F)cc2)C1 ZINC000082324279 384669441 /nfs/dbraw/zinc/66/94/41/384669441.db2.gz ZDVXCFPUDGMJII-SNVBAGLBSA-N 1 0 236.290 2.106 40 0 BEABRO [NH3+][C@H]1CC[C@H](N2Cc3ccc(F)cc3C2=O)CC1 ZINC000100807061 384653789 /nfs/dbraw/zinc/65/37/89/384653789.db2.gz YKBYFTQGWMFYBS-TXEJJXNPSA-N 1 0 248.301 2.051 40 0 BEABRO Cc1[nH+]c(-c2ccccc2F)c(N)n1C ZINC000100761188 384654129 /nfs/dbraw/zinc/65/41/29/384654129.db2.gz LPZJMMDEAOHNDC-UHFFFAOYSA-N 1 0 205.236 2.117 40 0 BEABRO Cc1[nH+]c(-c2cccc(F)c2)c(N)n1C ZINC000100761183 384654404 /nfs/dbraw/zinc/65/44/04/384654404.db2.gz WWSCSXSAXPXRCQ-UHFFFAOYSA-N 1 0 205.236 2.117 40 0 BEABRO CC(C)(C)Cc1noc([C@H]2CCC[NH2+]C2)n1 ZINC000082673401 384699833 /nfs/dbraw/zinc/69/98/33/384699833.db2.gz ZLFQYHKOPZRJMR-VIFPVBQESA-N 1 0 223.320 2.125 40 0 BEABRO [NH3+]C[C@H](c1ccc(O)cc1)C1(O)CCCCC1 ZINC000021981407 384711782 /nfs/dbraw/zinc/71/17/82/384711782.db2.gz BHCUWXACHAFFSK-CYBMUJFWSA-N 1 0 235.327 2.130 40 0 in-man BEABRO CCC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](C)C1 ZINC000022538663 384766922 /nfs/dbraw/zinc/76/69/22/384766922.db2.gz KXYNBVINDFDWQW-GHMZBOCLSA-N 1 0 213.321 2.060 40 0 BEABRO CC(C)(C)OC(=O)NCCCC1CC[NH2+]CC1 ZINC000083749803 384795785 /nfs/dbraw/zinc/79/57/85/384795785.db2.gz BCVMKVMKZSEQIX-UHFFFAOYSA-N 1 0 242.363 2.291 40 0 BEABRO CCOc1ccc([C@H]2C[C@H]2C[NH2+]C)cc1 ZINC000054588791 384841629 /nfs/dbraw/zinc/84/16/29/384841629.db2.gz NIFATAJCKVXGJO-WCQYABFASA-N 1 0 205.301 2.408 40 0 BEABRO COc1cccc(NC(=O)[C@H]2CCCCC[NH2+]2)c1 ZINC000083896429 384920623 /nfs/dbraw/zinc/92/06/23/384920623.db2.gz UKHXIDNZFPRNPV-CYBMUJFWSA-N 1 0 248.326 2.166 40 0 BEABRO [NH3+]C[C@H]1CCCCN1Cc1cc(F)cc(F)c1 ZINC000084946839 384997933 /nfs/dbraw/zinc/99/79/33/384997933.db2.gz VDEFUSNRDGBFBF-CYBMUJFWSA-N 1 0 240.297 2.278 40 0 BEABRO Fc1cccc(Cl)c1CN[C@@H]1CCC[NH2+]C1 ZINC000072203645 385053659 /nfs/dbraw/zinc/05/36/59/385053659.db2.gz QSANLEXIMHKVDT-SECBINFHSA-N 1 0 242.725 2.321 40 0 BEABRO O=CN1CCCC[C@H]1c1cccnc1NC1CC1 ZINC000072213750 385084321 /nfs/dbraw/zinc/08/43/21/385084321.db2.gz GNQIKGCWHRMVSD-ZDUSSCGKSA-N 1 0 245.326 2.339 40 0 BEABRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]([NH3+])C(C)(C)C ZINC000072208911 385063648 /nfs/dbraw/zinc/06/36/48/385063648.db2.gz VUWSUDMNWJUZAL-BDAKNGLRSA-N 1 0 230.352 2.273 40 0 BEABRO c1cnc(NC2CC2)c([C@@H]2CCCC[NH2+]2)c1 ZINC000072213730 385084480 /nfs/dbraw/zinc/08/44/80/385084480.db2.gz KHBGOMXKMJIPJB-LBPRGKRZSA-N 1 0 217.316 2.471 40 0 BEABRO CCOc1ncccc1[C@H]1CCCC[NH2+]1 ZINC000072211852 385075956 /nfs/dbraw/zinc/07/59/56/385075956.db2.gz PSKVIWVRHQYDEN-LLVKDONJSA-N 1 0 206.289 2.295 40 0 BEABRO CCCNc1ccc(C2=[NH+]CCC2)cn1 ZINC000072213175 385079604 /nfs/dbraw/zinc/07/96/04/385079604.db2.gz TVEJSVYURJOVEK-UHFFFAOYSA-N 1 0 203.289 2.486 40 0 BEABRO CCN(CC)c1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC000072212818 385080588 /nfs/dbraw/zinc/08/05/88/385080588.db2.gz YGBUMWZHUNMUKP-LBPRGKRZSA-N 1 0 219.332 2.352 40 0 BEABRO CCCNc1ncccc1[C@H]1CCC[NH2+]1 ZINC000072213117 385080600 /nfs/dbraw/zinc/08/06/00/385080600.db2.gz XCHRFGZPYMEFFY-LLVKDONJSA-N 1 0 205.305 2.328 40 0 BEABRO CC1(C)C=C([NH2+]C[C@@H]2CCCO2)CC(=O)C1 ZINC000105028162 385032269 /nfs/dbraw/zinc/03/22/69/385032269.db2.gz LLXNVKOYNFZVQB-LBPRGKRZSA-N 1 0 223.316 2.028 40 0 BEABRO Cc1cc(N2CCCC2)ncc1[C@@H](C)[NH3+] ZINC000072223479 385112304 /nfs/dbraw/zinc/11/23/04/385112304.db2.gz AXHZTJHZLOUICX-SNVBAGLBSA-N 1 0 205.305 2.010 40 0 BEABRO CNc1ccc([C@H]([NH3+])c2ccccc2)c(C)n1 ZINC000072224108 385115779 /nfs/dbraw/zinc/11/57/79/385115779.db2.gz XZCIULWRVROEDG-CQSZACIVSA-N 1 0 227.311 2.480 40 0 BEABRO CCCn1cc(CNc2ccccn2)cn1 ZINC000072226474 385126450 /nfs/dbraw/zinc/12/64/50/385126450.db2.gz XDGOHXIAWDCBTJ-UHFFFAOYSA-N 1 0 216.288 2.300 40 0 BEABRO COC1(c2ccccc2)CCC([NH3+])CC1 ZINC000095095620 385138260 /nfs/dbraw/zinc/13/82/60/385138260.db2.gz ZXWIWZGIMQXEFN-UHFFFAOYSA-N 1 0 205.301 2.430 40 0 BEABRO c1cc(N2CCCC2)ncc1[C@@H]1CCC[NH2+]1 ZINC000072215904 385094504 /nfs/dbraw/zinc/09/45/04/385094504.db2.gz RUXOOJLVDPWHMV-LBPRGKRZSA-N 1 0 217.316 2.106 40 0 BEABRO Cc1cc(=O)[nH]cc1[C@@H]1CCCC[N@H+]1C ZINC000072218154 385100277 /nfs/dbraw/zinc/10/02/77/385100277.db2.gz MUMIHOHSBATYJF-NSHDSACASA-N 1 0 206.289 2.252 40 0 BEABRO CC[N@@H+]1CCC[C@@H]1c1cnc(N)c(C)c1 ZINC000072218431 385100928 /nfs/dbraw/zinc/10/09/28/385100928.db2.gz VMWWWYACWAJDNS-LLVKDONJSA-N 1 0 205.305 2.129 40 0 BEABRO CNc1ncc([C@H]2CCC[N@@H+]2C)cc1C ZINC000072218966 385105123 /nfs/dbraw/zinc/10/51/23/385105123.db2.gz BKKQCJIJJHRBSG-LLVKDONJSA-N 1 0 205.305 2.198 40 0 BEABRO Cc1nc(N2CCCC2)ccc1[C@@H]1CCC[NH2+]1 ZINC000072218902 385105493 /nfs/dbraw/zinc/10/54/93/385105493.db2.gz MKEQLXRJMCCJEF-ZDUSSCGKSA-N 1 0 231.343 2.415 40 0 BEABRO CCCN1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000096510387 385248817 /nfs/dbraw/zinc/24/88/17/385248817.db2.gz UPRSUELZGIBYBT-LLVKDONJSA-N 1 0 204.317 2.034 40 0 BEABRO Clc1ccc(-n2cc3c(n2)CC[NH2+]C3)cc1 ZINC000096510408 385249544 /nfs/dbraw/zinc/24/95/44/385249544.db2.gz GXFCLTWRXUVNKE-UHFFFAOYSA-N 1 0 233.702 2.171 40 0 BEABRO [NH3+]C[C@@H]1CCCCN1CCc1ccccc1F ZINC000096523597 385267561 /nfs/dbraw/zinc/26/75/61/385267561.db2.gz NLLVJKVMPNGXEI-ZDUSSCGKSA-N 1 0 236.334 2.181 40 0 BEABRO [NH3+][C@H]1CCCN(CCCC2CCCC2)C1 ZINC000096523560 385268748 /nfs/dbraw/zinc/26/87/48/385268748.db2.gz BDSHWQKGRNAEMW-ZDUSSCGKSA-N 1 0 210.365 2.380 40 0 BEABRO CCCC[NH+]1CCN(Cc2ccccc2N)CC1 ZINC000096523735 385269435 /nfs/dbraw/zinc/26/94/35/385269435.db2.gz LMNAJCZGBITKEE-UHFFFAOYSA-N 1 0 247.386 2.187 40 0 BEABRO C[C@@H]([NH3+])CN(Cc1ccco1)C1CCCC1 ZINC000096523889 385270655 /nfs/dbraw/zinc/27/06/55/385270655.db2.gz XJPCBTIADHGJKE-LLVKDONJSA-N 1 0 222.332 2.371 40 0 BEABRO [NH3+]CCn1nccc1-c1ccccc1Cl ZINC000096527685 385271255 /nfs/dbraw/zinc/27/12/55/385271255.db2.gz LJQNWNHCBTYZHL-UHFFFAOYSA-N 1 0 221.691 2.162 40 0 BEABRO C[NH+](C)CC[C@@H](N)c1ccc(Cl)cc1 ZINC000020273985 385514649 /nfs/dbraw/zinc/51/46/49/385514649.db2.gz BHCWWKIOLOCHRY-LLVKDONJSA-N 1 0 212.724 2.292 40 0 BEABRO CCO[C@@H](C[NH2+]C)c1ccc(F)cc1F ZINC000062711581 385688669 /nfs/dbraw/zinc/68/86/69/385688669.db2.gz XFCCYKQPKARBEV-NSHDSACASA-N 1 0 215.243 2.262 40 0 BEABRO [NH3+]C[C@]1(CO)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000062713791 385696485 /nfs/dbraw/zinc/69/64/85/385696485.db2.gz BBNDOWPZRLHQRV-QWRGUYRKSA-N 1 0 245.244 2.130 40 0 BEABRO CCSc1ncc(C[NH2+][C@H](C)CC)cn1 ZINC000062717302 385711790 /nfs/dbraw/zinc/71/17/90/385711790.db2.gz GFNOPXYSDSSSFX-SECBINFHSA-N 1 0 225.361 2.477 40 0 BEABRO C[C@@H](F)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000261506721 385816277 /nfs/dbraw/zinc/81/62/77/385816277.db2.gz AILCJMUBAAZTJT-YPMHNXCESA-N 1 0 223.291 2.245 40 0 BEABRO Clc1ccc2c(c1)[C@]1(CC2)COCC[NH2+]1 ZINC000306145528 385994114 /nfs/dbraw/zinc/99/41/14/385994114.db2.gz HTBJMLQEJQRECZ-LBPRGKRZSA-N 1 0 223.703 2.101 40 0 BEABRO CCOc1cccc2c(NCCC[NH3+])ccnc12 ZINC000222681324 386059308 /nfs/dbraw/zinc/05/93/08/386059308.db2.gz QHZINDIWFCCLJE-UHFFFAOYSA-N 1 0 245.326 2.394 40 0 BEABRO CC[NH+](CC)Cc1cccn1CCCOC ZINC000225308893 386184506 /nfs/dbraw/zinc/18/45/06/386184506.db2.gz AEPZDTCYBSMVCY-UHFFFAOYSA-N 1 0 224.348 2.366 40 0 BEABRO C[C@@H]([NH3+])c1ccc(OCC(F)(F)F)cn1 ZINC000072233133 386134783 /nfs/dbraw/zinc/13/47/83/386134783.db2.gz GWMLEFYJEKOQMC-ZCFIWIBFSA-N 1 0 220.194 2.042 40 0 BEABRO CC[NH+](CC)[C@H](CN)c1cccc(C)c1 ZINC000038860269 386140310 /nfs/dbraw/zinc/14/03/10/386140310.db2.gz PYCOBKDXVRLWGL-CYBMUJFWSA-N 1 0 206.333 2.337 40 0 BEABRO C[C@@H]1CO[C@H]2C[C@@H](C(F)(F)F)C[C@@H](C[NH3+])[C@@H]12 ZINC000225761640 386216674 /nfs/dbraw/zinc/21/66/74/386216674.db2.gz ULMGXBABGMHAEG-SQQIUAQRSA-N 1 0 237.265 2.185 40 0 BEABRO O=Cc1cc(F)ccc1OCC[NH+]1CCCC1 ZINC000040541783 386219722 /nfs/dbraw/zinc/21/97/22/386219722.db2.gz QRVLAHXXRZIEAQ-UHFFFAOYSA-N 1 0 237.274 2.113 40 0 BEABRO CCc1ccc(C[NH2+]Cc2ccco2)n1C ZINC000226019523 386232812 /nfs/dbraw/zinc/23/28/12/386232812.db2.gz KOMVNBGMQWOCJC-UHFFFAOYSA-N 1 0 218.300 2.470 40 0 BEABRO Fc1ccc(CN2CC[NH2+][C@H]3CCC[C@H]32)cc1 ZINC000218842529 386241915 /nfs/dbraw/zinc/24/19/15/386241915.db2.gz LBRLCNDADHUNML-UONOGXRCSA-N 1 0 234.318 2.152 40 0 BEABRO C[C@H]1[C@H](O)CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000000270728 386478831 /nfs/dbraw/zinc/47/88/31/386478831.db2.gz VPGJNXCGHFUNEJ-UHTWSYAYSA-N 1 0 205.301 2.060 40 0 BEABRO [NH3+][C@@H]1CCC[C@H]1Nc1ccc(F)cc1F ZINC000218883935 386511061 /nfs/dbraw/zinc/51/10/61/386511061.db2.gz KSZVCASZTHSWLG-MWLCHTKSSA-N 1 0 212.243 2.257 40 0 BEABRO [NH3+][C@H]1CCC[C@@H]1Nc1ccc(F)cc1F ZINC000218883862 386512614 /nfs/dbraw/zinc/51/26/14/386512614.db2.gz KSZVCASZTHSWLG-ONGXEEELSA-N 1 0 212.243 2.257 40 0 BEABRO c1ccc2c(c1)C[C@@H](C[NH+]1CCSCC1)N2 ZINC000087655851 386958893 /nfs/dbraw/zinc/95/88/93/386958893.db2.gz YMZYTNWAJQQRRN-LBPRGKRZSA-N 1 0 234.368 2.072 40 0 BEABRO c1ccc2c(c1)C[C@@H](C[NH+]1CCCC1)N2 ZINC000087655841 386959430 /nfs/dbraw/zinc/95/94/30/386959430.db2.gz UHAZNZBTNMEFAT-LBPRGKRZSA-N 1 0 202.301 2.119 40 0 BEABRO CC(C)[C@H]([NH3+])c1nc2cnccc2n1C1CC1 ZINC000088866288 386987746 /nfs/dbraw/zinc/98/77/46/386987746.db2.gz DODRXJUACMFNOC-LBPRGKRZSA-N 1 0 230.315 2.422 40 0 BEABRO NC(=[NH2+])[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000575423444 387039127 /nfs/dbraw/zinc/03/91/27/387039127.db2.gz NJRWLSBDDNFIKQ-BDAKNGLRSA-N 1 0 239.116 2.489 40 0 BEABRO Cc1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000049169159 387420022 /nfs/dbraw/zinc/42/00/22/387420022.db2.gz LBZYNTQTLNWGDW-ZDUSSCGKSA-N 1 0 243.310 2.368 40 0 biogenic,in-vitro BEABRO Cc1nnc([C@H]2CC[N@H+](Cc3cccs3)C2)o1 ZINC000049169242 387420719 /nfs/dbraw/zinc/42/07/19/387420719.db2.gz RJMBSBVZUJVSME-JTQLQIEISA-N 1 0 249.339 2.429 40 0 biogenic,in-vitro BEABRO CC(C)CC[NH2+]Cc1ccn(C(F)F)n1 ZINC000256051471 387858638 /nfs/dbraw/zinc/85/86/38/387858638.db2.gz JHBIVIQLCWHSMJ-UHFFFAOYSA-N 1 0 217.263 2.414 40 0 BEABRO CCCn1nc(C)cc1C[NH2+]CCCOCC ZINC000256052208 387861284 /nfs/dbraw/zinc/86/12/84/387861284.db2.gz MIUZGMIZUSKPJQ-UHFFFAOYSA-N 1 0 239.363 2.118 40 0 BEABRO CC(C)CC[NH2+]Cc1ccn(CC(F)F)n1 ZINC000256054415 387862395 /nfs/dbraw/zinc/86/23/95/387862395.db2.gz WEERXLZCPXTACQ-UHFFFAOYSA-N 1 0 231.290 2.284 40 0 BEABRO CCCC[NH2+]Cc1cc(C(F)(F)F)n(C)n1 ZINC000256053633 387863388 /nfs/dbraw/zinc/86/33/88/387863388.db2.gz SERVKKXPDJDCKP-UHFFFAOYSA-N 1 0 235.253 2.329 40 0 BEABRO C[C@@H]1C[C@]1(C[NH3+])[C@@H](O)c1ccc(Cl)cc1 ZINC000216576143 388357923 /nfs/dbraw/zinc/35/79/23/388357923.db2.gz FMRUFLXRUIWCBX-JFUSQASVSA-N 1 0 225.719 2.358 40 0 BEABRO CCCC[NH2+]CC1(COC2CCOCC2)CC1 ZINC000217796831 388381646 /nfs/dbraw/zinc/38/16/46/388381646.db2.gz LXNABXWYLMLBNI-UHFFFAOYSA-N 1 0 241.375 2.352 40 0 BEABRO c1ccc(CSC2CC[NH2+]CC2)nc1 ZINC000091362313 388628121 /nfs/dbraw/zinc/62/81/21/388628121.db2.gz KRELIUWCJNPHBK-UHFFFAOYSA-N 1 0 208.330 2.067 40 0 BEABRO CN(CC[C@H]1CCC[NH2+]C1)C(=O)OC(C)(C)C ZINC000199825879 388654766 /nfs/dbraw/zinc/65/47/66/388654766.db2.gz ITIYZLUUEXVVJM-LLVKDONJSA-N 1 0 242.363 2.243 40 0 BEABRO [NH3+]C[C@@H](CO)Cc1ccc(Cl)c(Cl)c1 ZINC000062711346 388655156 /nfs/dbraw/zinc/65/51/56/388655156.db2.gz DDPPHPOMXBYDGG-QMMMGPOBSA-N 1 0 234.126 2.103 40 0 BEABRO [NH3+]C[C@H](CO)Cc1ccc(Cl)c(Cl)c1 ZINC000062711349 388655242 /nfs/dbraw/zinc/65/52/42/388655242.db2.gz DDPPHPOMXBYDGG-MRVPVSSYSA-N 1 0 234.126 2.103 40 0 BEABRO CCCn1c(C)cc(C[NH2+]CCOC)c1C ZINC000223659288 388656609 /nfs/dbraw/zinc/65/66/09/388656609.db2.gz DEZTXKBZRKGJMT-UHFFFAOYSA-N 1 0 224.348 2.251 40 0 BEABRO CCc1nc2ccccc2n1C[C@H]1CCC[NH2+]1 ZINC000062807713 388657819 /nfs/dbraw/zinc/65/78/19/388657819.db2.gz CEDKIDADDSYGOD-LLVKDONJSA-N 1 0 229.327 2.351 40 0 BEABRO CC[NH2+]CCO[C@H]1CC[C@]12CCC21CC1 ZINC000242437344 388722327 /nfs/dbraw/zinc/72/23/27/388722327.db2.gz BZVWUBCXQPNHJR-AAEUAGOBSA-N 1 0 209.333 2.335 40 0 BEABRO O=C1CCc2ccc(C3CC[NH2+]CC3)cc2N1 ZINC000012649662 388722863 /nfs/dbraw/zinc/72/28/63/388722863.db2.gz HVPMYWNYRDNIHW-UHFFFAOYSA-N 1 0 230.311 2.038 40 0 BEABRO CC(C)c1noc([C@@H]2CCC[NH2+]CC2)n1 ZINC000095095437 388759475 /nfs/dbraw/zinc/75/94/75/388759475.db2.gz DHRNPOAZRADQQG-SECBINFHSA-N 1 0 209.293 2.050 40 0 BEABRO [NH3+]C[C@@H]1CCCCN1Cc1ccc(F)c(F)c1 ZINC000096319959 388816583 /nfs/dbraw/zinc/81/65/83/388816583.db2.gz MSAVCWILDMVVQV-NSHDSACASA-N 1 0 240.297 2.278 40 0 BEABRO Fc1ccc(N2CC[NH2+][C@@H]3CCC[C@@H]32)cc1 ZINC000225716588 388840657 /nfs/dbraw/zinc/84/06/57/388840657.db2.gz SILOSBBKHXSDGL-OLZOCXBDSA-N 1 0 220.291 2.156 40 0 BEABRO Cc1ccc(CN2CC[NH2+][C@@H]3CCC[C@@H]32)cc1 ZINC000225715557 388841226 /nfs/dbraw/zinc/84/12/26/388841226.db2.gz SEBNHSQPYQEASB-CABCVRRESA-N 1 0 230.355 2.321 40 0 BEABRO Cc1ccc(N2CC[NH2+][C@H]3CCC[C@@H]32)c(F)c1 ZINC000225717773 388842015 /nfs/dbraw/zinc/84/20/15/388842015.db2.gz WCLVXNUMFSIOLP-JSGCOSHPSA-N 1 0 234.318 2.465 40 0 BEABRO Fc1cc(F)cc(N2CC[NH2+][C@@H]3CCC[C@@H]32)c1 ZINC000225717623 388842527 /nfs/dbraw/zinc/84/25/27/388842527.db2.gz FOHMKEYMQWAYOY-OLZOCXBDSA-N 1 0 238.281 2.296 40 0 BEABRO Fc1ccc(N2CC[NH2+][C@@H]3CCC[C@@H]32)c(F)c1 ZINC000225717690 388843078 /nfs/dbraw/zinc/84/30/78/388843078.db2.gz DDGNWRZUMOVSQJ-YPMHNXCESA-N 1 0 238.281 2.296 40 0 BEABRO Cc1cc(-c2cc([C@H]3CCC[NH2+]3)ccn2)n[nH]1 ZINC000257228455 177683119 /nfs/dbraw/zinc/68/31/19/177683119.db2.gz FTXRIQFEULMSJH-LLVKDONJSA-N 1 0 228.299 2.205 40 0 BEABRO C[C@H]1C[NH2+]CCN1c1ccc(Cl)cc1 ZINC000001627133 132314160 /nfs/dbraw/zinc/31/41/60/132314160.db2.gz YOOLKLKIUUTLFC-VIFPVBQESA-N 1 0 210.708 2.138 40 0 BEABRO c1ccc(N2CCC3(CC[NH2+]CC3)CC2)nc1 ZINC000004238135 132316349 /nfs/dbraw/zinc/31/63/49/132316349.db2.gz WAXJEURRWLTWEC-UHFFFAOYSA-N 1 0 231.343 2.052 40 0 BEABRO Cc1ccccc1N1[C@H](C)C[NH2+]C[C@@H]1C ZINC000011632597 132319959 /nfs/dbraw/zinc/31/99/59/132319959.db2.gz NDHVNJMTOCZUEU-TXEJJXNPSA-N 1 0 204.317 2.182 40 0 BEABRO Cc1ccc(Cl)cc1N1CC[NH+](C)CC1 ZINC000060313069 132368825 /nfs/dbraw/zinc/36/88/25/132368825.db2.gz CZDNHHVXXDEHKO-UHFFFAOYSA-N 1 0 224.735 2.400 40 0 BEABRO CC(=O)N1CCC2(CC[NH2+]CC2)c2ccccc21 ZINC000066349238 132389951 /nfs/dbraw/zinc/38/99/51/132389951.db2.gz GTNLOWPGCKMFSM-UHFFFAOYSA-N 1 0 244.338 2.064 40 0 BEABRO c1cc([C@H]2CCCN(c3cc[nH+]cc3)C2)ncn1 ZINC000072356919 132396247 /nfs/dbraw/zinc/39/62/47/132396247.db2.gz HBPOAXMXQSQZTN-LBPRGKRZSA-N 1 0 240.310 2.256 40 0 BEABRO CC1CCN(c2cncc([C@H]3CCC[NH2+]3)n2)CC1 ZINC000072386515 132397104 /nfs/dbraw/zinc/39/71/04/132397104.db2.gz YHFWHEYQAPZVJG-GFCCVEGCSA-N 1 0 246.358 2.137 40 0 BEABRO Cc1ccc(C)c(CN2CCC[C@H]([NH3+])C2)c1 ZINC000038539882 398013386 /nfs/dbraw/zinc/01/33/86/398013386.db2.gz OCNPVWVNUJIZCQ-AWEZNQCLSA-N 1 0 218.344 2.227 40 0 BEABRO CCC[C@@H]1[NH2+]CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000034781549 398015173 /nfs/dbraw/zinc/01/51/73/398015173.db2.gz OEBUSDBRXUSYID-MNOVXSKESA-N 1 0 242.363 2.384 40 0 BEABRO CCC[C@@H]1[NH2+]CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000034781546 398015491 /nfs/dbraw/zinc/01/54/91/398015491.db2.gz OEBUSDBRXUSYID-QWRGUYRKSA-N 1 0 242.363 2.384 40 0 BEABRO CCCC[NH2+]Cc1cnn(CC(F)F)c1C ZINC000256049743 398040568 /nfs/dbraw/zinc/04/05/68/398040568.db2.gz BGAGYZGBXGJSBG-UHFFFAOYSA-N 1 0 231.290 2.346 40 0 BEABRO CCCOc1ccc(OC)cc1C[NH2+]C ZINC000034655745 398078251 /nfs/dbraw/zinc/07/82/51/398078251.db2.gz SGWBGBVBXRKCGE-UHFFFAOYSA-N 1 0 209.289 2.203 40 0 BEABRO CCNc1ncc(C[NH2+]Cc2ccccc2)cn1 ZINC000062717511 398055870 /nfs/dbraw/zinc/05/58/70/398055870.db2.gz QHPCWRNOQMVNJW-UHFFFAOYSA-N 1 0 242.326 2.198 40 0 BEABRO [NH3+][C@@H]1C[C@@]12CCOc1ccc(Cl)cc12 ZINC000218685958 398101955 /nfs/dbraw/zinc/10/19/55/398101955.db2.gz LVIJXJAIZQYJOP-GHMZBOCLSA-N 1 0 209.676 2.091 40 0 BEABRO [NH3+][C@H]1CCCC[C@H]1NCc1ccccc1F ZINC000072411137 410028588 /nfs/dbraw/zinc/02/85/88/410028588.db2.gz BSEBPYRQKRQSIO-QWHCGFSZSA-N 1 0 222.307 2.185 40 0 BEABRO Brc1ccc2c(c1)[C@]1(CC[NH2+]1)CO2 ZINC000306145657 166099124 /nfs/dbraw/zinc/09/91/24/166099124.db2.gz MGUDYPAFNSTDTI-JTQLQIEISA-N 1 0 240.100 2.030 40 0 BEABRO CC(C)[NH2+]C[C@H](O)COc1ccccc1C1CC1 ZINC000001567464 167114572 /nfs/dbraw/zinc/11/45/72/167114572.db2.gz RTAGQMIEWAAKMO-ZDUSSCGKSA-N 1 0 249.354 2.302 40 0 in-man BEABRO CC(C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000043323671 167140180 /nfs/dbraw/zinc/14/01/80/167140180.db2.gz LFTQRMKZAXONPV-NSHDSACASA-N 1 0 242.363 2.384 40 0 BEABRO CC(C)[C@@H]([NH3+])c1nnc(-c2cccc(F)c2)[nH]1 ZINC000095534789 167422135 /nfs/dbraw/zinc/42/21/35/167422135.db2.gz XUFLMQFHJHQEFO-SNVBAGLBSA-N 1 0 234.278 2.267 40 0 BEABRO Cc1cn2cc(C(F)(F)F)cc(N)c2n1 ZINC000074536362 411206367 /nfs/dbraw/zinc/20/63/67/411206367.db2.gz AXVADFBNMTVRBO-UHFFFAOYSA-N 1 0 215.178 2.244 40 0 BEABRO Cc1c(-c2ccc(F)cc2)[nH+]c(N)n1C ZINC000199560707 411208125 /nfs/dbraw/zinc/20/81/25/411208125.db2.gz JFBPPBTZSQPUPT-UHFFFAOYSA-N 1 0 205.236 2.117 40 0 BEABRO CCCNc1ncc(C[NH2+]CCC(C)C)cn1 ZINC000062717721 411290910 /nfs/dbraw/zinc/29/09/10/411290910.db2.gz SOVOMMIHORZUMA-UHFFFAOYSA-N 1 0 236.363 2.434 40 0 BEABRO CC1(C)CC(CCOC=O)CC(C)(C)[NH2+]1 ZINC000078502880 167887682 /nfs/dbraw/zinc/88/76/82/167887682.db2.gz YDWDWFNEINAUNH-UHFFFAOYSA-N 1 0 213.321 2.106 40 0 BEABRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCC[S@](C)=O ZINC000152586090 168102302 /nfs/dbraw/zinc/10/23/02/168102302.db2.gz HWQPBNPAKZEJAL-DVOMOZLQSA-N 1 0 243.416 2.337 40 0 BEABRO CCNc1cc(C2CC2)[nH+]c(NC(C)(C)C)n1 ZINC000329064381 170041548 /nfs/dbraw/zinc/04/15/48/170041548.db2.gz XJQIQGNJVVQOPN-UHFFFAOYSA-N 1 0 234.347 2.418 40 0 BEABRO CCNC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000217526639 170099646 /nfs/dbraw/zinc/09/96/46/170099646.db2.gz BHTAVLZTAFSIHV-UONOGXRCSA-N 1 0 246.354 2.048 40 0 BEABRO CC[NH2+]Cc1cnn(CC2CC(C)C2)c1 ZINC000096509124 170130335 /nfs/dbraw/zinc/13/03/35/170130335.db2.gz JDSWZIFDHYXJIR-UHFFFAOYSA-N 1 0 207.321 2.039 40 0 BEABRO CC[NH2+][C@@H](C)C(=O)c1cccc(C)c1C ZINC000299817222 170139270 /nfs/dbraw/zinc/13/92/70/170139270.db2.gz MXBQQSYOKGUCTH-NSHDSACASA-N 1 0 205.301 2.484 40 0 in-vitro BEABRO CCOC(=O)[C@H](C)[NH+]1CCCCCCC1 ZINC000001593278 170266350 /nfs/dbraw/zinc/26/63/50/170266350.db2.gz SONFEJOFNQXGFB-NSHDSACASA-N 1 0 213.321 2.204 40 0 BEABRO CCOCCC[NH2+]Cc1cnn(C(C)C)c1C ZINC000256052390 170381727 /nfs/dbraw/zinc/38/17/27/170381727.db2.gz NDGCIEOEJOJILQ-UHFFFAOYSA-N 1 0 239.363 2.289 40 0 BEABRO CC[C@@H](C[NH3+])n1nc(C)c(Cl)c1C ZINC000012398193 170823326 /nfs/dbraw/zinc/82/33/26/170823326.db2.gz RZDSLZVVZSCLAD-QMMMGPOBSA-N 1 0 201.701 2.063 40 0 BEABRO CC[C@@H]1CSC2=N[C@@H](c3ccccn3)CN21 ZINC000222639240 171114012 /nfs/dbraw/zinc/11/40/12/171114012.db2.gz UYNCEWGAJVXHGO-MWLCHTKSSA-N 1 0 233.340 2.320 40 0 BEABRO CC[C@@H]1[NH2+]CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000216536438 171146076 /nfs/dbraw/zinc/14/60/76/171146076.db2.gz HTUWJVPCNGAXBL-IHRRRGAJSA-N 1 0 219.328 2.498 40 0 BEABRO CC[C@@H]1[NH2+][C@H]1CCOCc1ccccc1 ZINC000169804293 171150174 /nfs/dbraw/zinc/15/01/74/171150174.db2.gz XYJHFZOMTQYRAI-STQMWFEESA-N 1 0 205.301 2.344 40 0 BEABRO CCn1c(C)ccc1C[NH2+]C[C@H]1CCCO1 ZINC000226019149 172138120 /nfs/dbraw/zinc/13/81/20/172138120.db2.gz AALKKSJWLGARNS-CYBMUJFWSA-N 1 0 222.332 2.085 40 0 BEABRO CCn1c2ccccc2nc1O[C@H]1CCC[NH2+]C1 ZINC000043220241 172145815 /nfs/dbraw/zinc/14/58/15/172145815.db2.gz MPKFDKZDHSELRA-NSHDSACASA-N 1 0 245.326 2.187 40 0 BEABRO CCn1ncc(C[NH2+]CCc2ccccc2)c1F ZINC000256054654 172255291 /nfs/dbraw/zinc/25/52/91/172255291.db2.gz XFCCWVNOGZJLCD-UHFFFAOYSA-N 1 0 247.317 2.374 40 0 BEABRO CN(C)C(=[NH2+])SCC(=O)c1ccccc1 ZINC000238295880 172353242 /nfs/dbraw/zinc/35/32/42/172353242.db2.gz KDOPQLQDURBZIQ-UHFFFAOYSA-N 1 0 222.313 2.099 40 0 BEABRO C[N@@H+]1CCC[C@@H](c2cccc3nccn32)C1 ZINC000257326719 173021933 /nfs/dbraw/zinc/02/19/33/173021933.db2.gz WYHSVWHQSPTQPP-LLVKDONJSA-N 1 0 215.300 2.144 40 0 BEABRO C[N@@H+]1CCC[C@H](C(=O)NC2CCCCCC2)C1 ZINC000082317352 173038084 /nfs/dbraw/zinc/03/80/84/173038084.db2.gz KUIQQBKDGDLPQQ-LBPRGKRZSA-N 1 0 238.375 2.167 40 0 BEABRO C[N@@H+]1CCC[C@H](Cc2nccnc2Cl)C1 ZINC000072363343 173042922 /nfs/dbraw/zinc/04/29/22/173042922.db2.gz IBLDKRUXJUEPSM-SECBINFHSA-N 1 0 225.723 2.014 40 0 BEABRO C[N@H+]1[C@@H]2CC[C@H]1CC1(C2)SCCS1 ZINC000001720345 173206573 /nfs/dbraw/zinc/20/65/73/173206573.db2.gz VKSXHWATSCYZAH-DTORHVGOSA-N 1 0 215.387 2.419 40 0 BEABRO C[NH2+]CCCNc1ccnc2c(F)cccc12 ZINC000222678299 173349738 /nfs/dbraw/zinc/34/97/38/173349738.db2.gz IDOHQOZHTQHTTG-UHFFFAOYSA-N 1 0 233.290 2.395 40 0 BEABRO C[NH2+]CC[C@@H](CCO)c1ccc(C)cc1 ZINC000217800064 173358434 /nfs/dbraw/zinc/35/84/34/173358434.db2.gz CVHZNJLZMGPNGX-ZDUSSCGKSA-N 1 0 207.317 2.071 40 0 BEABRO C[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000033961909 173366917 /nfs/dbraw/zinc/36/69/17/173366917.db2.gz OMJZRIGOKXUQEC-AWEZNQCLSA-N 1 0 218.344 2.261 40 0 BEABRO C[NH2+]C[C@@H]1C[C@@H]1c1ccc(N(C)C)cc1 ZINC000054588463 173371982 /nfs/dbraw/zinc/37/19/82/173371982.db2.gz GBFQCYNTWBMCGP-WCQYABFASA-N 1 0 204.317 2.076 40 0 BEABRO C[NH2+]C[C@H]1C[C@H]1c1cccc(OC)c1OC ZINC000054588722 173383512 /nfs/dbraw/zinc/38/35/12/173383512.db2.gz VGQQRYRFCGMFFP-MWLCHTKSSA-N 1 0 221.300 2.027 40 0 BEABRO C[NH2+]Cc1cc(-c2ccc(F)cc2)no1 ZINC000035655521 173385341 /nfs/dbraw/zinc/38/53/41/173385341.db2.gz RUSSAIUOPGIYCW-UHFFFAOYSA-N 1 0 206.220 2.200 40 0 BEABRO C[NH2+]Cc1cc(-c2ccc(OC)cc2)on1 ZINC000035655533 173386322 /nfs/dbraw/zinc/38/63/22/173386322.db2.gz PTKVMTKOSPDJEV-UHFFFAOYSA-N 1 0 218.256 2.070 40 0 BEABRO C[NH2+]Cc1ccc(OCC(C)C)c(OC)c1 ZINC000034652328 173389102 /nfs/dbraw/zinc/38/91/02/173389102.db2.gz MDVQGSHMAMWQKA-UHFFFAOYSA-N 1 0 223.316 2.449 40 0 BEABRO C[NH2+]Cc1cccn1-c1ccc(OC)cc1 ZINC000078582580 173390208 /nfs/dbraw/zinc/39/02/08/173390208.db2.gz VQCQVBSFSHLQAZ-UHFFFAOYSA-N 1 0 216.284 2.205 40 0 BEABRO COCC[NH2+]Cc1cn(C2CCCC2)nc1C ZINC000080076709 174335712 /nfs/dbraw/zinc/33/57/12/174335712.db2.gz ACKDTEHIRXTAIT-UHFFFAOYSA-N 1 0 237.347 2.043 40 0 BEABRO COc1cc2ccc(CC[NH3+])cc2cc1OC ZINC000001728977 175027320 /nfs/dbraw/zinc/02/73/20/175027320.db2.gz XXZYDGAHBFPCSZ-UHFFFAOYSA-N 1 0 231.295 2.358 40 0 BEABRO COc1cc2[nH+]c(C)cc(N)c2cc1OC ZINC000050870076 175027992 /nfs/dbraw/zinc/02/79/92/175027992.db2.gz QDKFZHPCBZJSQK-UHFFFAOYSA-N 1 0 218.256 2.143 40 0 BEABRO COc1ccc(-c2csc(C[NH3+])n2)cc1 ZINC000003709632 175038132 /nfs/dbraw/zinc/03/81/32/175038132.db2.gz FXYCGCXTHCHQNI-UHFFFAOYSA-N 1 0 220.297 2.277 40 0 BEABRO COc1ccc(/C=C/c2cc[n+](C)cc2)c(O)c1 ZINC000005002261 175047957 /nfs/dbraw/zinc/04/79/57/175047957.db2.gz YPRZVCQLMWVCBU-UHFFFAOYSA-O 1 0 242.298 2.396 40 0 BEABRO COc1ccc(C[NH2+]Cc2cn(C)nc2C)cc1 ZINC000002536050 175108091 /nfs/dbraw/zinc/10/80/91/175108091.db2.gz QTOWXMDBGVAMFO-UHFFFAOYSA-N 1 0 245.326 2.027 40 0 BEABRO COc1ccc([C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000038539190 175182532 /nfs/dbraw/zinc/18/25/32/175182532.db2.gz QUFJICMSLHNMEG-SECBINFHSA-N 1 0 209.264 2.301 40 0 BEABRO COc1ccc([C@@H]2C[NH2+]CCN2C(C)C)cc1 ZINC000077369923 175184040 /nfs/dbraw/zinc/18/40/40/175184040.db2.gz DKBLZPOXUPBSLH-AWEZNQCLSA-N 1 0 234.343 2.050 40 0 BEABRO COc1cccc(N[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000218858297 175279925 /nfs/dbraw/zinc/27/99/25/175279925.db2.gz INOKVFDNRAAAPG-CHWSQXEVSA-N 1 0 220.316 2.377 40 0 BEABRO COc1cccc(OC)c1[C@@H]1CCC[NH2+]1 ZINC000003732289 175282469 /nfs/dbraw/zinc/28/24/69/175282469.db2.gz ZPZQQZBQBVNECV-VIFPVBQESA-N 1 0 207.273 2.128 40 0 BEABRO COc1cccc([C@@]2(O)CCCC[C@H]2C[NH3+])c1 ZINC000021986241 175291779 /nfs/dbraw/zinc/29/17/79/175291779.db2.gz QNPPIKMBCJUUTG-JSGCOSHPSA-N 1 0 235.327 2.032 40 0 BEABRO COc1cccc([C@H](C[NH3+])OC(C)C)c1 ZINC000043030102 175294203 /nfs/dbraw/zinc/29/42/03/175294203.db2.gz GSAAQNXSOJUTIG-LBPRGKRZSA-N 1 0 209.289 2.120 40 0 BEABRO COc1ccccc1-c1n[nH]c([C@@H]([NH3+])C(C)C)n1 ZINC000095534762 175310532 /nfs/dbraw/zinc/31/05/32/175310532.db2.gz KMQBTGFOKOAMAJ-NSHDSACASA-N 1 0 246.314 2.136 40 0 BEABRO C[C@@H](C[NH3+])Cc1ccccc1OC(F)F ZINC000089262703 175708802 /nfs/dbraw/zinc/70/88/02/175708802.db2.gz HZAIRVONBVDNNZ-MRVPVSSYSA-N 1 0 215.243 2.425 40 0 BEABRO C[C@@H]([C@H](O)c1ccccc1)[n+]1ccccc1 ZINC000001712267 176012248 /nfs/dbraw/zinc/01/22/48/176012248.db2.gz YFPQJXQDJMCHQA-JSGCOSHPSA-N 1 0 214.288 2.269 40 0 BEABRO C[C@H](C[NH3+])Cc1cccc(OC(F)F)c1 ZINC000089262722 176660028 /nfs/dbraw/zinc/66/00/28/176660028.db2.gz DOVAKENMPXSWAP-QMMMGPOBSA-N 1 0 215.243 2.425 40 0 BEABRO C[C@H]1CC[C@@H]([NH2+]C[C@@]2(O)CCSC2)[C@@H](C)C1 ZINC000195560715 177193596 /nfs/dbraw/zinc/19/35/96/177193596.db2.gz UOVYKBYSDHCBEG-RVMXOQNASA-N 1 0 243.416 2.269 40 0 BEABRO C[C@@H](CC(=O)N1CC[NH2+][C@@H](C)C1)CC(C)(C)C ZINC000071978900 177217303 /nfs/dbraw/zinc/21/73/03/177217303.db2.gz MAIZCWMVHAYQEK-RYUDHWBXSA-N 1 0 240.391 2.269 40 0 BEABRO C[C@@H](c1ccccc1)N1CC[NH2+]C[C@@H]1C ZINC000041213213 177284589 /nfs/dbraw/zinc/28/45/89/177284589.db2.gz OPHHITNORRLRPQ-RYUDHWBXSA-N 1 0 204.317 2.041 40 0 BEABRO C[C@H]1C[C@@H]2CC[N@H+](Cc3ccoc3)C[C@H]2O1 ZINC000096062526 177352479 /nfs/dbraw/zinc/35/24/79/177352479.db2.gz IVWWGXWOTVFSCP-WCFLWFBJSA-N 1 0 221.300 2.279 40 0 BEABRO C[C@H]1C[C@@H]2CC[N@H+](Cc3ccco3)C[C@H]2O1 ZINC000096062524 177352717 /nfs/dbraw/zinc/35/27/17/177352717.db2.gz JCOZIKHHYQOZHA-GMXVVIOVSA-N 1 0 221.300 2.279 40 0 BEABRO C[C@@H]1CC[C@@H]([NH2+]C[C@@]2(O)CCSC2)[C@@H](C)C1 ZINC000195560713 177356632 /nfs/dbraw/zinc/35/66/32/177356632.db2.gz UOVYKBYSDHCBEG-XQHKEYJVSA-N 1 0 243.416 2.269 40 0 BEABRO C[C@@H]1C[NH2+][C@@H](C)C[C@@H]1OC(=O)c1ccccc1 ZINC000005723448 177374434 /nfs/dbraw/zinc/37/44/34/177374434.db2.gz FKYVJLAHWSGDPJ-MDZLAQPJSA-N 1 0 233.311 2.230 40 0 BEABRO C[C@H]1C[C@H]2C[N@H+](Cc3ccccn3)CC[C@@H]2O1 ZINC000096045896 177387448 /nfs/dbraw/zinc/38/74/48/177387448.db2.gz YJUILXHWEKGUKU-OBJOEFQTSA-N 1 0 232.327 2.081 40 0 BEABRO C[C@H]1Cc2cc(C(=O)CC[NH+](C)C)ccc2O1 ZINC000005534413 177388918 /nfs/dbraw/zinc/38/89/18/177388918.db2.gz VBYSKZXLNUGJFA-JTQLQIEISA-N 1 0 233.311 2.144 40 0 BEABRO CC[C@@H]([NH3+])[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000072208943 262722082 /nfs/dbraw/zinc/72/20/82/262722082.db2.gz ITYCDWJGFHHPIF-NXEZZACHSA-N 1 0 230.352 2.273 40 0 BEABRO Clc1cccc(CNC[C@@H]2CCC[NH2+]2)c1 ZINC000072202836 487994386 /nfs/dbraw/zinc/99/43/86/487994386.db2.gz PMTRXXSTDJNHED-LBPRGKRZSA-N 1 0 224.735 2.182 40 0 BEABRO CCCCCNC(=O)CC1CC[NH+](C)CC1 ZINC000074920973 520189970 /nfs/dbraw/zinc/18/99/70/520189970.db2.gz IKZBJBCWDFWFFM-UHFFFAOYSA-N 1 0 226.364 2.025 40 0 BEABRO Brc1csc2c1CC[NH2+]C2 ZINC000237973888 518237728 /nfs/dbraw/zinc/23/77/28/518237728.db2.gz ZFYOLSSGMWTLBL-UHFFFAOYSA-N 1 0 218.119 2.156 40 0 BEABRO CC[NH+](CC)CCCNCc1ccc(C)o1 ZINC000019942839 520622239 /nfs/dbraw/zinc/62/22/39/520622239.db2.gz LGZDCSIEZDTGMC-UHFFFAOYSA-N 1 0 224.348 2.410 40 0 BEABRO Cc1cccc2c(C)cc(N(C)N)[nH+]c12 ZINC000199550426 524928985 /nfs/dbraw/zinc/92/89/85/524928985.db2.gz OSRPHZCYJCTPDT-UHFFFAOYSA-N 1 0 201.273 2.162 40 0 BEABRO C[C@H]1[NH2+]Cc2cc(Br)cnc21 ZINC000228965710 525013418 /nfs/dbraw/zinc/01/34/18/525013418.db2.gz YNDLMIJKIYOBET-RXMQYKEDSA-N 1 0 213.078 2.008 40 0 BEABRO C[C@@H]1C[C@H]2[C@H](C[C@H](C(F)(F)F)C[C@H]2C[NH3+])O1 ZINC000242495142 525512885 /nfs/dbraw/zinc/51/28/85/525512885.db2.gz FWJZILYJODZJNY-ZOZBQHSOSA-N 1 0 237.265 2.327 40 0 BEABRO C[C@@H]1[C@H]2[C@@H](C[C@H](C(F)(F)F)C[C@@H]2[NH3+])O[C@H]1C ZINC000242463393 525716910 /nfs/dbraw/zinc/71/69/10/525716910.db2.gz CZVKMVVAGFXBBQ-ZPASOGBRSA-N 1 0 237.265 2.326 40 0 BEABRO [NH2+]=C(Cc1cccc(C(F)(F)F)c1F)NO ZINC000228915011 526816029 /nfs/dbraw/zinc/81/60/29/526816029.db2.gz SGLAKLXJPNUTSY-UHFFFAOYSA-N 1 0 236.168 2.343 40 0 BEABRO [NH2+]=C(Cc1ccc(F)cc1C(F)(F)F)NO ZINC000228914727 526816464 /nfs/dbraw/zinc/81/64/64/526816464.db2.gz QWVMVKGWHFEYEL-UHFFFAOYSA-N 1 0 236.168 2.343 40 0 BEABRO CN1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000034453826 1167574117 /nfs/dbraw/zinc/57/41/17/1167574117.db2.gz OUPOBONEBFRSPF-CABCVRRESA-N 1 0 230.355 2.213 40 0 BEABRO CC(C)C[NH+]1CC(c2[nH]nc3ncccc32)C1 ZINC000072361126 343980032 /nfs/dbraw/zinc/98/00/32/343980032.db2.gz ONJRFMRWWYCQHV-UHFFFAOYSA-N 1 0 230.315 2.013 40 0 BEABRO Cc1cc(Cl)ccc1OCC1C[NH2+]C1 ZINC000038580789 178068575 /nfs/dbraw/zinc/06/85/75/178068575.db2.gz BXMRLOMFDMJZNO-UHFFFAOYSA-N 1 0 211.692 2.247 40 0 BEABRO Cc1cc(F)cc(CN2CCC([NH3+])CC2)c1 ZINC000067801083 178076415 /nfs/dbraw/zinc/07/64/15/178076415.db2.gz JWAHFSRGGRLATO-UHFFFAOYSA-N 1 0 222.307 2.057 40 0 BEABRO CC(C)C[C@]1(O)CC[NH2+]C[C@@H]1Oc1ccccc1 ZINC000257242222 187331076 /nfs/dbraw/zinc/33/10/76/187331076.db2.gz IBOPEAXBYROHAC-LSDHHAIUSA-N 1 0 249.354 2.205 40 0 BEABRO Cc1cc(OCC(N)=[NH2+])cc(C)c1Cl ZINC000057403661 178207675 /nfs/dbraw/zinc/20/76/75/178207675.db2.gz CTFKXAAGUZPEEY-UHFFFAOYSA-N 1 0 212.680 2.272 40 0 BEABRO CCC(CC)CN1CC[C@@]12CCC[NH2+]C2 ZINC000096050986 168353340 /nfs/dbraw/zinc/35/33/40/168353340.db2.gz SLNLOWMOGGDALQ-CYBMUJFWSA-N 1 0 210.365 2.251 40 0 BEABRO Cc1ccc(-c2cc(CC[NH3+])no2)cc1C ZINC000020270377 178320459 /nfs/dbraw/zinc/32/04/59/178320459.db2.gz KNJNHQLFHNPFDL-UHFFFAOYSA-N 1 0 216.284 2.460 40 0 BEABRO [NH3+]Cc1nccc2c(Br)cccc21 ZINC000072206997 259314656 /nfs/dbraw/zinc/31/46/56/259314656.db2.gz YVJNZRQLCWGCEO-UHFFFAOYSA-N 1 0 237.100 2.456 40 0 BEABRO C[C@@H](CC(=O)Nc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000072208204 259315292 /nfs/dbraw/zinc/31/52/92/259315292.db2.gz VFKXYTDTXIIOOX-AAEUAGOBSA-N 1 0 232.327 2.403 40 0 BEABRO CCOC(=O)C[C@@H]([NH2+]C)c1ccc(F)cc1 ZINC000072210279 259316474 /nfs/dbraw/zinc/31/64/74/259316474.db2.gz HOSWPHPJGUPZOJ-LLVKDONJSA-N 1 0 225.263 2.039 40 0 BEABRO Cc1ccc(C2CC2)c(OCC2=[NH+]CCN2)c1 ZINC000000001151 342669424 /nfs/dbraw/zinc/66/94/24/342669424.db2.gz JJFSSNDOOJCPLD-UHFFFAOYSA-N 1 0 230.311 2.253 40 0 in-man BEABRO CNc1ncccc1[C@@H]1CCCC[N@@H+]1C ZINC000072212550 259317211 /nfs/dbraw/zinc/31/72/11/259317211.db2.gz HMFOOENVYROYNF-NSHDSACASA-N 1 0 205.305 2.280 40 0 BEABRO C[C@@H](C[NH+](C)C)Oc1ccc2c(c1)C(=O)[C@@H](C)C2 ZINC000001675078 342708320 /nfs/dbraw/zinc/70/83/20/342708320.db2.gz NWMZWVSNWLBQCA-QWRGUYRKSA-N 1 0 247.338 2.390 40 0 BEABRO C[NH+](C)Cc1ccccc1CC(C)(C)O ZINC000001693776 342709727 /nfs/dbraw/zinc/70/97/27/342709727.db2.gz BIGJCQVKHFYTKC-UHFFFAOYSA-N 1 0 207.317 2.062 40 0 BEABRO O=C(OC12CC[NH+](CC1)CC2)c1ccccc1 ZINC000001716924 342711009 /nfs/dbraw/zinc/71/10/09/342711009.db2.gz LNPJWSQKDLVLHE-UHFFFAOYSA-N 1 0 231.295 2.082 40 0 BEABRO CCOc1cc[n+](C)c2ccc(C)cc12 ZINC000001733145 342711531 /nfs/dbraw/zinc/71/15/31/342711531.db2.gz XGHCXISAWSYAJJ-UHFFFAOYSA-N 1 0 202.277 2.371 40 0 BEABRO CCCO[C@@H](C)c1ccc([C@H]([NH3+])CO)cc1 ZINC000072220199 259319040 /nfs/dbraw/zinc/31/90/40/259319040.db2.gz DFXQALFMJDURLV-GXFFZTMASA-N 1 0 223.316 2.166 40 0 BEABRO Cc1cc([C@@H]([NH3+])c2ccccc2)c[nH]c1=O ZINC000072222724 259320608 /nfs/dbraw/zinc/32/06/08/259320608.db2.gz YZDDVINNUUKRHQ-LBPRGKRZSA-N 1 0 214.268 2.144 40 0 BEABRO CO[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043022366 342785988 /nfs/dbraw/zinc/78/59/88/342785988.db2.gz CNINIIWEUVZROX-VIFPVBQESA-N 1 0 230.105 2.095 40 0 BEABRO CC[C@@H]([NH3+])c1cnc(N(C)CC)c(C)c1 ZINC000072222207 259319990 /nfs/dbraw/zinc/31/99/90/259319990.db2.gz AFYURQCSXRWFML-LLVKDONJSA-N 1 0 207.321 2.256 40 0 BEABRO Cc1ccc(CN(C)[C@H]2CCC[NH2+]C2)cc1 ZINC000043501380 342795778 /nfs/dbraw/zinc/79/57/78/342795778.db2.gz PNBAOBFIECCROI-AWEZNQCLSA-N 1 0 218.344 2.179 40 0 BEABRO CNc1ncc([C@@H]([NH3+])c2ccccc2)cc1C ZINC000072222028 259320150 /nfs/dbraw/zinc/32/01/50/259320150.db2.gz SODZQLXOGCIWCJ-ZDUSSCGKSA-N 1 0 227.311 2.480 40 0 BEABRO Cc1cc(Br)ncc1[C@H](C)[NH3+] ZINC000072222959 259320931 /nfs/dbraw/zinc/32/09/31/259320931.db2.gz GNZUOBDXTRYTDP-LURJTMIESA-N 1 0 215.094 2.172 40 0 BEABRO Cc1cc(N(C)Cc2ccccc2)ncc1C[NH3+] ZINC000072223391 259321471 /nfs/dbraw/zinc/32/14/71/259321471.db2.gz BCRLGSJCZIVNQE-UHFFFAOYSA-N 1 0 241.338 2.485 40 0 BEABRO Cc1cc(=O)[nH]cc1[C@H]([NH3+])c1ccccc1 ZINC000072223767 259321527 /nfs/dbraw/zinc/32/15/27/259321527.db2.gz NZALABKEVQOPQX-CYBMUJFWSA-N 1 0 214.268 2.144 40 0 BEABRO C[n+]1ccc(/C=C\c2ccc3c(c2)OCO3)cc1 ZINC000016920076 342917114 /nfs/dbraw/zinc/91/71/14/342917114.db2.gz LJLSLTZSSJRLMY-IHWYPQMZSA-N 1 0 240.282 2.410 40 0 BEABRO C[NH2+][C@H](C)[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000072207621 259332661 /nfs/dbraw/zinc/33/26/61/259332661.db2.gz MHIYDVMZQYMYAT-NXEZZACHSA-N 1 0 230.352 2.144 40 0 BEABRO Cc1ccc(C)c2nc3c(cc12)C[NH2+]CCO3 ZINC000019134716 342942410 /nfs/dbraw/zinc/94/24/10/342942410.db2.gz IMLPUGPNFHYSON-UHFFFAOYSA-N 1 0 228.295 2.334 40 0 BEABRO C/C=C/[C@H]1[NH2+]CCc2cc(OC)c(OC)cc21 ZINC000022113451 343039949 /nfs/dbraw/zinc/03/99/49/343039949.db2.gz UOCYGISMICKYAI-ZYOFXKKJSA-N 1 0 233.311 2.467 40 0 BEABRO Cc1cc(-n2cccn2)c2cccc(O)c2[nH+]1 ZINC000021984891 343032122 /nfs/dbraw/zinc/03/21/22/343032122.db2.gz CGFXFJLDDGWLRC-UHFFFAOYSA-N 1 0 225.251 2.435 40 0 BEABRO CCN(CC)CC[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1 ZINC000022591839 343052311 /nfs/dbraw/zinc/05/23/11/343052311.db2.gz CICDOJLASYRIJX-NMWPEEMBSA-N 1 0 234.387 2.082 40 0 BEABRO COC(=O)[C@H](C)C[NH2+]C1CCCCCC1 ZINC000035133592 343286432 /nfs/dbraw/zinc/28/64/32/343286432.db2.gz BOGWZQMKEBIJOE-SNVBAGLBSA-N 1 0 213.321 2.108 40 0 BEABRO Cc1ccc(NC(=O)[C@@H]([NH3+])C(C)C)c(F)c1 ZINC000020372553 343277585 /nfs/dbraw/zinc/27/75/85/343277585.db2.gz QTKPVFFJKQSPKV-NSHDSACASA-N 1 0 224.279 2.056 40 0 BEABRO C[C@H](CC(=O)N1CCC[NH2+]CC1)CC(C)(C)C ZINC000036889235 343326305 /nfs/dbraw/zinc/32/63/05/343326305.db2.gz GEAOAXXILQQRHM-GFCCVEGCSA-N 1 0 240.391 2.271 40 0 BEABRO CC(C)[N@@H+]1CC[C@@H](Nc2ccnc(Cl)n2)C1 ZINC000038579681 187255437 /nfs/dbraw/zinc/25/54/37/187255437.db2.gz ZRRCHVQXBQFVQU-SECBINFHSA-N 1 0 240.738 2.025 40 0 BEABRO [NH3+]CCc1ccc(O[C@@H]2CCCCO2)cc1 ZINC000044371782 349804156 /nfs/dbraw/zinc/80/41/56/349804156.db2.gz IKOLRHUUOFOGAM-CYBMUJFWSA-N 1 0 221.300 2.093 40 0 BEABRO Cc1c(F)cccc1CN1CCC([NH3+])CC1 ZINC000034510882 187257000 /nfs/dbraw/zinc/25/70/00/187257000.db2.gz GUYUAUJPZKSXRC-UHFFFAOYSA-N 1 0 222.307 2.057 40 0 BEABRO Fc1cc(CN2CCC[NH2+]CC2)ccc1Cl ZINC000043391264 343469124 /nfs/dbraw/zinc/46/91/24/343469124.db2.gz FJVREBRUSVKEAP-UHFFFAOYSA-N 1 0 242.725 2.274 40 0 BEABRO CC(C)[C@H](C)[NH2+]CCC(=O)OC(C)(C)C ZINC000047218968 343559126 /nfs/dbraw/zinc/55/91/26/343559126.db2.gz WUBNFVTVTRIVDK-JTQLQIEISA-N 1 0 215.337 2.352 40 0 BEABRO CC(C)(C)OC(=O)NCc1ccccc1C[NH3+] ZINC000047844195 343566975 /nfs/dbraw/zinc/56/69/75/343566975.db2.gz GUYQLFMVQPGMOE-UHFFFAOYSA-N 1 0 236.315 2.170 40 0 BEABRO [NH3+]C12CCC(Br)(CC1)CC2 ZINC000238609817 343588686 /nfs/dbraw/zinc/58/86/86/343588686.db2.gz GNXYUEGYYQSBKU-UHFFFAOYSA-N 1 0 204.111 2.185 40 0 BEABRO CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000052527961 187271152 /nfs/dbraw/zinc/27/11/52/187271152.db2.gz QYDAHHJLOFUTEX-UHFFFAOYSA-N 1 0 246.354 2.309 40 0 BEABRO [NH3+][C@H]1COc2c(Cl)cc(Cl)cc2C1 ZINC000016083042 344287282 /nfs/dbraw/zinc/28/72/82/344287282.db2.gz GXCBWMMYGZXYSB-SSDOTTSWSA-N 1 0 218.083 2.256 40 0 BEABRO Cc1cc([C@H]2CCC[N@H+]2C(C)C)c[nH]c1=O ZINC000072217958 344514006 /nfs/dbraw/zinc/51/40/06/344514006.db2.gz AMQQYOSDFVKWKU-GFCCVEGCSA-N 1 0 220.316 2.229 40 0 BEABRO CCN(C(=O)C[NH+]1CCCC1)c1ccccc1 ZINC000047080883 344579275 /nfs/dbraw/zinc/57/92/75/344579275.db2.gz HDNMEZVLKNZXJS-UHFFFAOYSA-N 1 0 232.327 2.135 40 0 BEABRO Cc1cccc(C[N@@H+]2CCC[C@@H](O)C2)c1F ZINC000038539595 179073655 /nfs/dbraw/zinc/07/36/55/179073655.db2.gz MUTIVJHRCZZXJZ-GFCCVEGCSA-N 1 0 223.291 2.091 40 0 BEABRO Cc1[nH+]c2c(n1C[C@H]1CCOC1)CCCC2 ZINC000160730367 346462821 /nfs/dbraw/zinc/46/28/21/346462821.db2.gz JQLXKAYIMDAUCZ-LLVKDONJSA-N 1 0 220.316 2.107 40 0 BEABRO Cc1cccc(Cn2cccc2C[NH3+])c1 ZINC000049453088 179109520 /nfs/dbraw/zinc/10/95/20/179109520.db2.gz GXAQBHYDBTZQDB-UHFFFAOYSA-N 1 0 200.285 2.304 40 0 BEABRO Cc1ccc(/C=C/C(=O)NCCC[NH+](C)C)cc1 ZINC000005539634 346622857 /nfs/dbraw/zinc/62/28/57/346622857.db2.gz VWXALGJRAMAZCI-MDZDMXLPSA-N 1 0 246.354 2.076 40 0 BEABRO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](C)C2)c1 ZINC000082321001 179139782 /nfs/dbraw/zinc/13/97/82/179139782.db2.gz AQEINNCCKCLQIZ-LBPRGKRZSA-N 1 0 232.327 2.275 40 0 BEABRO Cc1cccc(OC[C@@H](O)C[NH2+]C(C)C)c1C ZINC000026780469 179170787 /nfs/dbraw/zinc/17/07/87/179170787.db2.gz YDNBUDLNDAAOEH-ZDUSSCGKSA-N 1 0 237.343 2.041 40 0 BEABRO CCCn1c2ccccc2nc1[C@H](C)[NH3+] ZINC000019734259 347268500 /nfs/dbraw/zinc/26/85/00/347268500.db2.gz NFKKKXLICUUHHD-VIFPVBQESA-N 1 0 203.289 2.466 40 0 BEABRO COc1cccc([C@@H]2C[C@H]2[C@H](C)[NH3+])c1OC ZINC000108019151 347881337 /nfs/dbraw/zinc/88/13/37/347881337.db2.gz NRMIRCUHNDPXEF-LSJOCFKGSA-N 1 0 221.300 2.155 40 0 BEABRO Cc1ccccc1[C@H](C[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000022163983 179342672 /nfs/dbraw/zinc/34/26/72/179342672.db2.gz KUIMRTKOXCKTBR-GUTXKFCHSA-N 1 0 248.370 2.104 40 0 BEABRO [NH3+][C@@H]1CCCN(Cc2cccc(F)c2Cl)C1 ZINC000038539551 348702832 /nfs/dbraw/zinc/70/28/32/348702832.db2.gz VEYUAVGCCMNBMI-SNVBAGLBSA-N 1 0 242.725 2.402 40 0 BEABRO Cc1ccc(CN2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000038539782 348704487 /nfs/dbraw/zinc/70/44/87/348704487.db2.gz RYCXZXKVRYQRMU-AWEZNQCLSA-N 1 0 218.344 2.227 40 0 BEABRO [NH3+][C@H]1CCCN(Cc2ccc(Cl)cc2F)C1 ZINC000038539835 348705182 /nfs/dbraw/zinc/70/51/82/348705182.db2.gz KURGQNCBQHVDDZ-NSHDSACASA-N 1 0 242.725 2.402 40 0 BEABRO CC(C)(C)OC(=O)N1CCC[C@@](C)([NH3+])CC1 ZINC000076675769 191006002 /nfs/dbraw/zinc/00/60/02/191006002.db2.gz PSAWVQOJMPWLAJ-GFCCVEGCSA-N 1 0 228.336 2.125 40 0 BEABRO CC[C@](C)(C(=O)OC)[NH+]1CCCCCC1 ZINC000022538610 350113360 /nfs/dbraw/zinc/11/33/60/350113360.db2.gz UAXGEFPROGRJKY-GFCCVEGCSA-N 1 0 213.321 2.204 40 0 BEABRO COC(=O)[C@H](C(C)C)[N@@H+]1CCCC[C@@H]1C ZINC000022123325 350084430 /nfs/dbraw/zinc/08/44/30/350084430.db2.gz LGVTXLWASYUXKR-QWRGUYRKSA-N 1 0 213.321 2.058 40 0 BEABRO Cc1nc2nc(C[NH3+])ccc2c(C)c1C ZINC000095533183 180114530 /nfs/dbraw/zinc/11/45/30/180114530.db2.gz FHSHGTWMXDYGCK-UHFFFAOYSA-N 1 0 201.273 2.014 40 0 BEABRO CC[N@@H+]1CCC[C@@H](Oc2ccccc2N)C1 ZINC000020351893 350490931 /nfs/dbraw/zinc/49/09/31/350490931.db2.gz PYOLIBDAFLUYTO-LLVKDONJSA-N 1 0 220.316 2.132 40 0 BEABRO COc1c(F)cccc1[C@H]1CCC[NH2+]C1 ZINC000038539447 362965557 /nfs/dbraw/zinc/96/55/57/362965557.db2.gz UGMQCTMESSKVFR-VIFPVBQESA-N 1 0 209.264 2.301 40 0 BEABRO COc1c(F)cccc1C1CC[NH2+]CC1 ZINC000038539443 362965642 /nfs/dbraw/zinc/96/56/42/362965642.db2.gz KYOFUVQDFICVLH-UHFFFAOYSA-N 1 0 209.264 2.301 40 0 BEABRO C[NH2+]C[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000256050828 351033632 /nfs/dbraw/zinc/03/36/32/351033632.db2.gz GQOXRGPBNSWUJQ-MNOVXSKESA-N 1 0 242.363 2.241 40 0 BEABRO CCN(CC)C(=[NH2+])Nc1ccc(NC(C)=O)cc1 ZINC000059497714 191135172 /nfs/dbraw/zinc/13/51/72/191135172.db2.gz KLLPESCZURIBBJ-UHFFFAOYSA-N 1 0 248.330 2.333 40 0 BEABRO Cc1cc(C)cc(NC(=O)C2CC[NH2+]CC2)c1 ZINC000019408640 188010313 /nfs/dbraw/zinc/01/03/13/188010313.db2.gz YOPYPBJKGYVWAZ-UHFFFAOYSA-N 1 0 232.327 2.242 40 0 BEABRO CC(=O)[C@]1(C)C[NH2+][C@H](c2ccccc2)C1 ZINC000254286926 188020064 /nfs/dbraw/zinc/02/00/64/188020064.db2.gz ZBZSXLZTPNUVRC-STQMWFEESA-N 1 0 203.285 2.316 40 0 BEABRO C[n+]1ccccc1-c1nc2ccccc2o1 ZINC000001496998 188273502 /nfs/dbraw/zinc/27/35/02/188273502.db2.gz CZTVNQCYMARJPV-UHFFFAOYSA-N 1 0 211.244 2.319 40 0 BEABRO CC(=O)O[C@]1(c2ccccc2)C[C@@H](C)C[N@H+](C)C1 ZINC000004474743 188277095 /nfs/dbraw/zinc/27/70/95/188277095.db2.gz QSTBERFREDOMJD-IUODEOHRSA-N 1 0 247.338 2.417 40 0 BEABRO C[NH+]1CCC(OC(=O)Nc2ccccc2)CC1 ZINC000006169406 188278277 /nfs/dbraw/zinc/27/82/77/188278277.db2.gz IPRFNMZHDAOFNJ-UHFFFAOYSA-N 1 0 234.299 2.329 40 0 BEABRO CCn1c2c(c(C)[n+]1CC)C(=O)CC(C)(C)C2 ZINC000013110935 188279105 /nfs/dbraw/zinc/27/91/05/188279105.db2.gz RIZQPVNERRRIFD-UHFFFAOYSA-N 1 0 235.351 2.279 40 0 BEABRO CC(C)[NH+]1CCC(c2cncc(N(C)C)n2)CC1 ZINC000072356985 188307329 /nfs/dbraw/zinc/30/73/29/188307329.db2.gz LGJSEIAVVMIGAN-UHFFFAOYSA-N 1 0 248.374 2.130 40 0 BEABRO COc1ccc([C@@H](C)O[C@@H]2CC[NH2+]C2)cc1 ZINC000096529876 188321496 /nfs/dbraw/zinc/32/14/96/188321496.db2.gz LZEIWEBVEJSGNL-ZWNOBZJWSA-N 1 0 221.300 2.135 40 0 BEABRO CC(C)Cn1cc(C2CC[NH2+]CC2)cn1 ZINC000095097683 188319326 /nfs/dbraw/zinc/31/93/26/188319326.db2.gz MXJWVJIWBNBSPG-UHFFFAOYSA-N 1 0 207.321 2.006 40 0 BEABRO CC[n+]1cccc(-c2nc3ccc(N)cc3o2)c1 ZINC000226777877 188331264 /nfs/dbraw/zinc/33/12/64/188331264.db2.gz IRJKXYQWQVXOEU-UHFFFAOYSA-N 1 0 240.286 2.384 40 0 BEABRO COc1cc(Br)c(C[NH3+])cc1F ZINC000169800870 188338338 /nfs/dbraw/zinc/33/83/38/188338338.db2.gz MWESMYXRFXRZBD-UHFFFAOYSA-N 1 0 234.068 2.056 40 0 BEABRO COc1cc(/C=C\c2cccc[n+]2C)ccc1O ZINC000004578841 353381850 /nfs/dbraw/zinc/38/18/50/353381850.db2.gz GOQJDPSNBTVGNH-UHFFFAOYSA-O 1 0 242.298 2.396 40 0 BEABRO CC(C)Cn1cc(C[NH2+]Cc2cccn2C)cn1 ZINC000256054135 188370190 /nfs/dbraw/zinc/37/01/90/188370190.db2.gz VBGSMGMSVFYPKS-UHFFFAOYSA-N 1 0 246.358 2.167 40 0 BEABRO Fc1ccc2c(c1)OC1(CC[NH2+]CC1)CC2 ZINC000091365349 180988093 /nfs/dbraw/zinc/98/80/93/180988093.db2.gz ZFDLTTNXANIPLB-UHFFFAOYSA-N 1 0 221.275 2.273 40 0 BEABRO Fc1cccc2[nH]cc([C@@H]3CC[NH2+]C3)c21 ZINC000082927895 181004197 /nfs/dbraw/zinc/00/41/97/181004197.db2.gz LBTLCUXSOAXTQM-MRVPVSSYSA-N 1 0 204.248 2.384 40 0 BEABRO NC(=[NH2+])COc1cccc2ccccc21 ZINC000055364098 181186637 /nfs/dbraw/zinc/18/66/37/181186637.db2.gz NUBWXMPINFKPQI-UHFFFAOYSA-N 1 0 200.241 2.155 40 0 BEABRO NC(=[NH2+])Cc1ccc(C(F)(F)F)cc1 ZINC000001442834 181188005 /nfs/dbraw/zinc/18/80/05/181188005.db2.gz LMYOUSCGIALYOB-UHFFFAOYSA-N 1 0 202.179 2.184 40 0 BEABRO [NH3+][C@H](CC(=O)N1CCCCC1)c1ccccc1 ZINC000019485590 356582083 /nfs/dbraw/zinc/58/20/83/356582083.db2.gz PUHIDTBBRRCERC-CYBMUJFWSA-N 1 0 232.327 2.089 40 0 BEABRO CCCCOC[C@H](O)C[NH+](C(C)C)C(C)C ZINC000032594537 356697672 /nfs/dbraw/zinc/69/76/72/356697672.db2.gz CMMJYMHIMICZME-CYBMUJFWSA-N 1 0 231.380 2.283 40 0 BEABRO COc1ccc2c(c1)[C@]1(CC[NH2+]1)CCC2 ZINC000086119567 357854152 /nfs/dbraw/zinc/85/41/52/357854152.db2.gz MXUXSPANGDUUPB-CYBMUJFWSA-N 1 0 203.285 2.220 40 0 BEABRO CC[C@H]1c2cc(O)c(OC)cc2CC[N@H+]1C ZINC000001719352 359632327 /nfs/dbraw/zinc/63/23/27/359632327.db2.gz LSSNGUXKALZUIF-NSHDSACASA-N 1 0 221.300 2.340 40 0 BEABRO CCOc1ccc(CC2=[NH+]CCN2)cc1Cl ZINC000026953852 359729462 /nfs/dbraw/zinc/72/94/62/359729462.db2.gz FYQKGGWVSAVSJZ-UHFFFAOYSA-N 1 0 238.718 2.283 40 0 BEABRO [NH3+]C1(C(=O)OCc2ccccc2)CCCC1 ZINC000057681156 181331088 /nfs/dbraw/zinc/33/10/88/181331088.db2.gz LXWREXKYHMWQRO-UHFFFAOYSA-N 1 0 219.284 2.001 40 0 in-vitro BEABRO [NH3+]C1(Cc2ccccc2Cl)CCOCC1 ZINC000016771342 181332319 /nfs/dbraw/zinc/33/23/19/181332319.db2.gz IIQGAWUFMVYKPZ-UHFFFAOYSA-N 1 0 225.719 2.390 40 0 BEABRO [NH3+]C1(Cc2cccc(Cl)c2)CCOCC1 ZINC000016755401 181332004 /nfs/dbraw/zinc/33/20/04/181332004.db2.gz PNEQMNKICSWGFS-UHFFFAOYSA-N 1 0 225.719 2.390 40 0 BEABRO CCCNc1ccc([C@H]2CCC[NH2+]2)cn1 ZINC000072213177 259527343 /nfs/dbraw/zinc/52/73/43/259527343.db2.gz BROUATNQNACHCI-LLVKDONJSA-N 1 0 205.305 2.328 40 0 BEABRO [NH3+]C1CCN(Cc2ccc(F)c(Cl)c2)CC1 ZINC000038539760 181344814 /nfs/dbraw/zinc/34/48/14/181344814.db2.gz ALGMTGVLDUQQSJ-UHFFFAOYSA-N 1 0 242.725 2.402 40 0 BEABRO [NH3+]CCCNc1ncc(Cl)cc1Cl ZINC000019510505 181382928 /nfs/dbraw/zinc/38/29/28/181382928.db2.gz FUDDLIZJYWXWGO-UHFFFAOYSA-N 1 0 220.103 2.149 40 0 BEABRO [NH3+]CCCNc1ccnc2ccc(F)cc21 ZINC000212274642 181383752 /nfs/dbraw/zinc/38/37/52/181383752.db2.gz KMFUVNLSZGIDGC-UHFFFAOYSA-N 1 0 219.263 2.135 40 0 BEABRO [NH3+]CCN(Cc1cccc(Cl)c1)C1CC1 ZINC000032014909 181390804 /nfs/dbraw/zinc/39/08/04/181390804.db2.gz OCIRSSDVXOCHEE-UHFFFAOYSA-N 1 0 224.735 2.263 40 0 BEABRO [NH3+]CC[C@H]1CCc2ccc3c(c21)CCO3 ZINC000022066830 181410858 /nfs/dbraw/zinc/41/08/58/181410858.db2.gz BFNUHWYOQCGTCA-SNVBAGLBSA-N 1 0 203.285 2.000 40 0 BEABRO [NH3+]CCc1cnc(Cc2ccccc2)s1 ZINC000084398996 181413172 /nfs/dbraw/zinc/41/31/72/181413172.db2.gz GYPKNJWJCZWIHE-UHFFFAOYSA-N 1 0 218.325 2.235 40 0 BEABRO Cc1ccc2c(c1)C1(CO2)CC[NH2+]CC1 ZINC000147204836 368350779 /nfs/dbraw/zinc/35/07/79/368350779.db2.gz GLVCEHJQWFQMOQ-UHFFFAOYSA-N 1 0 203.285 2.009 40 0 BEABRO Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000147995967 368350938 /nfs/dbraw/zinc/35/09/38/368350938.db2.gz CEIRCCADSFHOQD-GDNZZTSVSA-N 1 0 234.347 2.165 40 0 BEABRO Cc1ncsc1-c1cncc([C@H]2CCC[NH2+]2)n1 ZINC000205686848 368358785 /nfs/dbraw/zinc/35/87/85/368358785.db2.gz DKOFWCVKSDXXNW-SECBINFHSA-N 1 0 246.339 2.333 40 0 BEABRO COc1ccc([C@@H]2C[C@@H]2[C@H](C)[NH3+])c(OC)c1 ZINC000108019111 369372095 /nfs/dbraw/zinc/37/20/95/369372095.db2.gz RRLUYITYNNJRHP-AXTRIDKLSA-N 1 0 221.300 2.155 40 0 BEABRO Cc1ccccc1N1CC[NH2+][C@@H]2CCC[C@@H]21 ZINC000225716302 259540935 /nfs/dbraw/zinc/54/09/35/259540935.db2.gz IOMBDNVJKDTDRM-OCCSQVGLSA-N 1 0 216.328 2.326 40 0 BEABRO CN1C[C@H]([NH3+])[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000225606719 259540982 /nfs/dbraw/zinc/54/09/82/259540982.db2.gz UIWXGHGHPNUHNF-KCJUWKMLSA-N 1 0 245.153 2.350 40 0 BEABRO C[C@H]([NH2+]C[C@H]1CCCO1)c1ccccc1N ZINC000225817111 259543181 /nfs/dbraw/zinc/54/31/81/259543181.db2.gz HSDABBKNINJUIG-WDEREUQCSA-N 1 0 220.316 2.098 40 0 BEABRO CCc1nc2ccccc2n1[C@H]1CC[NH2+]C1 ZINC000062807708 370101834 /nfs/dbraw/zinc/10/18/34/370101834.db2.gz CRIUPAQFNBSLJE-JTQLQIEISA-N 1 0 215.300 2.133 40 0 BEABRO C[NH2+]Cc1c(Cl)nc2sc(C)cn12 ZINC000256054995 370638173 /nfs/dbraw/zinc/63/81/73/370638173.db2.gz YRYMDEYNMVXAQZ-UHFFFAOYSA-N 1 0 215.709 2.077 40 0 BEABRO CC(C)C(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000013425061 371064071 /nfs/dbraw/zinc/06/40/71/371064071.db2.gz OKDZSBOUVNBQMR-STQMWFEESA-N 1 0 239.359 2.450 40 0 BEABRO Cc1ccc([C@H](N)C[NH+]2CCCCC2)cc1 ZINC000019821196 371192690 /nfs/dbraw/zinc/19/26/90/371192690.db2.gz KZAQKTBENFPOFP-CQSZACIVSA-N 1 0 218.344 2.481 40 0 BEABRO [NH3+][C@@H]1CCN(c2cccc(C(F)(F)F)c2)C1 ZINC000037240986 181590005 /nfs/dbraw/zinc/59/00/05/181590005.db2.gz WGNMDIPCMAFVDZ-SECBINFHSA-N 1 0 230.233 2.243 40 0 BEABRO C([C@H]1CCCC[NH2+]1)N1CCCCCCC1 ZINC000020266057 371256656 /nfs/dbraw/zinc/25/66/56/371256656.db2.gz NOLHLBOSSOJEMB-CYBMUJFWSA-N 1 0 210.365 2.395 40 0 BEABRO COc1cc(OC)cc([C@@H]2C[C@H]2[C@@H](C)[NH3+])c1 ZINC000020594412 371301608 /nfs/dbraw/zinc/30/16/08/371301608.db2.gz SCBRMCDRXPTYCI-JCOFBHIZSA-N 1 0 221.300 2.155 40 0 BEABRO CC(C)(C)c1cnc(C2=CC[NH2+]CC2)o1 ZINC000242722756 372286743 /nfs/dbraw/zinc/28/67/43/372286743.db2.gz XUBKFIUWJHBICO-UHFFFAOYSA-N 1 0 206.289 2.349 40 0 BEABRO Clc1ccc(COC2CC[NH2+]CC2)cn1 ZINC000040434916 373263908 /nfs/dbraw/zinc/26/39/08/373263908.db2.gz AUPYHCUIXHDJAY-UHFFFAOYSA-N 1 0 226.707 2.004 40 0 BEABRO CC[NH2+][C@@H](C)C(=O)c1cccc(CC)c1 ZINC000095215366 170138760 /nfs/dbraw/zinc/13/87/60/170138760.db2.gz ZGWFZYCOHXHOHU-JTQLQIEISA-N 1 0 205.301 2.430 40 0 in-vitro BEABRO OCCC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000052762280 183063533 /nfs/dbraw/zinc/06/35/33/183063533.db2.gz RKQFVFSOECMBDG-AWEZNQCLSA-N 1 0 219.328 2.424 40 0 BEABRO OCCOC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000079390542 183085949 /nfs/dbraw/zinc/08/59/49/183085949.db2.gz ZSLPPTNIOXWNFI-OAHLLOKOSA-N 1 0 249.354 2.050 40 0 BEABRO OCC[C@H](c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000001720359 183096959 /nfs/dbraw/zinc/09/69/59/183096959.db2.gz ORLHWXNQUUVXDC-ZIAGYGMSSA-N 1 0 219.328 2.295 40 0 BEABRO CCCC[C@H](O)C[NH2+]Cc1ccccc1 ZINC000026897782 169012881 /nfs/dbraw/zinc/01/28/81/169012881.db2.gz HQBWWSLWQZDYQM-ZDUSSCGKSA-N 1 0 207.317 2.327 40 0 BEABRO OC[C@H]1CC[C@H]([NH2+]C[C@H]2CC=CCC2)CC1 ZINC000104314157 183125196 /nfs/dbraw/zinc/12/51/96/183125196.db2.gz FAJYJMBNNQFHDB-MELADBBJSA-N 1 0 223.360 2.483 40 0 BEABRO O[C@H]1CC[C@H]([NH2+]Cc2ccccc2F)CC1 ZINC000100173847 183202578 /nfs/dbraw/zinc/20/25/78/183202578.db2.gz NHCOMEZLJSALQB-TXEJJXNPSA-N 1 0 223.291 2.219 40 0 BEABRO O[C@H]1[C@@H]2CC[C@H]1[C@@H]([NH+]1CCCCC1)CC2 ZINC000004336983 183213216 /nfs/dbraw/zinc/21/32/16/183213216.db2.gz OTFFUZVPVSDGHV-VOAKCMCISA-N 1 0 209.333 2.022 40 0 BEABRO Oc1ccc2[nH]cc(C3=CC[NH2+]CC3)c2c1 ZINC000021986609 183277746 /nfs/dbraw/zinc/27/77/46/183277746.db2.gz YMCFWPXQTPNUBN-UHFFFAOYSA-N 1 0 214.268 2.250 40 0 BEABRO c1cnc2cccc(C[C@H]3CC[NH2+]C3)c2c1 ZINC000072367584 183354698 /nfs/dbraw/zinc/35/46/98/183354698.db2.gz FFRVQOSDKUWSSX-LLVKDONJSA-N 1 0 212.296 2.387 40 0 BEABRO c1cc2c(s1)CC[NH2+][C@H]2COc1ccncc1 ZINC000096526599 183358802 /nfs/dbraw/zinc/35/88/02/183358802.db2.gz LVYYJCCSTILEBP-LBPRGKRZSA-N 1 0 246.335 2.409 40 0 BEABRO c1cc2cc(C[C@H]3CCC[NH2+]C3)cnc2[nH]1 ZINC000257304897 183374102 /nfs/dbraw/zinc/37/41/02/183374102.db2.gz SNOMDWXTFNDAFR-SNVBAGLBSA-N 1 0 215.300 2.105 40 0 BEABRO c1nc([C@H]2CCCC[NH2+]2)n(-c2ccccc2)n1 ZINC000096524337 183388046 /nfs/dbraw/zinc/38/80/46/183388046.db2.gz HTDZCXQQSNLQTG-GFCCVEGCSA-N 1 0 228.299 2.082 40 0 BEABRO CCC[NH2+]C[C@H](O)CNc1ccc(Cl)cc1 ZINC000001673172 169263998 /nfs/dbraw/zinc/26/39/98/169263998.db2.gz CDHQJUOWVCOCSW-LBPRGKRZSA-N 1 0 242.750 2.112 40 0 BEABRO c1ccc(CN2CCC[C@]23CCC[NH2+]C3)cc1 ZINC000026894970 183398244 /nfs/dbraw/zinc/39/82/44/183398244.db2.gz AQDOFQYPDSIZHN-HNNXBMFYSA-N 1 0 230.355 2.405 40 0 BEABRO c1ccc(CN2CCC[C@H]([NH2+]C3CC3)C2)cc1 ZINC000036904499 183398341 /nfs/dbraw/zinc/39/83/41/183398341.db2.gz KSJRWDWIFHZRLF-HNNXBMFYSA-N 1 0 230.355 2.403 40 0 BEABRO c1cc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)n[nH]1 ZINC000072187692 183398514 /nfs/dbraw/zinc/39/85/14/183398514.db2.gz OKLKRMMFDLHIAK-GFCCVEGCSA-N 1 0 242.326 2.184 40 0 BEABRO Cc1ccc(C[N@@H+](CCO)C(C)C)cc1 ZINC000049825108 383819159 /nfs/dbraw/zinc/81/91/59/383819159.db2.gz XZONFSPRQJKBQQ-UHFFFAOYSA-N 1 0 207.317 2.198 40 0 BEABRO C[C@H]1[C@@H](O)CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000001233053 383891388 /nfs/dbraw/zinc/89/13/88/383891388.db2.gz VPGJNXCGHFUNEJ-DRZSPHRISA-N 1 0 205.301 2.060 40 0 BEABRO C[C@@H](C[NH3+])Cc1cccc(OC(F)F)c1 ZINC000089262724 383958548 /nfs/dbraw/zinc/95/85/48/383958548.db2.gz DOVAKENMPXSWAP-MRVPVSSYSA-N 1 0 215.243 2.425 40 0 BEABRO C[C@@H]1Cc2ccc(OCC[NH+](C)C)cc2C1=O ZINC000004769563 384079308 /nfs/dbraw/zinc/07/93/08/384079308.db2.gz GHKQNMRCFJRKKK-SNVBAGLBSA-N 1 0 233.311 2.002 40 0 BEABRO FC(F)(F)c1cccc(C[C@@H]2C[NH2+]CCO2)c1 ZINC000035837692 384109586 /nfs/dbraw/zinc/10/95/86/384109586.db2.gz VKNXFHCIEDAJGJ-LLVKDONJSA-N 1 0 245.244 2.236 40 0 BEABRO CC(C)(C)C(=O)NCCC[NH+]1CCCCC1 ZINC000070248671 384093146 /nfs/dbraw/zinc/09/31/46/384093146.db2.gz OVKZMLOJVPKYBO-UHFFFAOYSA-N 1 0 226.364 2.025 40 0 BEABRO C[C@@H](CC(=O)N1CC[NH2+][C@H](C)C1)CC(C)(C)C ZINC000071978899 384191912 /nfs/dbraw/zinc/19/19/12/384191912.db2.gz MAIZCWMVHAYQEK-NWDGAFQWSA-N 1 0 240.391 2.269 40 0 BEABRO Cn1cnnc1[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000072356839 384210185 /nfs/dbraw/zinc/21/01/85/384210185.db2.gz MEQDLBPKFJVKHZ-GFCCVEGCSA-N 1 0 248.374 2.327 40 0 BEABRO Cc1noc([C@H]2CCCN2Cc2ccccn2)n1 ZINC000072357082 384210313 /nfs/dbraw/zinc/21/03/13/384210313.db2.gz NAXWJMOYFRMAEZ-GFCCVEGCSA-N 1 0 244.298 2.110 40 0 BEABRO Cc1cncnc1C1CC[NH+](CC2CC2)CC1 ZINC000072350810 384211000 /nfs/dbraw/zinc/21/10/00/384211000.db2.gz MVTWTTBHRBESRS-UHFFFAOYSA-N 1 0 231.343 2.374 40 0 BEABRO c1cnc([C@@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000072361338 384212634 /nfs/dbraw/zinc/21/26/34/384212634.db2.gz VUCZYUKZZRXBNP-GFCCVEGCSA-N 1 0 217.316 2.066 40 0 BEABRO CNc1cncc(C2CC[NH+](CC3CC3)CC2)n1 ZINC000072361346 384213031 /nfs/dbraw/zinc/21/30/31/384213031.db2.gz ZWDARWRLULGECC-UHFFFAOYSA-N 1 0 246.358 2.108 40 0 BEABRO CC(C)[N@@H+]1CCC[C@H](c2csc(N)n2)C1 ZINC000072367738 384213257 /nfs/dbraw/zinc/21/32/57/384213257.db2.gz JGUBKXRVTUYDRL-VIFPVBQESA-N 1 0 225.361 2.313 40 0 BEABRO CC(=O)N1CC[N@@H+](C(C)C)[C@@H](c2ccccc2)C1 ZINC000072366559 384214031 /nfs/dbraw/zinc/21/40/31/384214031.db2.gz GRWKRYOMXMVRKK-OAHLLOKOSA-N 1 0 246.354 2.300 40 0 BEABRO Cc1cc(C)c2nc3c(cc2c1)C[NH2+]CCO3 ZINC000072373422 384214116 /nfs/dbraw/zinc/21/41/16/384214116.db2.gz WBRSTFUNQJXIJL-UHFFFAOYSA-N 1 0 228.295 2.334 40 0 BEABRO Cc1nc(N)cc([C@H]2CC[N@@H+]2C2CCCCC2)n1 ZINC000072387470 384219491 /nfs/dbraw/zinc/21/94/91/384219491.db2.gz FCRFAHAOBQUKQG-CYBMUJFWSA-N 1 0 246.358 2.447 40 0 BEABRO c1ncc([C@H]2CCC[NH2+]2)nc1NC1CCCC1 ZINC000072386455 384220642 /nfs/dbraw/zinc/22/06/42/384220642.db2.gz ROJHDPKETSUQPB-LLVKDONJSA-N 1 0 232.331 2.256 40 0 BEABRO O=C1c2ccsc2C[N+]2=C1CCCC2 ZINC000008861888 384224436 /nfs/dbraw/zinc/22/44/36/384224436.db2.gz YYCATTJBUDWNCK-UHFFFAOYSA-N 1 0 206.290 2.082 40 0 BEABRO C[NH+]1CCC(CC(=O)NC2CCCCC2)CC1 ZINC000074920895 384311995 /nfs/dbraw/zinc/31/19/95/384311995.db2.gz ZEHJULGSFZFIKA-UHFFFAOYSA-N 1 0 238.375 2.167 40 0 BEABRO CC(C)(C)OC(=O)n1cc(C[NH3+])c2cccnc21 ZINC000095830898 384403373 /nfs/dbraw/zinc/40/33/73/384403373.db2.gz OJSDFEXIAAQNQI-UHFFFAOYSA-N 1 0 247.298 2.278 40 0 BEABRO c1cncc(N2CC[C@@]3(C2)CC2CC[NH+]3CC2)c1 ZINC000013975454 384376570 /nfs/dbraw/zinc/37/65/70/384376570.db2.gz RHQJWLPJMQCJOF-HNNXBMFYSA-N 1 0 243.354 2.146 40 0 BEABRO CC(C)CCC(=O)N1CCCC12CC[NH2+]CC2 ZINC000096049290 384428579 /nfs/dbraw/zinc/42/85/79/384428579.db2.gz MPGVVPTTXLFIDU-UHFFFAOYSA-N 1 0 238.375 2.167 40 0 BEABRO C1C[C@]2(CC[N@@H+](C3CCCCC3)C2)CO1 ZINC000096051072 384428606 /nfs/dbraw/zinc/42/86/06/384428606.db2.gz PLCFTPNVCNILNX-ZDUSSCGKSA-N 1 0 209.333 2.432 40 0 BEABRO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000096054901 384428661 /nfs/dbraw/zinc/42/86/61/384428661.db2.gz CNGRAOAKMAGIBK-OKILXGFUSA-N 1 0 217.312 2.073 40 0 BEABRO CCCn1ccc([C@@H](C)[NH2+]CCOC)c1 ZINC000078406129 384443026 /nfs/dbraw/zinc/44/30/26/384443026.db2.gz UJSFNYZQDKETNA-LLVKDONJSA-N 1 0 210.321 2.195 40 0 BEABRO Cc1cncc(COC[C@@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000096206334 384443019 /nfs/dbraw/zinc/44/30/19/384443019.db2.gz QRPVTDTVTNAAQK-CABCVRRESA-N 1 0 246.354 2.296 40 0 BEABRO C[C@@H]1CCCN(c2cc(C3CC3)[nH+]c(N)n2)C1 ZINC000078404612 384443312 /nfs/dbraw/zinc/44/33/12/384443312.db2.gz LEUPOUHAXVHUFO-SECBINFHSA-N 1 0 232.331 2.173 40 0 BEABRO Cc1c[nH+]c(N2CCC[C@H](C)C2)c(N)c1 ZINC000085425104 384520428 /nfs/dbraw/zinc/52/04/28/384520428.db2.gz NCUHGQFGMRDZQU-VIFPVBQESA-N 1 0 205.305 2.209 40 0 BEABRO Cc1c(-c2cccc(F)c2)[nH+]c(N)n1C ZINC000199560312 384522183 /nfs/dbraw/zinc/52/21/83/384522183.db2.gz OGSHKHWMPSPKDY-UHFFFAOYSA-N 1 0 205.236 2.117 40 0 BEABRO [NH3+]CCn1ccc(-c2ccc(Cl)cc2)n1 ZINC000044249872 384544295 /nfs/dbraw/zinc/54/42/95/384544295.db2.gz BPEJZDGHJVPDDO-UHFFFAOYSA-N 1 0 221.691 2.162 40 0 BEABRO COc1ccc(C[NH2+]CC(C)C)cc1O ZINC000019882938 384550370 /nfs/dbraw/zinc/55/03/70/384550370.db2.gz VQZBGRIZKHVERG-UHFFFAOYSA-N 1 0 209.289 2.146 40 0 BEABRO OC[C@@H](c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000070453249 384563756 /nfs/dbraw/zinc/56/37/56/384563756.db2.gz HCYAJXNBVBUXHX-LBPRGKRZSA-N 1 0 227.254 2.094 40 0 BEABRO Cc1sc(C[NH3+])cc1Br ZINC000082931469 384603458 /nfs/dbraw/zinc/60/34/58/384603458.db2.gz OQXFBPJIZLOBOF-UHFFFAOYSA-N 1 0 206.108 2.278 40 0 BEABRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072208701 384641022 /nfs/dbraw/zinc/64/10/22/384641022.db2.gz UHURVYQOXPFTNJ-UWVGGRQHSA-N 1 0 228.336 2.123 40 0 BEABRO CCCC[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000256051879 384872080 /nfs/dbraw/zinc/87/20/80/384872080.db2.gz KWAHUVKKDVKDPY-UHFFFAOYSA-N 1 0 235.253 2.329 40 0 BEABRO CCOc1ccccc1[C@@H]1C[C@H]1C[NH2+]C ZINC000054588682 384841387 /nfs/dbraw/zinc/84/13/87/384841387.db2.gz RIUBOBWEODBZEH-CMPLNLGQSA-N 1 0 205.301 2.408 40 0 BEABRO CCOc1ccc([C@@H]2C[C@H]2C[NH2+]C)cc1 ZINC000054588789 384842404 /nfs/dbraw/zinc/84/24/04/384842404.db2.gz NIFATAJCKVXGJO-AAEUAGOBSA-N 1 0 205.301 2.408 40 0 BEABRO CO[C@@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000062711442 384853046 /nfs/dbraw/zinc/85/30/46/384853046.db2.gz SZLGUFFPYGMAFW-VIFPVBQESA-N 1 0 219.206 2.352 40 0 BEABRO CCO[C@@H](C[NH2+]C)c1cc(OC)ccc1OC ZINC000062711544 384854159 /nfs/dbraw/zinc/85/41/59/384854159.db2.gz MQULZARVIPALLP-ZDUSSCGKSA-N 1 0 239.315 2.001 40 0 BEABRO CCC[C@H]([NH3+])CN(C)CCc1ccccc1 ZINC000083852697 384910814 /nfs/dbraw/zinc/91/08/14/384910814.db2.gz DDQWMWDOYWLRLU-AWEZNQCLSA-N 1 0 220.360 2.288 40 0 BEABRO Nc1scc(-c2ccccc2)c1C[NH3+] ZINC000252510254 384931635 /nfs/dbraw/zinc/93/16/35/384931635.db2.gz ZFPAUKWECJKQJY-UHFFFAOYSA-N 1 0 204.298 2.456 40 0 BEABRO C[NH+](C)CCCNCc1ccccc1Cl ZINC000057362385 384942747 /nfs/dbraw/zinc/94/27/47/384942747.db2.gz YZUMVNVVBSKFSU-UHFFFAOYSA-N 1 0 226.751 2.381 40 0 BEABRO c1cnc(NC2CCC2)c([C@@H]2CCC[NH2+]2)c1 ZINC000072213880 385084424 /nfs/dbraw/zinc/08/44/24/385084424.db2.gz RIUKDRKFJDMNEM-LBPRGKRZSA-N 1 0 217.316 2.471 40 0 BEABRO C[C@H](NC(=O)OC(C)(C)C)[C@H]([NH3+])C(C)(C)C ZINC000072208910 385065247 /nfs/dbraw/zinc/06/52/47/385065247.db2.gz VUWSUDMNWJUZAL-IUCAKERBSA-N 1 0 230.352 2.273 40 0 BEABRO CC[N@@H+]1CCC[C@@H]1c1ccc(NC)nc1 ZINC000072212467 385074736 /nfs/dbraw/zinc/07/47/36/385074736.db2.gz SPGOTUDTFXBETB-LLVKDONJSA-N 1 0 205.305 2.280 40 0 BEABRO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(N)nc1 ZINC000072212365 385075945 /nfs/dbraw/zinc/07/59/45/385075945.db2.gz VLAGACIWOOGJBS-GFCCVEGCSA-N 1 0 219.332 2.457 40 0 BEABRO CCN(C)c1ccc([C@@H]2CCC[N@@H+]2C)cn1 ZINC000072212701 385078341 /nfs/dbraw/zinc/07/83/41/385078341.db2.gz DDVYMRYEYLAUOR-LBPRGKRZSA-N 1 0 219.332 2.304 40 0 BEABRO CC(C)[C@H]([NH3+])c1nc(COc2ccccc2)n[nH]1 ZINC000095534698 385046813 /nfs/dbraw/zinc/04/68/13/385046813.db2.gz FXSPSYILNYACKF-LBPRGKRZSA-N 1 0 246.314 2.040 40 0 BEABRO CC[C@H]([NH3+])c1ccc(N2CCCC2)nc1 ZINC000072225436 385118181 /nfs/dbraw/zinc/11/81/81/385118181.db2.gz QPXPXHAQPXIZNT-NSHDSACASA-N 1 0 205.305 2.092 40 0 BEABRO CC(C)n1cc(CNc2ccccn2)cn1 ZINC000072226473 385125850 /nfs/dbraw/zinc/12/58/50/385125850.db2.gz YGBJVERAIPYBJR-UHFFFAOYSA-N 1 0 216.288 2.471 40 0 BEABRO [NH3+][C@@H](c1ccc(F)cc1)C1CCOCC1 ZINC000061671342 385129643 /nfs/dbraw/zinc/12/96/43/385129643.db2.gz YLPBABRLRUVRGD-LBPRGKRZSA-N 1 0 209.264 2.252 40 0 BEABRO [NH3+]CCc1nc(-c2ccccc2)n2c1CCCC2 ZINC000084068553 385088178 /nfs/dbraw/zinc/08/81/78/385088178.db2.gz VXFIGPGOCTVPMU-UHFFFAOYSA-N 1 0 241.338 2.388 40 0 BEABRO C[N@@H+]1CCC[C@H]1c1ccc(N2CCCC2)nc1 ZINC000072215908 385093838 /nfs/dbraw/zinc/09/38/38/385093838.db2.gz ZODYVBOJYKCRPQ-ZDUSSCGKSA-N 1 0 231.343 2.449 40 0 BEABRO c1cc(N2CCCC2)ncc1C1=[NH+]CCC1 ZINC000072215903 385094842 /nfs/dbraw/zinc/09/48/42/385094842.db2.gz JSYLWPVPEZJICH-UHFFFAOYSA-N 1 0 215.300 2.265 40 0 BEABRO c1ccc2c(c1)CCC[C@H]([NH+]1CCOCC1)C2 ZINC000031688602 385097685 /nfs/dbraw/zinc/09/76/85/385097685.db2.gz YXHVRKMBBILLSE-HNNXBMFYSA-N 1 0 231.339 2.266 40 0 BEABRO Cc1cc(=S)[nH]cc1[C@@H]1CCC[N@H+]1C ZINC000072218305 385100509 /nfs/dbraw/zinc/10/05/09/385100509.db2.gz CBGSOLUGYGGVLY-JTQLQIEISA-N 1 0 208.330 2.445 40 0 BEABRO Cc1cc(C2=[NH+]CCC2)cnc1N(C)C ZINC000072218601 385100551 /nfs/dbraw/zinc/10/05/51/385100551.db2.gz GAFWGTMPTRUMIX-UHFFFAOYSA-N 1 0 203.289 2.039 40 0 BEABRO CC[N@@H+]1CCC[C@H]1c1cnc(N)c(C)c1 ZINC000072218432 385100624 /nfs/dbraw/zinc/10/06/24/385100624.db2.gz VMWWWYACWAJDNS-NSHDSACASA-N 1 0 205.305 2.129 40 0 BEABRO Cc1cc([C@H]2CCCC[NH2+]2)c[nH]c1=S ZINC000072218273 385101787 /nfs/dbraw/zinc/10/17/87/385101787.db2.gz ABGDTIFHQWQPRJ-SNVBAGLBSA-N 1 0 208.330 2.493 40 0 BEABRO Cc1nc(N2CCCC2)ccc1[C@H]1CCC[NH2+]1 ZINC000072218903 385104745 /nfs/dbraw/zinc/10/47/45/385104745.db2.gz MKEQLXRJMCCJEF-CYBMUJFWSA-N 1 0 231.343 2.415 40 0 BEABRO CNc1ncc([C@@H]2CCC[N@@H+]2C)cc1C ZINC000072218965 385104887 /nfs/dbraw/zinc/10/48/87/385104887.db2.gz BKKQCJIJJHRBSG-NSHDSACASA-N 1 0 205.305 2.198 40 0 BEABRO CCc1ccc(NC[C@@H]2C[C@H]2C[NH3+])cc1 ZINC000096509423 385239971 /nfs/dbraw/zinc/23/99/71/385239971.db2.gz LWWYZGKFDTUAQN-RYUDHWBXSA-N 1 0 204.317 2.256 40 0 BEABRO NC[C@@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC000096523617 385269206 /nfs/dbraw/zinc/26/92/06/385269206.db2.gz BWROVJAJIZRKEO-ZDUSSCGKSA-N 1 0 210.365 2.380 40 0 BEABRO CSCC[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000096523848 385269823 /nfs/dbraw/zinc/26/98/23/385269823.db2.gz SAECLIOPLWNVPM-CYBMUJFWSA-N 1 0 238.400 2.199 40 0 BEABRO Clc1ccccc1CN1CC[C@@H]2O[C@@H]2C1 ZINC000095097773 385449841 /nfs/dbraw/zinc/44/98/41/385449841.db2.gz YWJBKBIXBSXBHX-NWDGAFQWSA-N 1 0 223.703 2.313 40 0 BEABRO [NH3+]C[C@H](c1c(F)cccc1F)N1CCCC1 ZINC000022220246 385685743 /nfs/dbraw/zinc/68/57/43/385685743.db2.gz XOVXXQWEUKCKQA-LLVKDONJSA-N 1 0 226.270 2.060 40 0 BEABRO CN(C)[C@H](CC[NH3+])c1ccccc1Cl ZINC000041226726 385688836 /nfs/dbraw/zinc/68/88/36/385688836.db2.gz RZVAUDVGENAUMG-LLVKDONJSA-N 1 0 212.724 2.292 40 0 BEABRO [NH3+]C[C@]1(CO)C[C@H]1c1cccc(Cl)c1Cl ZINC000062713548 385698574 /nfs/dbraw/zinc/69/85/74/385698574.db2.gz MJDQUHRGPPKQNS-KWQFWETISA-N 1 0 246.137 2.418 40 0 BEABRO CNc1ncc(C[NH2+][C@@H](C)c2ccccc2)cn1 ZINC000062717433 385712961 /nfs/dbraw/zinc/71/29/61/385712961.db2.gz HKOSUBSHGFVTOQ-NSHDSACASA-N 1 0 242.326 2.369 40 0 BEABRO CCCC[NH2+]Cc1cnc(SC)nc1 ZINC000062717203 385713603 /nfs/dbraw/zinc/71/36/03/385713603.db2.gz RTPGHGWUBMTNCV-UHFFFAOYSA-N 1 0 211.334 2.088 40 0 BEABRO CSc1ncc(C[NH2+]C(C)(C)C)cn1 ZINC000062717196 385714215 /nfs/dbraw/zinc/71/42/15/385714215.db2.gz SAIBORUJPHQAEZ-UHFFFAOYSA-N 1 0 211.334 2.087 40 0 BEABRO [NH3+]CCc1cc(-c2ccc(Cl)cc2)on1 ZINC000020270381 385670184 /nfs/dbraw/zinc/67/01/84/385670184.db2.gz MOVZWLKXFSLREH-UHFFFAOYSA-N 1 0 222.675 2.496 40 0 BEABRO Cc1c[nH]c([C@H]2CCN(c3cc[nH+]cc3)C2)n1 ZINC000257219270 385752955 /nfs/dbraw/zinc/75/29/55/385752955.db2.gz DGFRPGWTXMNWCF-NSHDSACASA-N 1 0 228.299 2.107 40 0 BEABRO Cc1c[nH]c([C@@H]2CCN(Cc3cc(C)on3)C2)n1 ZINC000257252611 385757348 /nfs/dbraw/zinc/75/73/48/385757348.db2.gz JVKXSNHWOYOHAX-LLVKDONJSA-N 1 0 246.314 2.004 40 0 BEABRO Cc1c[nH]c([C@H]2CC[N@H+](Cc3cncs3)C2)n1 ZINC000257337929 385763268 /nfs/dbraw/zinc/76/32/68/385763268.db2.gz YVBHIHJNPHJDBO-JTQLQIEISA-N 1 0 248.355 2.164 40 0 BEABRO Cc1c[nH]c([C@@H]2CC[N@H+](Cc3cncs3)C2)n1 ZINC000257337930 385763644 /nfs/dbraw/zinc/76/36/44/385763644.db2.gz YVBHIHJNPHJDBO-SNVBAGLBSA-N 1 0 248.355 2.164 40 0 BEABRO Cc1c[nH]c([C@@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000257327896 385765630 /nfs/dbraw/zinc/76/56/30/385765630.db2.gz XDFDWTKNHIXPNS-LBPRGKRZSA-N 1 0 235.331 2.034 40 0 BEABRO Clc1ccc2c(c1)CC[C@]21COCC[NH2+]1 ZINC000306145792 385993999 /nfs/dbraw/zinc/99/39/99/385993999.db2.gz QHWLSOZPXFURBL-LBPRGKRZSA-N 1 0 223.703 2.101 40 0 BEABRO Cn1c2cc(Cl)c(Cl)cc2nc1CC[NH3+] ZINC000096985942 386003075 /nfs/dbraw/zinc/00/30/75/386003075.db2.gz KSCQXPMNJVXOBT-UHFFFAOYSA-N 1 0 244.125 2.381 40 0 BEABRO CC[C@H](C)n1cccc1C[NH2+]CCOC ZINC000223689786 386093978 /nfs/dbraw/zinc/09/39/78/386093978.db2.gz XPBOOHOIDJNIOD-NSHDSACASA-N 1 0 210.321 2.195 40 0 BEABRO C[C@@H]1CO[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C[NH3+])[C@H]21 ZINC000225761592 386217121 /nfs/dbraw/zinc/21/71/21/386217121.db2.gz ULMGXBABGMHAEG-SOYHJAILSA-N 1 0 237.265 2.185 40 0 BEABRO C[C@H]([NH3+])[C@H]1C[C@@H]1c1ccc2c(c1)CCO2 ZINC000037362455 386230882 /nfs/dbraw/zinc/23/08/82/386230882.db2.gz ATVUCOFCESBIAI-XXILOJSOSA-N 1 0 203.285 2.072 40 0 BEABRO CCc1ccc(C[NH2+]Cc2ccco2)[nH]1 ZINC000226019330 386231974 /nfs/dbraw/zinc/23/19/74/386231974.db2.gz JEIYOQUOQNBKPF-UHFFFAOYSA-N 1 0 204.273 2.460 40 0 BEABRO Cc1c(F)cccc1N1CC[NH2+][C@@H]2CCC[C@H]21 ZINC000218847324 386262459 /nfs/dbraw/zinc/26/24/59/386262459.db2.gz QINLAUWQAQYXRC-TZMCWYRMSA-N 1 0 234.318 2.465 40 0 BEABRO [NH3+]C[C@@H]1C[C@@]12CCOc1ccc(Cl)cc12 ZINC000218685606 386354909 /nfs/dbraw/zinc/35/49/09/386354909.db2.gz OJTLHRANFACQCV-UFBFGSQYSA-N 1 0 223.703 2.339 40 0 BEABRO [NH3+][C@H]1CCC[C@@H]1Nc1cc(F)cc(F)c1 ZINC000218883538 386510329 /nfs/dbraw/zinc/51/03/29/386510329.db2.gz JTSPYXFCIXDUNO-QWRGUYRKSA-N 1 0 212.243 2.257 40 0 BEABRO [NH3+][C@@H]1CCN(Cc2ccc(F)c(Cl)c2)C1 ZINC000053157828 386816464 /nfs/dbraw/zinc/81/64/64/386816464.db2.gz GGIIGXJMCJQJQC-SECBINFHSA-N 1 0 228.698 2.012 40 0 BEABRO NC(=[NH2+])[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000575423451 387039137 /nfs/dbraw/zinc/03/91/37/387039137.db2.gz NJRWLSBDDNFIKQ-RKDXNWHRSA-N 1 0 239.116 2.489 40 0 BEABRO CCc1ccc(-c2cnn(CCC[NH3+])c2)cc1 ZINC000049821462 387101937 /nfs/dbraw/zinc/10/19/37/387101937.db2.gz AXMQKDLWTJKRCT-UHFFFAOYSA-N 1 0 229.327 2.461 40 0 BEABRO C[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000053201422 387534094 /nfs/dbraw/zinc/53/40/94/387534094.db2.gz JOSDAGWYZQVTNP-CYBMUJFWSA-N 1 0 222.307 2.010 40 0 BEABRO [NH3+]Cc1cc(-c2cccc(Cl)c2)on1 ZINC000040175375 387648942 /nfs/dbraw/zinc/64/89/42/387648942.db2.gz GLWAOUGBPNPXJW-UHFFFAOYSA-N 1 0 208.648 2.454 40 0 BEABRO O=Cc1cccc(F)c1OCC[NH+]1CCCC1 ZINC000040541778 387783908 /nfs/dbraw/zinc/78/39/08/387783908.db2.gz XMMJECDFDADDTC-UHFFFAOYSA-N 1 0 237.274 2.113 40 0 BEABRO CCCn1nccc1C[NH2+]CCC(C)C ZINC000164826957 387853823 /nfs/dbraw/zinc/85/38/23/387853823.db2.gz SJWZCCIFDMSMKU-UHFFFAOYSA-N 1 0 209.337 2.429 40 0 BEABRO C[NH+]1CCC(COc2ccc(N)cc2F)CC1 ZINC000067800834 387855479 /nfs/dbraw/zinc/85/54/79/387855479.db2.gz XWUDBNUMHWTNPW-UHFFFAOYSA-N 1 0 238.306 2.129 40 0 BEABRO CCCn1cc(C[NH2+]CCCOC(C)C)cn1 ZINC000227281295 387857191 /nfs/dbraw/zinc/85/71/91/387857191.db2.gz AYDGSODFRFGBMJ-UHFFFAOYSA-N 1 0 239.363 2.198 40 0 BEABRO Fc1ccc(C[NH2+]C[C@@H]2CCCO2)s1 ZINC000256050104 387859093 /nfs/dbraw/zinc/85/90/93/387859093.db2.gz CRLYXWSYPKGLFN-QMMMGPOBSA-N 1 0 215.293 2.156 40 0 BEABRO CCCC[NH2+]Cc1c(C)nn(CC)c1F ZINC000256053473 387860216 /nfs/dbraw/zinc/86/02/16/387860216.db2.gz ROTORVYYYGDBGV-UHFFFAOYSA-N 1 0 213.300 2.240 40 0 BEABRO Cc1c(C[NH2+]Cc2ccc(F)s2)cnn1C ZINC000256054195 387862756 /nfs/dbraw/zinc/86/27/56/387862756.db2.gz VHPZETMMOZKGRN-UHFFFAOYSA-N 1 0 239.319 2.219 40 0 BEABRO CC(C)(C)OC(=O)NCC12CCC([NH3+])(CC1)C2 ZINC000306145477 387864442 /nfs/dbraw/zinc/86/44/42/387864442.db2.gz GMIIARYUGIXITJ-UHFFFAOYSA-N 1 0 240.347 2.173 40 0 BEABRO CN[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000050269994 387955116 /nfs/dbraw/zinc/95/51/16/387955116.db2.gz IATAHNRFLYIWSF-VIFPVBQESA-N 1 0 219.115 2.213 40 0 BEABRO CN[C@@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000050269920 387955484 /nfs/dbraw/zinc/95/54/84/387955484.db2.gz AWDHXXBQVMIWJJ-QMMMGPOBSA-N 1 0 219.115 2.213 40 0 BEABRO CC(C)c1ccc([C@@H]2CN(C)C[C@@H]2[NH3+])cc1 ZINC000217660900 388378825 /nfs/dbraw/zinc/37/88/25/388378825.db2.gz RZAQKRLKXBQPIV-KBPBESRZSA-N 1 0 218.344 2.166 40 0 BEABRO C[NH+](C)CC[C@@H](CCO)c1ccccc1 ZINC000217799516 388381610 /nfs/dbraw/zinc/38/16/10/388381610.db2.gz FMPPBHOTCAXSPO-ZDUSSCGKSA-N 1 0 207.317 2.104 40 0 BEABRO CCOc1ccccc1N1CC[NH2+][C@@H]2CCC[C@H]21 ZINC000218845742 388393225 /nfs/dbraw/zinc/39/32/25/388393225.db2.gz ILMRDPMGWTWVDY-CHWSQXEVSA-N 1 0 246.354 2.416 40 0 BEABRO [NH3+]C[C@H](F)c1ccccc1Br ZINC000107260820 388601077 /nfs/dbraw/zinc/60/10/77/388601077.db2.gz PSILMZYIDXSKAA-QMMMGPOBSA-N 1 0 218.069 2.418 40 0 BEABRO [NH3+]Cc1ccc(C(F)(F)F)nc1C1CC1 ZINC000252493475 388653215 /nfs/dbraw/zinc/65/32/15/388653215.db2.gz NDDBAXJJVMANBI-UHFFFAOYSA-N 1 0 216.206 2.437 40 0 BEABRO CC(C)Nc1ncc(C[NH2+]C2CCCC2)cn1 ZINC000062717603 388655691 /nfs/dbraw/zinc/65/56/91/388655691.db2.gz HNLRYGMVHSOQCX-UHFFFAOYSA-N 1 0 234.347 2.329 40 0 BEABRO CCC(C)(C)[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000062717826 388655996 /nfs/dbraw/zinc/65/59/96/388655996.db2.gz YCEIFVLDQPTFTE-UHFFFAOYSA-N 1 0 248.374 2.355 40 0 BEABRO c1ccc(CO[C@@H]2C[NH2+]CC[C@@]23CCCO3)cc1 ZINC000257202640 388698661 /nfs/dbraw/zinc/69/86/61/388698661.db2.gz AMSIXYZLRHTKJZ-CABCVRRESA-N 1 0 247.338 2.114 40 0 BEABRO C1C[C@@H]2NCC[N@@H+](C3CCCCC3)[C@H]2C1 ZINC000242495520 388817919 /nfs/dbraw/zinc/81/79/19/388817919.db2.gz GHGZLQZVXKLYNC-STQMWFEESA-N 1 0 208.349 2.145 40 0 BEABRO CN1C[C@@H]([NH3+])[C@@H](c2cccc3ccccc32)C1 ZINC000225606783 388839376 /nfs/dbraw/zinc/83/93/76/388839376.db2.gz ZFXMGGNUDJFQJW-HUUCEWRRSA-N 1 0 226.323 2.196 40 0 BEABRO Fc1ccc(CN2CC[NH2+][C@@H]3CCC[C@@H]32)cc1 ZINC000225715957 388840427 /nfs/dbraw/zinc/84/04/27/388840427.db2.gz LBRLCNDADHUNML-KGLIPLIRSA-N 1 0 234.318 2.152 40 0 BEABRO CCOc1ccccc1N1CC[NH2+][C@H]2CCC[C@@H]21 ZINC000225716978 388841333 /nfs/dbraw/zinc/84/13/33/388841333.db2.gz ILMRDPMGWTWVDY-STQMWFEESA-N 1 0 246.354 2.416 40 0 BEABRO Cc1cccc(N2CC[NH2+][C@H]3CCC[C@@H]32)c1 ZINC000225716387 388875060 /nfs/dbraw/zinc/87/50/60/388875060.db2.gz IRQBARHHMZTBRJ-KBPBESRZSA-N 1 0 216.328 2.326 40 0 BEABRO Cc1ccc(N2CC[NH2+][C@@H]3CCC[C@@H]32)c(F)c1 ZINC000225717759 389031692 /nfs/dbraw/zinc/03/16/92/389031692.db2.gz WCLVXNUMFSIOLP-OCCSQVGLSA-N 1 0 234.318 2.465 40 0 BEABRO Cc1ccccc1N1CC[NH2+][C@H]2CCC[C@H]21 ZINC000218843603 132290599 /nfs/dbraw/zinc/29/05/99/132290599.db2.gz IOMBDNVJKDTDRM-GXTWGEPZSA-N 1 0 216.328 2.326 40 0 BEABRO Cc1cccc(N2CC[NH2+][C@H]3CCC[C@H]32)c1 ZINC000218843803 132291049 /nfs/dbraw/zinc/29/10/49/132291049.db2.gz IRQBARHHMZTBRJ-UONOGXRCSA-N 1 0 216.328 2.326 40 0 BEABRO C[C@H]1CN(c2c(N)cccc2Cl)C[C@H](C)[NH2+]1 ZINC000008702460 132318965 /nfs/dbraw/zinc/31/89/65/132318965.db2.gz QCAINOAXOOQETG-IUCAKERBSA-N 1 0 239.750 2.109 40 0 BEABRO Cc1cccc(N2[C@@H](C)C[NH2+]C[C@@H]2C)c1C ZINC000011632630 132320003 /nfs/dbraw/zinc/32/00/03/132320003.db2.gz HZBPUJQEOWGYGS-RYUDHWBXSA-N 1 0 218.344 2.490 40 0 BEABRO [NH2+]=C(NCc1ccco1)c1ccccc1 ZINC000062988208 397815568 /nfs/dbraw/zinc/81/55/68/397815568.db2.gz ZFRSLSPTJJNNBW-UHFFFAOYSA-N 1 0 200.241 2.395 40 0 BEABRO COc1ccc2ccccc2c1[C@@H](C[NH3+])N(C)C ZINC000037290091 397996077 /nfs/dbraw/zinc/99/60/77/397996077.db2.gz AHHQXKZTEKRYQB-CYBMUJFWSA-N 1 0 244.338 2.410 40 0 BEABRO Cc1ccc([C@@H](C[NH3+])N2CCCC2)cc1C ZINC000037179866 397971608 /nfs/dbraw/zinc/97/16/08/397971608.db2.gz INJUAPOOOREKPT-CQSZACIVSA-N 1 0 218.344 2.399 40 0 BEABRO CC(C)C[NH2+]Cc1ccnn1C(F)F ZINC000256052736 167009438 /nfs/dbraw/zinc/00/94/38/167009438.db2.gz OLKSLMAQZVOYMA-UHFFFAOYSA-N 1 0 203.236 2.024 40 0 BEABRO CC(C)[NH2+]C[C@H]1CCc2ccccc2O1 ZINC000051230804 167115739 /nfs/dbraw/zinc/11/57/39/167115739.db2.gz JEZZVJUYDDHQMU-GFCCVEGCSA-N 1 0 205.301 2.378 40 0 BEABRO CC(C)[NH2+]Cc1cc(-c2ccco2)n(C)n1 ZINC000072226276 167116628 /nfs/dbraw/zinc/11/66/28/167116628.db2.gz BZSFMLODLHJUEG-UHFFFAOYSA-N 1 0 219.288 2.178 40 0 BEABRO CC(C)Nc1n[nH]c2nc([C@H]3CCC[NH2+]3)ccc12 ZINC000019695602 167150139 /nfs/dbraw/zinc/15/01/39/167150139.db2.gz PQHUWISIZFANOX-SNVBAGLBSA-N 1 0 245.330 2.203 40 0 BEABRO CC(C)OC(=O)[C@@H]1CC[NH2+][C@@H]1c1ccccc1 ZINC000004993873 167168201 /nfs/dbraw/zinc/16/82/01/167168201.db2.gz RWQUVOWLQIPGFC-CHWSQXEVSA-N 1 0 233.311 2.289 40 0 BEABRO CCC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000047495642 168232701 /nfs/dbraw/zinc/23/27/01/168232701.db2.gz YKEAZYLDKKEJQB-UHFFFAOYSA-N 1 0 246.354 2.309 40 0 BEABRO CCC(=O)NCc1ccccc1-n1ccnc1C ZINC000225274491 168233813 /nfs/dbraw/zinc/23/38/13/168233813.db2.gz NGVYZVDQUNEMFT-UHFFFAOYSA-N 1 0 243.310 2.207 40 0 BEABRO CC[NH2+][C@@H](Cc1ccccc1)[C@H]1CCCO1 ZINC000001708378 170146889 /nfs/dbraw/zinc/14/68/89/170146889.db2.gz DOFCLOLKFGSRTG-UONOGXRCSA-N 1 0 219.328 2.386 40 0 in-man BEABRO CC[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000038418564 170151279 /nfs/dbraw/zinc/15/12/79/170151279.db2.gz PAQAPNMIMNVLJD-CYBMUJFWSA-N 1 0 248.326 2.007 40 0 BEABRO CC[NH2+][C@H](C)C(=O)c1cccc(C)c1C ZINC000299817221 170157136 /nfs/dbraw/zinc/15/71/36/170157136.db2.gz MXBQQSYOKGUCTH-LLVKDONJSA-N 1 0 205.301 2.484 40 0 in-vitro BEABRO CC[NH2+][C@H](Cc1ccccc1)[C@H]1CCCO1 ZINC000001708379 170162629 /nfs/dbraw/zinc/16/26/29/170162629.db2.gz DOFCLOLKFGSRTG-ZIAGYGMSSA-N 1 0 219.328 2.386 40 0 in-man BEABRO CCOC(=O)c1ccc(NC2CC[NH2+]CC2)cc1 ZINC000002513005 170296489 /nfs/dbraw/zinc/29/64/89/170296489.db2.gz QPXQXQMXTZTVFA-UHFFFAOYSA-N 1 0 248.326 2.027 40 0 BEABRO CCOCCC[NH2+]Cc1cnn(CC(C)C)c1 ZINC000256050009 170381273 /nfs/dbraw/zinc/38/12/73/170381273.db2.gz CHHSQVULNDXESP-UHFFFAOYSA-N 1 0 239.363 2.055 40 0 BEABRO CCOCC[N@@H+]1CCCC[C@@H]1c1n[nH]cc1C ZINC000257260432 170397941 /nfs/dbraw/zinc/39/79/41/170397941.db2.gz LCUUZVGZSSCPFU-GFCCVEGCSA-N 1 0 237.347 2.282 40 0 BEABRO CCOc1cc2c(cc1OCC)CC[NH2+]CC2 ZINC000020286412 170530329 /nfs/dbraw/zinc/53/03/29/170530329.db2.gz KIWFZPCCQMINKJ-UHFFFAOYSA-N 1 0 235.327 2.172 40 0 BEABRO CCOc1ccc(N[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000218877599 170553825 /nfs/dbraw/zinc/55/38/25/170553825.db2.gz ADZZSJMQSBBVFR-CHWSQXEVSA-N 1 0 220.316 2.377 40 0 BEABRO CC[C@@H]([NH3+])Cc1c[nH]c2ccc(OC)cc12 ZINC000044399591 170865952 /nfs/dbraw/zinc/86/59/52/170865952.db2.gz JHTPCKWBFLMJMQ-SNVBAGLBSA-N 1 0 218.300 2.456 40 0 in-vitro BEABRO CC[C@@](C)(C(=O)OC)[N@@H+]1CCC[C@H](C)C1 ZINC000035655764 171163945 /nfs/dbraw/zinc/16/39/45/171163945.db2.gz MGVMHLJMIWYJRP-JQWIXIFHSA-N 1 0 213.321 2.060 40 0 BEABRO CCn1c(C[NH2+]CCOC)ccc1CC(C)C ZINC000226020351 172144277 /nfs/dbraw/zinc/14/42/77/172144277.db2.gz SYRDTOBIFDRLEY-UHFFFAOYSA-N 1 0 238.375 2.443 40 0 BEABRO C[N@@H+]1CCCC[C@H]1[C@](C)(O)c1ccccc1 ZINC000004777751 173009842 /nfs/dbraw/zinc/00/98/42/173009842.db2.gz LXDBGLKINLPWMY-UONOGXRCSA-N 1 0 219.328 2.378 40 0 BEABRO C[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000034300804 173048747 /nfs/dbraw/zinc/04/87/47/173048747.db2.gz AAWGPUXIHPRTHQ-JTQLQIEISA-N 1 0 215.300 2.372 40 0 BEABRO Cn1nccc1-c1cccc([C@@H]2CCC[N@@H+]2C)n1 ZINC000257244343 173060164 /nfs/dbraw/zinc/06/01/64/173060164.db2.gz IKWMNDVBUZZONA-ZDUSSCGKSA-N 1 0 242.326 2.249 40 0 BEABRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](OC(=O)c1ccco1)C2 ZINC000100745142 173204895 /nfs/dbraw/zinc/20/48/95/173204895.db2.gz GGHICGWVZFRCPF-GDNZZTSVSA-N 1 0 249.310 2.452 40 0 BEABRO C[NH2+]C1CCN(Cc2cccc(F)c2)CC1 ZINC000037242289 173323325 /nfs/dbraw/zinc/32/33/25/173323325.db2.gz NTSSFQBKYXOOFD-UHFFFAOYSA-N 1 0 222.307 2.010 40 0 BEABRO C[NH2+]CC(=O)C12CC3C[C@H](C1)CC[C@@H](C3)C2 ZINC000002834526 173324323 /nfs/dbraw/zinc/32/43/23/173324323.db2.gz QUKHPESKBXBATR-KCXRBIIJSA-N 1 0 221.344 2.381 40 0 BEABRO C[NH2+]CC(=O)Nc1ccc(Cl)cc1Cl ZINC000019422459 173334060 /nfs/dbraw/zinc/33/40/60/173334060.db2.gz IDZQYHOHXDRSRS-UHFFFAOYSA-N 1 0 233.098 2.151 40 0 BEABRO C[NH2+]C[C@@H]1C[C@H]1c1ccc(OC)c(OC)c1 ZINC000054588498 173372228 /nfs/dbraw/zinc/37/22/28/173372228.db2.gz VCUMKLYDJBVZEY-QWRGUYRKSA-N 1 0 221.300 2.027 40 0 BEABRO C[NH2+]C[C@H]1C[C@H]1c1cc(OC)ccc1OC ZINC000054588807 173382742 /nfs/dbraw/zinc/38/27/42/173382742.db2.gz PJAWTBPNBFIOAB-MWLCHTKSSA-N 1 0 221.300 2.027 40 0 BEABRO C[NH2+]Cc1cc(Cl)c(OC)cc1OC ZINC000062702156 173386551 /nfs/dbraw/zinc/38/65/51/173386551.db2.gz XJHIQZDOSXEUQV-UHFFFAOYSA-N 1 0 215.680 2.077 40 0 BEABRO C[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000034816124 173389950 /nfs/dbraw/zinc/38/99/50/173389950.db2.gz UZNPZOVRMPAJKC-UHFFFAOYSA-N 1 0 219.206 2.347 40 0 BEABRO C[NH2+]Cc1cccn1-c1cccc(OC)c1 ZINC000223688215 173390420 /nfs/dbraw/zinc/39/04/20/173390420.db2.gz MCECLROJIAOZJA-UHFFFAOYSA-N 1 0 216.284 2.205 40 0 BEABRO C[NH2+][C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000039951996 173432762 /nfs/dbraw/zinc/43/27/62/173432762.db2.gz NTHKMYRCEUJLOL-CYBMUJFWSA-N 1 0 248.326 2.007 40 0 BEABRO C[NH2+][C@@H]1CCc2c1cnn2C1CCCC1 ZINC000095098091 173438619 /nfs/dbraw/zinc/43/86/19/173438619.db2.gz UZOCPRYMBCCRRV-LLVKDONJSA-N 1 0 205.305 2.205 40 0 BEABRO C[NH2+][C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000053201423 173462223 /nfs/dbraw/zinc/46/22/23/173462223.db2.gz JOSDAGWYZQVTNP-ZDUSSCGKSA-N 1 0 222.307 2.010 40 0 BEABRO COC(=O)[C@H](C)C[NH2+]Cc1ccccc1Cl ZINC000035133561 173771549 /nfs/dbraw/zinc/77/15/49/173771549.db2.gz CMAHLTYYUYEYLO-SECBINFHSA-N 1 0 241.718 2.239 40 0 BEABRO COCCC[NH2+]Cc1ccn(C(C)C)c1 ZINC000223692308 174248019 /nfs/dbraw/zinc/24/80/19/174248019.db2.gz DUFILSKQYZZQJD-UHFFFAOYSA-N 1 0 210.321 2.195 40 0 BEABRO COCCC[NH2+]Cc1cccc(C)c1OC ZINC000095094814 174248563 /nfs/dbraw/zinc/24/85/63/174248563.db2.gz NSHAJPJERBKQQX-UHFFFAOYSA-N 1 0 223.316 2.130 40 0 BEABRO COCC[NH2+]Cc1cc(C2CC2)nn1C(C)C ZINC000256050197 174334966 /nfs/dbraw/zinc/33/49/66/174334966.db2.gz DCYZHOSIKPKOOJ-UHFFFAOYSA-N 1 0 237.347 2.077 40 0 BEABRO COc1cc(SC)c(OC)cc1C[C@H](C)[NH3+] ZINC000003652060 175012888 /nfs/dbraw/zinc/01/28/88/175012888.db2.gz COBYBOVXXDQRAU-QMMMGPOBSA-N 1 0 241.356 2.315 40 0 BEABRO COc1ccc(C[NH3+])c(OC(F)(F)F)c1 ZINC000036533753 175097807 /nfs/dbraw/zinc/09/78/07/175097807.db2.gz OELQVMJFQLWLKJ-UHFFFAOYSA-N 1 0 221.178 2.053 40 0 BEABRO COc1ccc(COC[C@H]2CCCC[NH2+]2)cc1 ZINC000043494953 175114342 /nfs/dbraw/zinc/11/43/42/175114342.db2.gz PRWTUNXDWSSXSI-CYBMUJFWSA-N 1 0 235.327 2.354 40 0 BEABRO COc1ccc(N[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000218682639 175155223 /nfs/dbraw/zinc/15/52/23/175155223.db2.gz DHUWBPYQXYJHQL-STQMWFEESA-N 1 0 220.316 2.377 40 0 BEABRO COc1ccc([C@@H](C[NH3+])OC(C)C)cc1F ZINC000062711808 175178522 /nfs/dbraw/zinc/17/85/22/175178522.db2.gz KUQMDZBRXMSTDW-GFCCVEGCSA-N 1 0 227.279 2.259 40 0 BEABRO COc1ccc([C@@H]([NH3+])c2ccccn2)cc1 ZINC000011737333 175180282 /nfs/dbraw/zinc/18/02/82/175180282.db2.gz YDPKXALAYGLYAZ-CYBMUJFWSA-N 1 0 214.268 2.138 40 0 BEABRO COc1ccc([C@H]2CCC[NH2+]C2)cc1OC ZINC000020417807 175194577 /nfs/dbraw/zinc/19/45/77/175194577.db2.gz GFRXXGINNMABOS-NSHDSACASA-N 1 0 221.300 2.171 40 0 BEABRO COc1ccc([C@H]2CCC[NH2+]C2)c(F)c1 ZINC000038539192 175194636 /nfs/dbraw/zinc/19/46/36/175194636.db2.gz QUFJICMSLHNMEG-VIFPVBQESA-N 1 0 209.264 2.301 40 0 BEABRO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH3+])cc1OC ZINC000036056707 175198196 /nfs/dbraw/zinc/19/81/96/175198196.db2.gz HYRHCZXUDHOWNL-JMJZKYOTSA-N 1 0 221.300 2.155 40 0 BEABRO COc1cccc([C@H]2CCC[NH2+]C2)c1F ZINC000038539368 175296253 /nfs/dbraw/zinc/29/62/53/175296253.db2.gz OYSAFOLZYIOWIQ-VIFPVBQESA-N 1 0 209.264 2.301 40 0 BEABRO COc1cccc([C@]2(O)CCCC[C@H]2C[NH3+])c1 ZINC000002525855 175297355 /nfs/dbraw/zinc/29/73/55/175297355.db2.gz QNPPIKMBCJUUTG-GXTWGEPZSA-N 1 0 235.327 2.032 40 0 in-vitro BEABRO COc1cccc2[nH]cc(CC[NH+](C)C)c21 ZINC000002539057 175297487 /nfs/dbraw/zinc/29/74/87/175297487.db2.gz HFYHBTWTJDAYGW-UHFFFAOYSA-N 1 0 218.300 2.281 40 0 in-vitro BEABRO COc1ccccc1[C@H](C[NH3+])N1CCC[C@H](C)C1 ZINC000038809152 175353594 /nfs/dbraw/zinc/35/35/94/175353594.db2.gz AWACISUOWGQNCH-JSGCOSHPSA-N 1 0 248.370 2.427 40 0 BEABRO C[C@@H]1CN(Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000071531991 176305886 /nfs/dbraw/zinc/30/58/86/176305886.db2.gz XHNYQZBPUPLYHZ-SNVBAGLBSA-N 1 0 224.735 2.134 40 0 BEABRO C[C@H](O)c1ccc[n+](Cc2ccccc2)c1 ZINC000001630757 177017302 /nfs/dbraw/zinc/01/73/02/177017302.db2.gz HBPPUEWELDEJTA-LBPRGKRZSA-N 1 0 214.288 2.076 40 0 BEABRO C[C@H](c1cccc(Cl)c1)N(C)CC[NH3+] ZINC000054416973 177036281 /nfs/dbraw/zinc/03/62/81/177036281.db2.gz OFRYUUCOXKWPLM-SECBINFHSA-N 1 0 212.724 2.292 40 0 BEABRO C[C@@H]1CCCN(C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000019202611 177099135 /nfs/dbraw/zinc/09/91/35/177099135.db2.gz KLFHRQOZJWCFOI-BETUJISGSA-N 1 0 210.365 2.408 40 0 BEABRO C[C@H]1CCC[C@@H]1OC[C@H](O)C[NH+]1CCCCC1 ZINC000010434794 177127538 /nfs/dbraw/zinc/12/75/38/177127538.db2.gz ZSEZJUFXRAHNSD-MJBXVCDLSA-N 1 0 241.375 2.038 40 0 BEABRO C[C@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2)CC[C@@H]1C ZINC000129544581 177151325 /nfs/dbraw/zinc/15/13/25/177151325.db2.gz QNBVJVUNGNGMDR-OBJOEFQTSA-N 1 0 246.354 2.191 40 0 BEABRO [NH3+]Cc1c[nH]c2cc(Br)ccc12 ZINC000020269180 487659457 /nfs/dbraw/zinc/65/94/57/487659457.db2.gz PNOJIHUEWHBLFW-UHFFFAOYSA-N 1 0 225.089 2.389 40 0 BEABRO CCC(=O)NCCC[N@H+]1CCCC[C@H]1CC ZINC000260764688 323126987 /nfs/dbraw/zinc/12/69/87/323126987.db2.gz LIICHGVIIAHLRV-GFCCVEGCSA-N 1 0 226.364 2.167 40 0 BEABRO CC[NH+](CC)CCNCc1ccccc1OC ZINC000019919158 520688348 /nfs/dbraw/zinc/68/83/48/520688348.db2.gz FRLUFYAWTAZMMX-UHFFFAOYSA-N 1 0 236.359 2.127 40 0 BEABRO C[NH2+][C@H]1CC[C@H](N(C)C(=O)OC(C)(C)C)CC1 ZINC000242687839 522505875 /nfs/dbraw/zinc/50/58/75/522505875.db2.gz UXCMOYRSKKQIHL-XYPYZODXSA-N 1 0 242.363 2.384 40 0 BEABRO C[C@@H]1C[C@H]2[C@H](C[C@H](C(F)(F)F)C[C@H]2[NH3+])O1 ZINC000252528003 525513964 /nfs/dbraw/zinc/51/39/64/525513964.db2.gz DXOFCJWXXLMFIJ-OKNNCHMLSA-N 1 0 223.238 2.080 40 0 BEABRO CC(C)c1nccc([C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)n1 ZINC000306127192 534911099 /nfs/dbraw/zinc/91/10/99/534911099.db2.gz FRHBUHQGGPMDPM-WCFLWFBJSA-N 1 0 247.342 2.040 40 0 BEABRO [NH2+]=C(Cc1cc(C(F)(F)F)ccc1F)NO ZINC000228915132 526815915 /nfs/dbraw/zinc/81/59/15/526815915.db2.gz LOKJSAUWUUGEHE-UHFFFAOYSA-N 1 0 236.168 2.343 40 0 BEABRO [NH2+]=C(Cc1ccc(C(F)(F)F)cc1F)NO ZINC000228913538 526816610 /nfs/dbraw/zinc/81/66/10/526816610.db2.gz PJXZTUOUVLIIMX-UHFFFAOYSA-N 1 0 236.168 2.343 40 0 BEABRO NC(=[NH2+])Cc1c(F)ccc(F)c1Cl ZINC000228909185 526817934 /nfs/dbraw/zinc/81/79/34/526817934.db2.gz AREJEJOTBMMLOO-UHFFFAOYSA-N 1 0 204.607 2.097 40 0 BEABRO C/C=C1\[C@@H]2C=C(C)[C@@]1([NH3+])c1ccc(=O)[nH]c1C2 ZINC000584578233 634016212 /nfs/dbraw/zinc/01/62/12/634016212.db2.gz IQHDXBSGUWMEJF-KDKBWWKWSA-N 1 0 228.295 2.020 40 0 BEABRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H]([NH3+])C[C@@H]21 ZINC000227728829 1166294943 /nfs/dbraw/zinc/29/49/43/1166294943.db2.gz ZLIAFMBGHSQFEC-VWYCJHECSA-N 1 0 240.347 2.123 40 0 BEABRO C[NH2+][C@H]1CN(Cc2ccccc2)CCC1C ZINC001560408768 991467722 /nfs/dbraw/zinc/46/77/22/991467722.db2.gz QCJSJDUOTKJMGS-AWEZNQCLSA-N 1 0 217.336 2.075 40 0 BEABRO CC(C)(C)OC(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC000071373360 398147844 /nfs/dbraw/zinc/14/78/44/398147844.db2.gz TWFKLLUSAMSECF-OLZOCXBDSA-N 1 0 240.347 2.315 40 0 BEABRO Cc1cc(CN2CC[C@H]([NH3+])C2)ccc1Cl ZINC000038538884 178002584 /nfs/dbraw/zinc/00/25/84/178002584.db2.gz LGXTWZRUOMKQSM-NSHDSACASA-N 1 0 224.735 2.181 40 0 BEABRO CC[NH+]1CCC(c2cc(N(C)C)nc(C)n2)CC1 ZINC000072361105 343979909 /nfs/dbraw/zinc/97/99/09/343979909.db2.gz YVQHGGLEQRRNJI-UHFFFAOYSA-N 1 0 248.374 2.050 40 0 BEABRO Clc1ccc2c(c1)[C@@H]1C[NH2+]CC[C@H]1N2 ZINC000071484542 398153868 /nfs/dbraw/zinc/15/38/68/398153868.db2.gz CTRPRBJZXMYEJI-GXSJLCMTSA-N 1 0 208.692 2.211 40 0 BEABRO Cc1ccc(-c2cc(CC[NH3+])[nH]n2)cc1C ZINC000072226120 178320005 /nfs/dbraw/zinc/32/00/05/178320005.db2.gz FUPZSLJBSAPPKD-UHFFFAOYSA-N 1 0 215.300 2.195 40 0 BEABRO Cc1ccc(-c2nnc([C@H]([NH3+])C(C)C)[nH]2)cc1 ZINC000095534784 178337487 /nfs/dbraw/zinc/33/74/87/178337487.db2.gz FTJJOVHIWRMMRZ-LLVKDONJSA-N 1 0 230.315 2.436 40 0 BEABRO OC[C@H](c1ccc(F)cc1F)[NH+]1CCCC1 ZINC000070452786 259313085 /nfs/dbraw/zinc/31/30/85/259313085.db2.gz WVMNFPHWMOQFTK-GFCCVEGCSA-N 1 0 227.254 2.094 40 0 BEABRO CCOC(=O)C[C@@H](C(C)C)[NH+](CC)CC ZINC000070824211 259314338 /nfs/dbraw/zinc/31/43/38/259314338.db2.gz WERXDZAZESUFLQ-NSHDSACASA-N 1 0 215.337 2.306 40 0 BEABRO CO[C@H](c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000072207902 259315258 /nfs/dbraw/zinc/31/52/58/259315258.db2.gz IMQNCYAFHAKTKT-QWHCGFSZSA-N 1 0 205.301 2.374 40 0 BEABRO CCC[C@]1(C)[NH2+]CCO[C@@]1(O)c1ccccc1 ZINC000001622226 342706222 /nfs/dbraw/zinc/70/62/22/342706222.db2.gz OUPZQTOWDCRSCT-KBPBESRZSA-N 1 0 235.327 2.010 40 0 BEABRO CCC[C@]1(C)[NH2+]CCO[C@]1(O)c1ccccc1 ZINC000001622224 342706309 /nfs/dbraw/zinc/70/63/09/342706309.db2.gz OUPZQTOWDCRSCT-UONOGXRCSA-N 1 0 235.327 2.010 40 0 BEABRO CC[NH+](CC)CCN(C#N)Cc1ccccc1 ZINC000001708770 342710425 /nfs/dbraw/zinc/71/04/25/342710425.db2.gz KUNDLAKNEOWDDT-UHFFFAOYSA-N 1 0 231.343 2.311 40 0 BEABRO Cc1nn(C)cc1C[NH2+]Cc1ccc(F)cc1 ZINC000002536051 342723171 /nfs/dbraw/zinc/72/31/71/342723171.db2.gz HCWRWDXQGNOZND-UHFFFAOYSA-N 1 0 233.290 2.157 40 0 BEABRO Cc1[nH]c(=S)ccc1[C@H]1CCCC[NH2+]1 ZINC000072218393 259318321 /nfs/dbraw/zinc/31/83/21/259318321.db2.gz IFRIRUFZJQLFDR-SNVBAGLBSA-N 1 0 208.330 2.493 40 0 BEABRO CCCO[C@@H](C)c1ccc([C@@H]([NH3+])CO)cc1 ZINC000072220201 259318878 /nfs/dbraw/zinc/31/88/78/259318878.db2.gz DFXQALFMJDURLV-GWCFXTLKSA-N 1 0 223.316 2.166 40 0 BEABRO Nc1[nH]c2cc([C@H](O)c3ccccc3)ccc2[nH+]1 ZINC000005117403 342758396 /nfs/dbraw/zinc/75/83/96/342758396.db2.gz IUOONJFBASBHAA-CYBMUJFWSA-N 1 0 239.278 2.227 40 0 in-vitro BEABRO CNc1cc(C)c([C@H]([NH3+])c2ccccc2)cn1 ZINC000072223066 259320901 /nfs/dbraw/zinc/32/09/01/259320901.db2.gz BLWYEBPBLPGCDB-CQSZACIVSA-N 1 0 227.311 2.480 40 0 BEABRO CC[C@H]([NH3+])c1cnc(N(C)CC)cc1C ZINC000072223242 259320967 /nfs/dbraw/zinc/32/09/67/259320967.db2.gz GGOSXMPHEPACAQ-NSHDSACASA-N 1 0 207.321 2.256 40 0 BEABRO COC(=O)[C@H](C(C)C)[N@@H+]1CCCC[C@H]1C ZINC000035655760 342804605 /nfs/dbraw/zinc/80/46/05/342804605.db2.gz LGVTXLWASYUXKR-MNOVXSKESA-N 1 0 213.321 2.058 40 0 BEABRO C[NH2+]Cc1ccc(NC(C)(C)C)nc1C ZINC000072225025 259322040 /nfs/dbraw/zinc/32/20/40/259322040.db2.gz WSIHPRBOFLZBKM-UHFFFAOYSA-N 1 0 207.321 2.320 40 0 BEABRO Cc1[nH]c(=O)ccc1[C@H]([NH3+])c1ccccc1 ZINC000072224809 259322078 /nfs/dbraw/zinc/32/20/78/259322078.db2.gz HWEYITIXZKVIAN-CYBMUJFWSA-N 1 0 214.268 2.144 40 0 BEABRO Cc1ccnc(C)c1[C@H](C)O[C@@H]1CC[NH2+]C1 ZINC000242495971 259326041 /nfs/dbraw/zinc/32/60/41/259326041.db2.gz GWAWNDBDTSHGCH-NWDGAFQWSA-N 1 0 220.316 2.138 40 0 BEABRO COc1ccc([C@H](C)N[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000242495502 259325927 /nfs/dbraw/zinc/32/59/27/259325927.db2.gz GFXBIRRVJPEUAA-GDLCADMTSA-N 1 0 234.343 2.226 40 0 BEABRO C1CCC([N@@H+]2CCN[C@H]3CCCC[C@H]32)C1 ZINC000218827850 398328563 /nfs/dbraw/zinc/32/85/63/398328563.db2.gz ZWKJNDZNZSTNMG-QWHCGFSZSA-N 1 0 208.349 2.145 40 0 BEABRO COc1ccc(OC[C@@H]([NH3+])C(C)C)cc1 ZINC000012183395 346888181 /nfs/dbraw/zinc/88/81/81/346888181.db2.gz BWZWNOWARPQHSO-GFCCVEGCSA-N 1 0 209.289 2.057 40 0 BEABRO COc1cc(C)c([C@H]2CCCC[NH2+]2)cn1 ZINC000072218029 259332818 /nfs/dbraw/zinc/33/28/18/259332818.db2.gz KWRPJCGNACVQII-LLVKDONJSA-N 1 0 206.289 2.213 40 0 BEABRO c1csc(-c2nnc(C3CC[NH2+]CC3)o2)c1 ZINC000019780348 342957044 /nfs/dbraw/zinc/95/70/44/342957044.db2.gz MAMOXRRYRPRWGB-UHFFFAOYSA-N 1 0 235.312 2.265 40 0 BEABRO CCOc1ccc([C@@H](C)[NH2+]CCOC)cc1 ZINC000019881551 342960733 /nfs/dbraw/zinc/96/07/33/342960733.db2.gz PIEIRCXDEORZFC-LLVKDONJSA-N 1 0 223.316 2.382 40 0 BEABRO CC[C@H]1[NH2+]CCC[C@H]1[C@H](O)c1ccccc1 ZINC000095095229 346909313 /nfs/dbraw/zinc/90/93/13/346909313.db2.gz HTUWJVPCNGAXBL-MGPQQGTHSA-N 1 0 219.328 2.498 40 0 BEABRO CN1c2ccccc2-c2ccccc2[C@@H]([NH3+])C1=O ZINC000042684429 362017202 /nfs/dbraw/zinc/01/72/02/362017202.db2.gz SWCIHHYNMAJVKX-CQSZACIVSA-N 1 0 238.290 2.330 40 0 BEABRO CC(C)C[C@@H]([NH3+])c1nc2ccccc2n1CCO ZINC000019734980 187252735 /nfs/dbraw/zinc/25/27/35/187252735.db2.gz HTEFSTNSHIIFFW-LLVKDONJSA-N 1 0 247.342 2.075 40 0 BEABRO COC(=O)[C@H](C)C[NH2+][C@@H](C)c1ccccc1 ZINC000034591102 343275443 /nfs/dbraw/zinc/27/54/43/343275443.db2.gz KIJCPIKSICZNKI-MNOVXSKESA-N 1 0 221.300 2.146 40 0 BEABRO CC(C)[NH+]1CCC(O)(c2cccs2)CC1 ZINC000040237551 343320550 /nfs/dbraw/zinc/32/05/50/343320550.db2.gz NAMUZISVJINDKF-UHFFFAOYSA-N 1 0 225.357 2.440 40 0 BEABRO CCCC[N@H+](CC)CCC(=O)OCC ZINC000036984790 343329495 /nfs/dbraw/zinc/32/94/95/343329495.db2.gz DFODMGBOXJGZTI-UHFFFAOYSA-N 1 0 201.310 2.062 40 0 BEABRO COC(=O)C[C@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000035747501 343303378 /nfs/dbraw/zinc/30/33/78/343303378.db2.gz QRAFHBCFBWYWHQ-QWRGUYRKSA-N 1 0 221.300 2.289 40 0 BEABRO COC(=O)C[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC000035748467 343303810 /nfs/dbraw/zinc/30/38/10/343303810.db2.gz MWYNARUHGOETBJ-NSHDSACASA-N 1 0 221.300 2.036 40 0 BEABRO CCN(Cc1ccccc1Cl)C(=O)[C@H](C)[NH3+] ZINC000037808784 343312684 /nfs/dbraw/zinc/31/26/84/343312684.db2.gz SUFJDIZOCSCBHQ-VIFPVBQESA-N 1 0 240.734 2.036 40 0 BEABRO C[C@H]([NH3+])C(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000038101385 343316739 /nfs/dbraw/zinc/31/67/39/343316739.db2.gz WDXGFCJXRXEWOQ-IUCAKERBSA-N 1 0 240.734 2.207 40 0 BEABRO CC(C)(C)OC(=O)N1CCC[C@H](CCC[NH3+])C1 ZINC000044280119 343497096 /nfs/dbraw/zinc/49/70/96/343497096.db2.gz AJTYGHSVRUDXKS-NSHDSACASA-N 1 0 242.363 2.372 40 0 BEABRO CC[NH2+][C@H](C(=O)c1ccc2c(c1)OCO2)C(C)C ZINC000071564209 343710493 /nfs/dbraw/zinc/71/04/93/343710493.db2.gz HJTNZFICUBPNAQ-ZDUSSCGKSA-N 1 0 249.310 2.232 40 0 in-vitro BEABRO O=C(C[NH2+]C1CC1)Nc1ccc(Cl)cc1 ZINC000019280404 347003525 /nfs/dbraw/zinc/00/35/25/347003525.db2.gz FOOZGTYZKQYJPE-UHFFFAOYSA-N 1 0 224.691 2.031 40 0 BEABRO CCCC[N@@H+]1CCC[C@]2(CCC(=O)N2C)CC1 ZINC000585100526 344131455 /nfs/dbraw/zinc/13/14/55/344131455.db2.gz MGTUTLXKMSWQLP-AWEZNQCLSA-N 1 0 238.375 2.263 40 0 BEABRO CC[N@@H+]1CCCC[C@@H]1c1c[nH]c(=O)c(C)c1 ZINC000072217973 344513839 /nfs/dbraw/zinc/51/38/39/344513839.db2.gz VXJSSAGJNZMHDN-GFCCVEGCSA-N 1 0 220.316 2.230 40 0 BEABRO Cc1cc([C@H]2CCC[N@H+]2CC(C)C)c[nH]c1=O ZINC000072217962 344514074 /nfs/dbraw/zinc/51/40/74/344514074.db2.gz BHGSUFHXYHMOHZ-CYBMUJFWSA-N 1 0 234.343 2.476 40 0 BEABRO C1CCC(c2noc([C@H]3CCC[NH2+]C3)n2)C1 ZINC000037756532 344579280 /nfs/dbraw/zinc/57/92/80/344579280.db2.gz ZKVBEWWAQDHDQW-JTQLQIEISA-N 1 0 221.304 2.194 40 0 BEABRO Cc1cccc(CN2CCC([NH3+])CC2)c1F ZINC000038539606 179073889 /nfs/dbraw/zinc/07/38/89/179073889.db2.gz JMZPJIOMKJRZAY-UHFFFAOYSA-N 1 0 222.307 2.057 40 0 BEABRO Cc1cccc(C[N@H+]2CC[C@H]3C[C@H](C)O[C@@H]3C2)n1 ZINC000096046016 179082700 /nfs/dbraw/zinc/08/27/00/179082700.db2.gz GDUVXQZJDDWPBZ-KCQAQPDRSA-N 1 0 246.354 2.389 40 0 BEABRO C[NH+]1CCC(CNc2ccccc2)CC1 ZINC000001585571 346450511 /nfs/dbraw/zinc/45/05/11/346450511.db2.gz YWUZBFKHZPCISY-UHFFFAOYSA-N 1 0 204.317 2.440 40 0 BEABRO Cc1cc(C[NH+](C)C)n(-c2ccccc2)n1 ZINC000005793225 346630333 /nfs/dbraw/zinc/63/03/33/346630333.db2.gz DYNAQCHWXOVFJL-UHFFFAOYSA-N 1 0 215.300 2.242 40 0 BEABRO Cc1cccc(OCC[NH2+]C2CC2)c1C ZINC000020525139 179168400 /nfs/dbraw/zinc/16/84/00/179168400.db2.gz IIWSJXKLWRENKR-UHFFFAOYSA-N 1 0 205.301 2.434 40 0 BEABRO Cc1cccc([C@@H](CO)[NH+]2CCCC2)c1 ZINC000041213739 179185135 /nfs/dbraw/zinc/18/51/35/179185135.db2.gz DRBFZOZCKPPCRT-CYBMUJFWSA-N 1 0 205.301 2.124 40 0 BEABRO Cc1cccc([C@@H]2CCCN2CC[NH3+])c1 ZINC000032553276 179190097 /nfs/dbraw/zinc/19/00/97/179190097.db2.gz XNAJNSLEVJKKIS-ZDUSSCGKSA-N 1 0 204.317 2.091 40 0 BEABRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C[NH3+] ZINC000097759026 347285677 /nfs/dbraw/zinc/28/56/77/347285677.db2.gz JMUPBYYAOYIPQE-GHMZBOCLSA-N 1 0 242.363 2.228 40 0 BEABRO Cc1cccc([C@H](CCO)CC[NH+](C)C)c1 ZINC000217801013 179198334 /nfs/dbraw/zinc/19/83/34/179198334.db2.gz AUKGLQXQESVUAL-ZDUSSCGKSA-N 1 0 221.344 2.413 40 0 BEABRO Fc1cc(Cl)ccc1OCC1C[NH2+]C1 ZINC000038580873 348714803 /nfs/dbraw/zinc/71/48/03/348714803.db2.gz GZENINOGFWTIPW-UHFFFAOYSA-N 1 0 215.655 2.077 40 0 BEABRO Cc1ccc(F)cc1C[NH+]1CCC(O)CC1 ZINC000038539890 348705310 /nfs/dbraw/zinc/70/53/10/348705310.db2.gz DYFMFSOBLXAJSI-UHFFFAOYSA-N 1 0 223.291 2.091 40 0 BEABRO CC[C@@H](C)[NH2+]Cc1cnc(NC(C)C)nc1 ZINC000062717619 259407510 /nfs/dbraw/zinc/40/75/10/259407510.db2.gz JBYQRZHVUZENDP-SNVBAGLBSA-N 1 0 222.336 2.185 40 0 BEABRO C([C@@H]1CCCC[NH2+]1)N1CCCCCCC1 ZINC000020266054 349256780 /nfs/dbraw/zinc/25/67/80/349256780.db2.gz NOLHLBOSSOJEMB-ZDUSSCGKSA-N 1 0 210.365 2.395 40 0 BEABRO Cc1nc([C@H]2CCC[N@@H+]2C2CCCC2)cc(=O)[nH]1 ZINC000072356827 180057737 /nfs/dbraw/zinc/05/77/37/180057737.db2.gz BAOISJKRASXGEE-CYBMUJFWSA-N 1 0 247.342 2.158 40 0 BEABRO Cc1c(Cl)cccc1N1CC[C@H]([NH3+])C1 ZINC000033427019 350234934 /nfs/dbraw/zinc/23/49/34/350234934.db2.gz AXZGZJZEGHACPZ-VIFPVBQESA-N 1 0 210.708 2.186 40 0 BEABRO Cc1nccn1CCC[NH2+]C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC000195537167 180245273 /nfs/dbraw/zinc/24/52/73/180245273.db2.gz BKLYYGDFUQLEKM-RRFJBIMHSA-N 1 0 245.370 2.383 40 0 BEABRO [NH3+][C@@H]1CCN(Cc2cccc(F)c2Cl)C1 ZINC000038538766 362959824 /nfs/dbraw/zinc/95/98/24/362959824.db2.gz KXRGIHZTJQYJTE-SECBINFHSA-N 1 0 228.698 2.012 40 0 BEABRO Cc1oc(-c2cccc(C)c2)nc1C[NH3+] ZINC000041211085 350577871 /nfs/dbraw/zinc/57/78/71/350577871.db2.gz ISPBCBBZYAKIFX-UHFFFAOYSA-N 1 0 202.257 2.417 40 0 BEABRO CC(C)c1ccc([C@H](CO)[NH+](C)C)cc1 ZINC000041216299 350578333 /nfs/dbraw/zinc/57/83/33/350578333.db2.gz CABFXVCMCGNFKO-ZDUSSCGKSA-N 1 0 207.317 2.405 40 0 BEABRO Cc1noc(C)c1-c1nccc([C@H]2CCC[NH2+]2)n1 ZINC000257278080 180462418 /nfs/dbraw/zinc/46/24/18/180462418.db2.gz OARRWAPLUQQXPL-SNVBAGLBSA-N 1 0 244.298 2.173 40 0 BEABRO [NH3+]C[C@H](C[C@H](O)c1ccccc1)C(F)(F)F ZINC000256053201 351033648 /nfs/dbraw/zinc/03/36/48/351033648.db2.gz QMLDBSDPWZVVKE-UWVGGRQHSA-N 1 0 233.233 2.247 40 0 BEABRO [NH3+]C[C@H](C[C@@H](O)c1ccccc1)C(F)(F)F ZINC000256053202 351033857 /nfs/dbraw/zinc/03/38/57/351033857.db2.gz QMLDBSDPWZVVKE-VHSXEESVSA-N 1 0 233.233 2.247 40 0 BEABRO Clc1ccc(CN[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000072203695 180580557 /nfs/dbraw/zinc/58/05/57/180580557.db2.gz ZLNSBBRQALYJSN-SNVBAGLBSA-N 1 0 245.153 2.445 40 0 BEABRO CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000306936831 351361097 /nfs/dbraw/zinc/36/10/97/351361097.db2.gz KAVQNCGGFFBHEO-RTCCRHLQSA-N 1 0 240.347 2.042 40 0 BEABRO CC(C)(C)n1nccc1[C@@H]1CCC[NH2+]C1 ZINC000075869864 187963207 /nfs/dbraw/zinc/96/32/07/187963207.db2.gz ALGBEHHQUQHNGO-SNVBAGLBSA-N 1 0 207.321 2.105 40 0 BEABRO CC(C)[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000072348451 188306794 /nfs/dbraw/zinc/30/67/94/188306794.db2.gz GJQVBCIGTGUMFV-LLVKDONJSA-N 1 0 205.305 2.064 40 0 BEABRO CC(C)N1CC[NH+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000197185073 188354717 /nfs/dbraw/zinc/35/47/17/188354717.db2.gz ZUYPESQMYNAILG-ZNMIVQPWSA-N 1 0 234.387 2.225 40 0 BEABRO Fc1cccc(F)c1C[n+]1ccccc1 ZINC000000159281 181000675 /nfs/dbraw/zinc/00/06/75/181000675.db2.gz VKFLGDXQVACOEQ-UHFFFAOYSA-N 1 0 206.215 2.301 40 0 BEABRO Fc1ccccc1-c1nnc([C@H]2CCC[NH2+]C2)o1 ZINC000032102800 181009195 /nfs/dbraw/zinc/00/91/95/181009195.db2.gz SOMLLHTWKDKVKX-VIFPVBQESA-N 1 0 247.273 2.343 40 0 BEABRO Fc1ccccc1-c1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000062257531 181009615 /nfs/dbraw/zinc/00/96/15/181009615.db2.gz ZFHFNSDFNOKROG-SECBINFHSA-N 1 0 247.273 2.343 40 0 BEABRO Fc1cncc(-c2noc([C@H]3CCCC[NH2+]3)n2)c1 ZINC000095096659 181019138 /nfs/dbraw/zinc/01/91/38/181019138.db2.gz YLWRSEFEVJATMX-SNVBAGLBSA-N 1 0 248.261 2.085 40 0 BEABRO Fc1cncc(-c2noc([C@@H]3CCCC[NH2+]3)n2)c1 ZINC000095096658 181020032 /nfs/dbraw/zinc/02/00/32/181020032.db2.gz YLWRSEFEVJATMX-JTQLQIEISA-N 1 0 248.261 2.085 40 0 BEABRO NC(=[NH2+])SCc1ccc(F)cc1F ZINC000071980730 181192852 /nfs/dbraw/zinc/19/28/52/181192852.db2.gz SHCFYUIICQEVGD-UHFFFAOYSA-N 1 0 202.229 2.091 40 0 BEABRO NC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCCCC1 ZINC000037969678 181277417 /nfs/dbraw/zinc/27/74/17/181277417.db2.gz AYKKWNCKLXNGQW-AWEZNQCLSA-N 1 0 246.354 2.005 40 0 BEABRO Fc1cccc(COC[C@H]2CCCC[NH2+]2)c1 ZINC000028521892 357151797 /nfs/dbraw/zinc/15/17/97/357151797.db2.gz ZTGDJFVNWWUSLN-CYBMUJFWSA-N 1 0 223.291 2.484 40 0 BEABRO Cc1c(C[NH2+]Cc2ccccc2)cnn1C ZINC000002536053 357336277 /nfs/dbraw/zinc/33/62/77/357336277.db2.gz OSVIVUOXDAUDMR-UHFFFAOYSA-N 1 0 215.300 2.018 40 0 BEABRO CC(C)(O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000004203901 357337255 /nfs/dbraw/zinc/33/72/55/357337255.db2.gz BESBVPBWOJMGFI-CYBMUJFWSA-N 1 0 219.328 2.279 40 0 BEABRO CN1[C@@H]2CCCC[C@@H]2[N@@H+](C)[C@H]2CCCC[C@@H]21 ZINC000169657688 360780705 /nfs/dbraw/zinc/78/07/05/360780705.db2.gz LODHMOLPIMTBHV-XDQVBPFNSA-N 1 0 222.376 2.486 40 0 BEABRO CNC(=O)C[C@H](c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000072208328 259523609 /nfs/dbraw/zinc/52/36/09/259523609.db2.gz GINGSGJMUDUGCH-KGLIPLIRSA-N 1 0 246.354 2.048 40 0 BEABRO CCOC(=O)[C@@H]1CC[NH2+][C@H]1c1ccc(F)cc1 ZINC000257197972 370683382 /nfs/dbraw/zinc/68/33/82/370683382.db2.gz OVVYFUJXQSDWMI-NEPJUHHUSA-N 1 0 237.274 2.039 40 0 BEABRO CCOC(=O)[C@H]1CC[NH2+][C@H]1c1ccc(F)cc1 ZINC000257197974 370683485 /nfs/dbraw/zinc/68/34/85/370683485.db2.gz OVVYFUJXQSDWMI-RYUDHWBXSA-N 1 0 237.274 2.039 40 0 BEABRO c1cnc(NC2CC2)c([C@@H]2CCC[NH2+]2)c1 ZINC000072213700 259526875 /nfs/dbraw/zinc/52/68/75/259526875.db2.gz GYAMALRUFHABKL-NSHDSACASA-N 1 0 203.289 2.080 40 0 BEABRO [NH3+]C12CC(c3nc4ccccc4s3)(C1)C2 ZINC000258834007 181336728 /nfs/dbraw/zinc/33/67/28/181336728.db2.gz NTIFKVLRDGDNRA-UHFFFAOYSA-N 1 0 216.309 2.429 40 0 BEABRO CC1(C)[C@H]2CC[C@]1(C)[C@@H]([C@@H](C[NH3+])CO)C2 ZINC000225467374 370767380 /nfs/dbraw/zinc/76/73/80/370767380.db2.gz OCNAGPQNZVNTGV-MEWQQHAOSA-N 1 0 211.349 2.016 40 0 BEABRO [NH3+]CC1(c2cccc(OC(F)F)c2)CC1 ZINC000089262721 181363185 /nfs/dbraw/zinc/36/31/85/181363185.db2.gz UYODAACALKCSSU-UHFFFAOYSA-N 1 0 213.227 2.278 40 0 BEABRO [NH3+]CCN1CCCCCc2ccccc21 ZINC000001637013 181391569 /nfs/dbraw/zinc/39/15/69/181391569.db2.gz OCMVPNDICGOECH-UHFFFAOYSA-N 1 0 204.317 2.178 40 0 BEABRO [NH3+]CCNCc1ccc(Cl)c(Cl)c1 ZINC000037712267 181397980 /nfs/dbraw/zinc/39/79/80/181397980.db2.gz CWRHTFCUOFCTBJ-UHFFFAOYSA-N 1 0 219.115 2.042 40 0 BEABRO [NH3+]CCOCc1cc(Cl)ccc1Cl ZINC000083698705 181399550 /nfs/dbraw/zinc/39/95/50/181399550.db2.gz BTSAWROYLDQVOR-UHFFFAOYSA-N 1 0 220.099 2.469 40 0 BEABRO Cc1nc2c(N)cc(C(=O)OC(C)C)cn2c1C ZINC000138504141 368347152 /nfs/dbraw/zinc/34/71/52/368347152.db2.gz RJUBUKNWPYQPPJ-UHFFFAOYSA-N 1 0 247.298 2.099 40 0 BEABRO c1cncc(C[C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000205684432 368356572 /nfs/dbraw/zinc/35/65/72/368356572.db2.gz ZIXCJUFTDFKIFZ-MGPQQGTHSA-N 1 0 216.328 2.260 40 0 BEABRO Cc1c[nH]c([C@H]2CC[N@H+](Cc3ccncc3)C2)n1 ZINC000205694749 368358214 /nfs/dbraw/zinc/35/82/14/368358214.db2.gz ZDDBLBDIIDRJRV-ZDUSSCGKSA-N 1 0 242.326 2.103 40 0 BEABRO [NH3+]Cc1ccc(OCC2CCOCC2)c(F)c1 ZINC000052145869 181485987 /nfs/dbraw/zinc/48/59/87/181485987.db2.gz RJFGPVIDLGRIQM-UHFFFAOYSA-N 1 0 239.290 2.090 40 0 BEABRO [NH3+][C@H]1C(=O)N(c2ccccc2)C12CCCCC2 ZINC000256055059 370639034 /nfs/dbraw/zinc/63/90/34/370639034.db2.gz YYNSQSDLHOMIHV-LBPRGKRZSA-N 1 0 230.311 2.063 40 0 BEABRO [NH3+][C@@H]1CCC[C@@H]1Nc1ccc(F)cc1F ZINC000218883784 181582104 /nfs/dbraw/zinc/58/21/04/181582104.db2.gz KSZVCASZTHSWLG-KOLCDFICSA-N 1 0 212.243 2.257 40 0 BEABRO C[C@H](O[C@@H]1CC[NH2+]C1)c1cncc(Cl)c1 ZINC000252483215 259547400 /nfs/dbraw/zinc/54/74/00/259547400.db2.gz DXKABCCNKZTURV-GZMMTYOYSA-N 1 0 226.707 2.175 40 0 BEABRO C[C@H]1C[C@@H]2[C@@H](C[C@@H](C(F)(F)F)C[C@@H]2C[NH3+])O1 ZINC000225761808 371574097 /nfs/dbraw/zinc/57/40/97/371574097.db2.gz FWJZILYJODZJNY-CVPUBMOQSA-N 1 0 237.265 2.327 40 0 BEABRO C[C@H]1O[C@@H]2C[C@@H](C(F)(F)F)C[C@@H]([NH3+])[C@@H]2[C@@H]1C ZINC000225763256 371574928 /nfs/dbraw/zinc/57/49/28/371574928.db2.gz CZVKMVVAGFXBBQ-PXSBVEPCSA-N 1 0 237.265 2.326 40 0 BEABRO O=C(Nc1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000004313164 182354652 /nfs/dbraw/zinc/35/46/52/182354652.db2.gz PUINEBBHYSHKBF-SNVBAGLBSA-N 1 0 224.691 2.031 40 0 BEABRO CCC[N@H+](C)C[C@@H]1Cc2ccccc2N1 ZINC000087655862 169077801 /nfs/dbraw/zinc/07/78/01/169077801.db2.gz LAIZUVWRYCXFGQ-LBPRGKRZSA-N 1 0 204.317 2.365 40 0 BEABRO O[C@H](CC[NH+]1CCCC1)c1ccccc1 ZINC000039234104 183218885 /nfs/dbraw/zinc/21/88/85/183218885.db2.gz OXWWUXGRBQMMFI-CYBMUJFWSA-N 1 0 205.301 2.206 40 0 BEABRO O[C@H](c1ccc2ccccc2n1)[C@@H]1CCCC[NH2+]1 ZINC000001730923 183229522 /nfs/dbraw/zinc/22/95/22/183229522.db2.gz LSNMFZBXDRDBIG-ZFWWWQNUSA-N 1 0 242.322 2.410 40 0 BEABRO O[C@](c1ccccc1)(C1CC1)C1CC[NH2+]CC1 ZINC000001866188 183215142 /nfs/dbraw/zinc/21/51/42/183215142.db2.gz XLLQNRJIPLGCJP-OAHLLOKOSA-N 1 0 231.339 2.284 40 0 BEABRO c1cc(-c2ccc3c(C4C[NH2+]C4)ncn3c2)co1 ZINC000096260733 183328556 /nfs/dbraw/zinc/32/85/56/183328556.db2.gz RMUFOJJYMOGXSB-UHFFFAOYSA-N 1 0 239.278 2.281 40 0 BEABRO c1cc(-c2nnc([C@H]3CCC[NH2+]3)o2)cs1 ZINC000039956195 183331926 /nfs/dbraw/zinc/33/19/26/183331926.db2.gz IOVJLPYQJBAEOE-MRVPVSSYSA-N 1 0 221.285 2.223 40 0 BEABRO c1cc(C[NH+]2CCC3(COC3)CC2)cs1 ZINC000096051212 183339486 /nfs/dbraw/zinc/33/94/86/183339486.db2.gz ZBWBPGWJIQYTET-UHFFFAOYSA-N 1 0 223.341 2.361 40 0 BEABRO c1cc(CN2CC[C@H]3[C@H]2CC[N@H+]3CC2CC2)co1 ZINC000096063946 183346034 /nfs/dbraw/zinc/34/60/34/183346034.db2.gz SWRBDSBQBYKFNP-LSDHHAIUSA-N 1 0 246.354 2.338 40 0 BEABRO CCC[N@@H+]1CCc2ncnc(NC(C)C)c2CC1 ZINC000096255537 169209123 /nfs/dbraw/zinc/20/91/23/169209123.db2.gz WIEUQQGNEJLXJO-UHFFFAOYSA-N 1 0 248.374 2.108 40 0 BEABRO c1cc([C@@H]2CCC[NH2+]C2)cc2c1OCC2 ZINC000038539277 183371020 /nfs/dbraw/zinc/37/10/20/183371020.db2.gz QIXIYHYEHXOPAE-GFCCVEGCSA-N 1 0 203.285 2.089 40 0 BEABRO c1cc2c3c(c1)C[NH2+]CCN3[C@@H]1CCC[C@H]21 ZINC000003986755 183372903 /nfs/dbraw/zinc/37/29/03/183372903.db2.gz XOSKJKGKWRIMGV-DGCLKSJQSA-N 1 0 214.312 2.246 40 0 in-vitro BEABRO c1ccc(-c2nnc([C@@H]3CCC[NH2+]3)o2)cc1 ZINC000032013050 183384623 /nfs/dbraw/zinc/38/46/23/183384623.db2.gz QLUMYXKABPBJQN-JTQLQIEISA-N 1 0 215.256 2.161 40 0 BEABRO c1cc([C@@H]2CCCC[N@H+]2CC2CCOCC2)n[nH]1 ZINC000257290696 183360608 /nfs/dbraw/zinc/36/06/08/183360608.db2.gz QDZIVYFOCCMNDA-AWEZNQCLSA-N 1 0 249.358 2.363 40 0 BEABRO c1ccc(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000169726650 183390825 /nfs/dbraw/zinc/39/08/25/183390825.db2.gz GOQCAAHUJGRBRW-VGPLMAKISA-N 1 0 202.301 2.155 40 0 BEABRO CCC[NH2+]Cc1ccc(Br)nc1 ZINC000083356459 169266818 /nfs/dbraw/zinc/26/68/18/169266818.db2.gz VBTWLUWGPCDDQD-UHFFFAOYSA-N 1 0 229.121 2.344 40 0 BEABRO CCC[NH2+]Cc1nc2cc(C)ccc2[nH]1 ZINC000022122039 169269736 /nfs/dbraw/zinc/26/97/36/169269736.db2.gz UVLJVOPFKHSLIE-UHFFFAOYSA-N 1 0 203.289 2.371 40 0 BEABRO c1ccc(CN2CC[NH2+][C@@H]3CCC[C@H]32)cc1 ZINC000218842826 183399804 /nfs/dbraw/zinc/39/98/04/183399804.db2.gz OMWCMAVXTQXEHA-ZIAGYGMSSA-N 1 0 216.328 2.013 40 0 BEABRO c1ccc2sc(N[C@H]3CCC[NH2+]C3)nc2c1 ZINC000040434214 183462447 /nfs/dbraw/zinc/46/24/47/183462447.db2.gz RFCWVOGYAWHRIK-VIFPVBQESA-N 1 0 233.340 2.460 40 0 BEABRO CCC[C@@H](C(=O)OC)[N@@H+]1CCCC[C@@H]1C ZINC000022538658 169346635 /nfs/dbraw/zinc/34/66/35/169346635.db2.gz XCUSXHHSDBPAFM-QWRGUYRKSA-N 1 0 213.321 2.203 40 0 BEABRO c1csc(-c2cnc3n2CC[C@@]32CC[NH2+]C2)c1 ZINC000306125226 183514906 /nfs/dbraw/zinc/51/49/06/183514906.db2.gz CJXZLONDONGPAP-CYBMUJFWSA-N 1 0 245.351 2.246 40 0 BEABRO CCCC[NH2+]CCNCc1ccccc1 ZINC000066184120 383849660 /nfs/dbraw/zinc/84/96/60/383849660.db2.gz VPGBCOLYZXVUJU-UHFFFAOYSA-N 1 0 206.333 2.166 40 0 BEABRO C[NH+](C)CCC(=O)c1ccccc1Cl ZINC000001691052 383923933 /nfs/dbraw/zinc/92/39/33/383923933.db2.gz MERTXJZVANXCIY-UHFFFAOYSA-N 1 0 211.692 2.474 40 0 BEABRO CCN(CC[NH3+])Cc1ccccc1Cl ZINC000039318903 383901690 /nfs/dbraw/zinc/90/16/90/383901690.db2.gz CTJGJTKQOVVAKU-UHFFFAOYSA-N 1 0 212.724 2.121 40 0 BEABRO C[C@@H](C[NH3+])Cc1ccc(OC(F)F)cc1 ZINC000089263506 383957259 /nfs/dbraw/zinc/95/72/59/383957259.db2.gz LYUHRGLMCOWUGA-MRVPVSSYSA-N 1 0 215.243 2.425 40 0 BEABRO c1cnc(Nc2cccc([C@H]3CCC[NH2+]3)n2)nc1 ZINC000072376493 384025891 /nfs/dbraw/zinc/02/58/91/384025891.db2.gz FJKZICSNLVSHPH-SNVBAGLBSA-N 1 0 241.298 2.040 40 0 BEABRO CCOC(=O)C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000070823504 384044105 /nfs/dbraw/zinc/04/41/05/384044105.db2.gz DCNSLTXFAAPJQJ-NSHDSACASA-N 1 0 213.321 2.060 40 0 BEABRO CC[C@H](C[NH+](C)C)C(=O)c1ccccc1 ZINC000004765060 384080237 /nfs/dbraw/zinc/08/02/37/384080237.db2.gz OLCRURYNYDPVOI-LLVKDONJSA-N 1 0 205.301 2.457 40 0 BEABRO CCN(C[C@H]1CCCC[NH2+]1)C(=O)OC(C)(C)C ZINC000079437605 384146855 /nfs/dbraw/zinc/14/68/55/384146855.db2.gz ZAOIIMCNCUNJQE-LLVKDONJSA-N 1 0 242.363 2.386 40 0 BEABRO [NH3+]Cc1cn(Cc2ccccc2Cl)cn1 ZINC000071524055 384231637 /nfs/dbraw/zinc/23/16/37/384231637.db2.gz ULTGLHLWGHLDBX-UHFFFAOYSA-N 1 0 221.691 2.044 40 0 BEABRO Cc1noc([C@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000072356833 384209610 /nfs/dbraw/zinc/20/96/10/384209610.db2.gz WBSNTULMMPGVAN-JTQLQIEISA-N 1 0 221.304 2.110 40 0 BEABRO CC(C)[N@@H+]1CCO[C@H](c2cc3cccnc3[nH]2)C1 ZINC000072381400 384217173 /nfs/dbraw/zinc/21/71/73/384217173.db2.gz IYDIYSWPPOSSOL-ZDUSSCGKSA-N 1 0 245.326 2.345 40 0 BEABRO O=C1Nc2ccccc2CN1CC1CC[NH2+]CC1 ZINC000082309802 384221621 /nfs/dbraw/zinc/22/16/21/384221621.db2.gz CBXLWGDRNJSRGC-UHFFFAOYSA-N 1 0 245.326 2.034 40 0 BEABRO C[NH+](C)CCC(=O)c1ccc2c(c1)CCC2 ZINC000000005224 384273566 /nfs/dbraw/zinc/27/35/66/384273566.db2.gz ZTPZZGOIWIXOMZ-UHFFFAOYSA-N 1 0 217.312 2.310 40 0 BEABRO [NH3+][C@H]1CCCC[C@@H]1NCc1ccccc1 ZINC000095775689 384395068 /nfs/dbraw/zinc/39/50/68/384395068.db2.gz LATNVBUKYCPGPI-STQMWFEESA-N 1 0 204.317 2.046 40 0 BEABRO CCc1ccc(NC(=O)C2CC[NH2+]CC2)cc1 ZINC000019412016 384405115 /nfs/dbraw/zinc/40/51/15/384405115.db2.gz LKOVJSJKJSZNBN-UHFFFAOYSA-N 1 0 232.327 2.187 40 0 BEABRO [NH3+]Cc1ccc(NC(=O)c2ccccc2)cc1 ZINC000020224321 384411404 /nfs/dbraw/zinc/41/14/04/384411404.db2.gz LNIJTMGXVKXZQY-UHFFFAOYSA-N 1 0 226.279 2.398 40 0 BEABRO FC(F)(F)c1ccc([C@@H]2CC[NH2+]C2)nc1 ZINC000095642451 384384798 /nfs/dbraw/zinc/38/47/98/384384798.db2.gz RZAQCPGMOOTZRZ-SSDOTTSWSA-N 1 0 216.206 2.177 40 0 BEABRO c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1[C@@H]2OCC1CC1 ZINC000096251686 384445635 /nfs/dbraw/zinc/44/56/35/384445635.db2.gz XQSKRQAHFNXIQR-SOUVJXGZSA-N 1 0 229.323 2.471 40 0 BEABRO CCO[C@@H]1CC[N@H+](C2CCCC2)[C@H]2CCO[C@@H]21 ZINC000096220280 384443748 /nfs/dbraw/zinc/44/37/48/384443748.db2.gz QBVMIQYUARESTI-MJBXVCDLSA-N 1 0 239.359 2.197 40 0 BEABRO C[C@@H](CC(N)=O)[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000096486253 384462020 /nfs/dbraw/zinc/46/20/20/384462020.db2.gz IBTZBNVEJUCUQT-MJVIPROJSA-N 1 0 246.354 2.479 40 0 BEABRO Cc1cc(C)c(C(=O)CSC(N)=[NH2+])c(C)c1 ZINC000017299978 384484718 /nfs/dbraw/zinc/48/47/18/384484718.db2.gz KYNFPEYSJQTMMW-UHFFFAOYSA-N 1 0 236.340 2.421 40 0 BEABRO Cc1ccc([C@@H](O)C2CC[NH2+]CC2)cc1 ZINC000011630771 384510341 /nfs/dbraw/zinc/51/03/41/384510341.db2.gz GDGAWVYEBYVDJL-CYBMUJFWSA-N 1 0 205.301 2.028 40 0 BEABRO [NH3+]Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000019723002 384536035 /nfs/dbraw/zinc/53/60/35/384536035.db2.gz BFHJJQJWZYWQSL-UHFFFAOYSA-N 1 0 208.648 2.454 40 0 BEABRO Cc1cc(F)cc(Br)c1C(N)=[NH2+] ZINC000199752426 384537585 /nfs/dbraw/zinc/53/75/85/384537585.db2.gz GRKHWIPHOWXMKI-UHFFFAOYSA-N 1 0 231.068 2.181 40 0 BEABRO C[C@H](NC(=O)[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000082306122 384662407 /nfs/dbraw/zinc/66/24/07/384662407.db2.gz KPIJBNIEQKRTLM-JSGCOSHPSA-N 1 0 246.354 2.206 40 0 BEABRO COc1ccc2c(c1OC)CCC[NH2+][C@H]2C ZINC000084419414 384701501 /nfs/dbraw/zinc/70/15/01/384701501.db2.gz LRVDXMSDAKEGLI-VIFPVBQESA-N 1 0 221.300 2.301 40 0 BEABRO CC(C)C[NH+](Cc1cc(N)n(C)n1)CC(C)C ZINC000408717376 384706469 /nfs/dbraw/zinc/70/64/69/384706469.db2.gz ZCSSUGBFTACNEO-UHFFFAOYSA-N 1 0 238.379 2.116 40 0 BEABRO [NH3+]CCc1ccc(OCc2cccnc2)cc1 ZINC000021957628 384710525 /nfs/dbraw/zinc/71/05/25/384710525.db2.gz UYRJROSDJDUMHC-UHFFFAOYSA-N 1 0 228.295 2.162 40 0 BEABRO [NH3+]CCc1ccc(OCc2ccccn2)cc1 ZINC000022150934 384738704 /nfs/dbraw/zinc/73/87/04/384738704.db2.gz SBGRYKJIYHPJLB-UHFFFAOYSA-N 1 0 228.295 2.162 40 0 BEABRO CC[C@H](NC(=O)[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000051628312 384823014 /nfs/dbraw/zinc/82/30/14/384823014.db2.gz SJKGDKJVMHLPIT-STQMWFEESA-N 1 0 234.343 2.237 40 0 BEABRO C[C@@H](CC(=O)N1CC[NH2+]C[C@H]1C)CC(C)(C)C ZINC000054369982 384835451 /nfs/dbraw/zinc/83/54/51/384835451.db2.gz PGEYFXAHUPHRHL-NWDGAFQWSA-N 1 0 240.391 2.269 40 0 BEABRO CC(C)[C@@H]([NH3+])CN(C)CCc1ccccc1 ZINC000083852841 384910994 /nfs/dbraw/zinc/91/09/94/384910994.db2.gz GDFRWCWKZQLZAW-AWEZNQCLSA-N 1 0 220.360 2.144 40 0 BEABRO c1cnc(NC2CC2)c([C@H]2CCCC[NH2+]2)c1 ZINC000072213731 385083781 /nfs/dbraw/zinc/08/37/81/385083781.db2.gz KHBGOMXKMJIPJB-GFCCVEGCSA-N 1 0 217.316 2.471 40 0 BEABRO Fc1cccc(Cl)c1CN[C@H]1CCC[NH2+]C1 ZINC000072203646 385055827 /nfs/dbraw/zinc/05/58/27/385055827.db2.gz QSANLEXIMHKVDT-VIFPVBQESA-N 1 0 242.725 2.321 40 0 BEABRO CC[C@@H]([NH2+]C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072207649 385060779 /nfs/dbraw/zinc/06/07/79/385060779.db2.gz WWMPDIOQYHCOOR-MNOVXSKESA-N 1 0 242.363 2.384 40 0 BEABRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]([NH3+])C(C)(C)C ZINC000072208912 385064116 /nfs/dbraw/zinc/06/41/16/385064116.db2.gz VUWSUDMNWJUZAL-DTWKUNHWSA-N 1 0 230.352 2.273 40 0 BEABRO CC[C@H]([NH3+])[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000072208942 385064583 /nfs/dbraw/zinc/06/45/83/385064583.db2.gz ITYCDWJGFHHPIF-VHSXEESVSA-N 1 0 230.352 2.273 40 0 BEABRO CCOc1ncccc1[C@@H]1CCC[N@@H+]1C ZINC000072211824 385070935 /nfs/dbraw/zinc/07/09/35/385070935.db2.gz FZYALRGLBBOCJI-NSHDSACASA-N 1 0 206.289 2.247 40 0 BEABRO CCOc1ncccc1[C@H]1CCC[N@@H+]1C ZINC000072211825 385071695 /nfs/dbraw/zinc/07/16/95/385071695.db2.gz FZYALRGLBBOCJI-LLVKDONJSA-N 1 0 206.289 2.247 40 0 BEABRO CC[N@@H+]1CCCC[C@@H]1c1ccc[nH]c1=O ZINC000072212322 385074325 /nfs/dbraw/zinc/07/43/25/385074325.db2.gz VGGLQOOUGCRAMY-LLVKDONJSA-N 1 0 206.289 2.334 40 0 BEABRO CNc1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC000072212491 385074492 /nfs/dbraw/zinc/07/44/92/385074492.db2.gz NFOIKXZXEDCPEF-LLVKDONJSA-N 1 0 205.305 2.280 40 0 BEABRO CC[N@@H+]1CCC[C@@H]1c1ccc(N(C)C)nc1 ZINC000072212587 385075223 /nfs/dbraw/zinc/07/52/23/385075223.db2.gz QWHIRYRSSNOGCQ-GFCCVEGCSA-N 1 0 219.332 2.304 40 0 BEABRO CCC[N@@H+]1CCC[C@H]1c1ccc(N)nc1 ZINC000072212364 385076990 /nfs/dbraw/zinc/07/69/90/385076990.db2.gz VHEOZDFBESXITP-NSHDSACASA-N 1 0 205.305 2.211 40 0 BEABRO CCN(C)c1ncccc1[C@H]1CCCC[NH2+]1 ZINC000072212789 385079346 /nfs/dbraw/zinc/07/93/46/385079346.db2.gz VSDKTIDMPTZMLV-GFCCVEGCSA-N 1 0 219.332 2.352 40 0 BEABRO CN(C)c1ccc(C2=[NH+]CCCC2)cn1 ZINC000072212607 385080674 /nfs/dbraw/zinc/08/06/74/385080674.db2.gz QIGIBHUDZLTDPS-UHFFFAOYSA-N 1 0 203.289 2.121 40 0 BEABRO C[N@@H+]1CCC[C@@H]1c1cccnc1NC1CC1 ZINC000072213703 385082925 /nfs/dbraw/zinc/08/29/25/385082925.db2.gz KXRLVNPPCNWYRB-GFCCVEGCSA-N 1 0 217.316 2.423 40 0 BEABRO CCCC[NH2+]Cc1cnc(SCC)nc1 ZINC000062717285 385034417 /nfs/dbraw/zinc/03/44/17/385034417.db2.gz QANPVUUMTMJHPR-UHFFFAOYSA-N 1 0 225.361 2.478 40 0 BEABRO Cc1occc1-c1n[nH]c([C@H]([NH3+])C(C)C)n1 ZINC000095534726 385047070 /nfs/dbraw/zinc/04/70/70/385047070.db2.gz HUDZIHOBHVNLIH-SECBINFHSA-N 1 0 220.276 2.029 40 0 BEABRO CC[C@H]([NH3+])c1cnc(N2CCCC2)cc1C ZINC000072223481 385112914 /nfs/dbraw/zinc/11/29/14/385112914.db2.gz QFUJZJLYQDNLJD-LBPRGKRZSA-N 1 0 219.332 2.400 40 0 BEABRO Cc1nc(Br)ccc1[C@@H](C)[NH3+] ZINC000072224002 385117044 /nfs/dbraw/zinc/11/70/44/385117044.db2.gz YKJIOGFWVDKVEV-RXMQYKEDSA-N 1 0 215.094 2.172 40 0 BEABRO CC[C@@H]([NH3+])c1ccc(N2CCCC2)nc1C ZINC000072224526 385119382 /nfs/dbraw/zinc/11/93/82/385119382.db2.gz XTRIUFJGNYLUFC-GFCCVEGCSA-N 1 0 219.332 2.400 40 0 BEABRO CCc1ccc(-c2cc(CC[NH3+])[nH]n2)cc1 ZINC000072226125 385125700 /nfs/dbraw/zinc/12/57/00/385125700.db2.gz GCYBWEGIJMXRAW-UHFFFAOYSA-N 1 0 215.300 2.140 40 0 BEABRO C[N@@H+]1CCC[C@H]1c1cccnc1N1CCCC1 ZINC000072215968 385093980 /nfs/dbraw/zinc/09/39/80/385093980.db2.gz GCXSQOZSCNDDKG-ZDUSSCGKSA-N 1 0 231.343 2.449 40 0 BEABRO Cc1cc([C@H]2CCCC[NH2+]2)cnc1N(C)C ZINC000072218633 385100520 /nfs/dbraw/zinc/10/05/20/385100520.db2.gz MBZGIBGSDXXJLK-GFCCVEGCSA-N 1 0 219.332 2.271 40 0 BEABRO CC[N@@H+]1CCC[C@H]1c1ccc(N)nc1C ZINC000072218552 385101469 /nfs/dbraw/zinc/10/14/69/385101469.db2.gz WODJHSIWXJQFLJ-NSHDSACASA-N 1 0 205.305 2.129 40 0 BEABRO Cc1cc(N(C)C)ncc1[C@H]1CCC[N@@H+]1C ZINC000072218666 385101665 /nfs/dbraw/zinc/10/16/65/385101665.db2.gz FEHBFAWECJCHDF-GFCCVEGCSA-N 1 0 219.332 2.223 40 0 BEABRO [NH3+]C[C@@]1(CO)C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000062713760 385184737 /nfs/dbraw/zinc/18/47/37/385184737.db2.gz VNCYDWKHUUKZGP-GHMZBOCLSA-N 1 0 246.137 2.418 40 0 BEABRO CCOc1cccc([C@@H](C)[NH2+]CCOC)c1 ZINC000152117775 385154995 /nfs/dbraw/zinc/15/49/95/385154995.db2.gz CXFPHOLETWYXAA-LLVKDONJSA-N 1 0 223.316 2.382 40 0 BEABRO [NH3+][C@H]1C[C@@H](C(F)(F)F)Cc2occc21 ZINC000085399134 385164806 /nfs/dbraw/zinc/16/48/06/385164806.db2.gz WTRHZUQGCLVJNE-VDTYLAMSSA-N 1 0 205.179 2.404 40 0 BEABRO Cc1ccc2c(c1)[C@H]1CCC[C@@H]3[NH2+]CCN2[C@H]13 ZINC000064038117 385243469 /nfs/dbraw/zinc/24/34/69/385243469.db2.gz GMKHTMHRPNKUFI-OSAQELSMSA-N 1 0 228.339 2.423 40 0 BEABRO C[NH2+][C@@H]1CCN(C)Cc2ccc(Cl)cc21 ZINC000096509728 385246513 /nfs/dbraw/zinc/24/65/13/385246513.db2.gz QXNZHHHTZVDUPM-GFCCVEGCSA-N 1 0 224.735 2.436 40 0 BEABRO CC[C@@H](C)c1ccc(NC(=O)CC[NH3+])cc1 ZINC000008732968 385267113 /nfs/dbraw/zinc/26/71/13/385267113.db2.gz JQTJZRMPOKVXNA-SNVBAGLBSA-N 1 0 220.316 2.487 40 0 BEABRO Cn1cccc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193856433 385415097 /nfs/dbraw/zinc/41/50/97/385415097.db2.gz XTXGJDUMHJWIKD-LBPRGKRZSA-N 1 0 244.342 2.128 40 0 BEABRO C[C@H]1[C@H]2C[C@H]([C@H](C[NH+](C)C)C2=O)C1(C)C ZINC000004361033 385571786 /nfs/dbraw/zinc/57/17/86/385571786.db2.gz IORDCIHONMRMKU-ZRUFSTJUSA-N 1 0 209.333 2.045 40 0 BEABRO [NH3+]C[C@H](CO)Cc1cccc(Cl)c1Cl ZINC000062711361 385688344 /nfs/dbraw/zinc/68/83/44/385688344.db2.gz RPCBQZHHUFVTPQ-SSDOTTSWSA-N 1 0 234.126 2.103 40 0 BEABRO CO[C@@H](C[NH3+])c1ccccc1C(F)(F)F ZINC000062711435 385689348 /nfs/dbraw/zinc/68/93/48/385689348.db2.gz OQLNATQLVWUMTQ-VIFPVBQESA-N 1 0 219.206 2.352 40 0 BEABRO CCO[C@H](C[NH3+])c1c(F)cccc1F ZINC000062711925 385691099 /nfs/dbraw/zinc/69/10/99/385691099.db2.gz CDWMFUZPBOWILT-SECBINFHSA-N 1 0 201.216 2.001 40 0 BEABRO [NH3+]C[C@@]1(CO)C[C@@H]1c1ccccc1C(F)(F)F ZINC000062713605 385697360 /nfs/dbraw/zinc/69/73/60/385697360.db2.gz GFGAEVYBDILOJL-GHMZBOCLSA-N 1 0 245.244 2.130 40 0 BEABRO [NH3+]C[C@@]1(CO)C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000062713451 385698286 /nfs/dbraw/zinc/69/82/86/385698286.db2.gz UBDQFPICMKRFMH-LDYMZIIASA-N 1 0 246.137 2.418 40 0 BEABRO [NH3+]C[C@]1(CO)C[C@H]1c1ccccc1C(F)(F)F ZINC000062713609 385698809 /nfs/dbraw/zinc/69/88/09/385698809.db2.gz GFGAEVYBDILOJL-QWRGUYRKSA-N 1 0 245.244 2.130 40 0 BEABRO CC[C@@H](C)[NH2+]Cc1cnc(SC)nc1 ZINC000062717220 385714625 /nfs/dbraw/zinc/71/46/25/385714625.db2.gz XTWDLIYMPFGZSZ-MRVPVSSYSA-N 1 0 211.334 2.087 40 0 BEABRO CCc1ccccc1CN1CCC[C@@H]([NH3+])C1 ZINC000038539484 385667536 /nfs/dbraw/zinc/66/75/36/385667536.db2.gz DDTJKIYABAGRFL-CQSZACIVSA-N 1 0 218.344 2.172 40 0 BEABRO C[NH+]1CCC(Cc2ccc(Cl)nn2)CC1 ZINC000257198106 385752933 /nfs/dbraw/zinc/75/29/33/385752933.db2.gz SVIWIBPFDPKAFV-UHFFFAOYSA-N 1 0 225.723 2.014 40 0 BEABRO Cc1c[nH]c([C@@H]2CCN(c3cc[nH+]cc3)C2)n1 ZINC000257219269 385752978 /nfs/dbraw/zinc/75/29/78/385752978.db2.gz DGFRPGWTXMNWCF-LLVKDONJSA-N 1 0 228.299 2.107 40 0 BEABRO Cc1c[nH]nc1[C@H]1CC[N@H+](CC2CCC2)C1 ZINC000257258679 385759399 /nfs/dbraw/zinc/75/93/99/385759399.db2.gz KVBQUYVWQREMIB-LBPRGKRZSA-N 1 0 219.332 2.308 40 0 BEABRO Cc1cnc2[nH]c([C@@H]3CCC[NH2+]C3)cc2c1 ZINC000257342518 385764370 /nfs/dbraw/zinc/76/43/70/385764370.db2.gz ZPAKTPDSHQMLBL-SNVBAGLBSA-N 1 0 215.300 2.338 40 0 BEABRO C[n+]1ccc(-c2nc3ccccc3o2)cc1 ZINC000072193776 385885575 /nfs/dbraw/zinc/88/55/75/385885575.db2.gz OUMZSZRXQJKLEG-UHFFFAOYSA-N 1 0 211.244 2.319 40 0 BEABRO Clc1ccc2c(c1)[C@@]1(CC[NH2+]1)CCO2 ZINC000306145664 385994912 /nfs/dbraw/zinc/99/49/12/385994912.db2.gz MRYHUVDAQBTWAL-LLVKDONJSA-N 1 0 209.676 2.311 40 0 BEABRO Clc1ccc2c(c1)[C@]1(CC[NH2+]1)CCO2 ZINC000306145665 385993836 /nfs/dbraw/zinc/99/38/36/385993836.db2.gz MRYHUVDAQBTWAL-NSHDSACASA-N 1 0 209.676 2.311 40 0 BEABRO CC(C)OCCCN1CC[NH2+][C@H]2CCCC[C@H]21 ZINC000218831193 386056531 /nfs/dbraw/zinc/05/65/31/386056531.db2.gz SVOFHSOHNPEOPL-UONOGXRCSA-N 1 0 240.391 2.018 40 0 BEABRO CC[NH+]1CCN(c2cc(C)c(N)cc2C)CC1 ZINC000223781386 386100040 /nfs/dbraw/zinc/10/00/40/386100040.db2.gz DFBVXJZFOJIGHT-UHFFFAOYSA-N 1 0 233.359 2.028 40 0 BEABRO [NH3+]C[C@@H](c1ccccc1F)N1CCCCC1 ZINC000038916564 386144111 /nfs/dbraw/zinc/14/41/11/386144111.db2.gz INORNADMOBKASS-ZDUSSCGKSA-N 1 0 222.307 2.311 40 0 BEABRO C[C@H](NC[C@H]([NH3+])c1ccccc1)c1nccs1 ZINC000080310454 386239392 /nfs/dbraw/zinc/23/93/92/386239392.db2.gz XRLVYKCVJQZARP-JQWIXIFHSA-N 1 0 247.367 2.494 40 0 BEABRO CC[C@H]([NH3+])Cc1c[nH]c2ccc(OC)cc12 ZINC000044399589 386634225 /nfs/dbraw/zinc/63/42/25/386634225.db2.gz JHTPCKWBFLMJMQ-JTQLQIEISA-N 1 0 218.300 2.456 40 0 in-vitro BEABRO NC(=[NH2+])[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000575423450 387038670 /nfs/dbraw/zinc/03/86/70/387038670.db2.gz NJRWLSBDDNFIKQ-IUCAKERBSA-N 1 0 239.116 2.489 40 0 BEABRO Clc1cccc2c1COC21CC[NH2+]CC1 ZINC000096029451 387015931 /nfs/dbraw/zinc/01/59/31/387015931.db2.gz HYTGLYLBXMDWON-UHFFFAOYSA-N 1 0 223.703 2.449 40 0 BEABRO Cc1ccc(C[N@@H+]2CCCC[C@H]2CO)cc1 ZINC000049751259 387023545 /nfs/dbraw/zinc/02/35/45/387023545.db2.gz RUCUIOODARESCC-AWEZNQCLSA-N 1 0 219.328 2.342 40 0 BEABRO Cc1ccc2c(c1)[C@H]1CCC[C@@H]3[NH2+]CCN2[C@@H]13 ZINC000169619884 387845031 /nfs/dbraw/zinc/84/50/31/387845031.db2.gz GMKHTMHRPNKUFI-ZLDLUXBVSA-N 1 0 228.339 2.423 40 0 BEABRO Cc1cnn(C)c1C[NH2+]Cc1ccccc1 ZINC000256051228 387858569 /nfs/dbraw/zinc/85/85/69/387858569.db2.gz IHWMWUDJQXIIEF-UHFFFAOYSA-N 1 0 215.300 2.018 40 0 BEABRO CCCn1nccc1C[NH2+]Cc1cccc(O)c1 ZINC000256050905 387858957 /nfs/dbraw/zinc/85/89/57/387858957.db2.gz GYCYUUAFHQZXFI-UHFFFAOYSA-N 1 0 245.326 2.289 40 0 BEABRO CCCC[NH2+]Cc1ccnn1CC(C)C ZINC000256054943 387861962 /nfs/dbraw/zinc/86/19/62/387861962.db2.gz YLFLYFBDUTYXTR-UHFFFAOYSA-N 1 0 209.337 2.429 40 0 BEABRO C[NH+](C)CC[C@H](CCO)c1ccccc1 ZINC000217799601 388381817 /nfs/dbraw/zinc/38/18/17/388381817.db2.gz FMPPBHOTCAXSPO-CYBMUJFWSA-N 1 0 207.317 2.104 40 0 BEABRO [NH3+]C[C@H]1CC[C@@H](c2cc(F)cc(F)c2)O1 ZINC000218700626 388390963 /nfs/dbraw/zinc/39/09/63/388390963.db2.gz JCVNEPFOJPAIAS-MNOVXSKESA-N 1 0 213.227 2.144 40 0 BEABRO [NH3+][C@H]1C[C@]12CCOc1ccc(Cl)cc12 ZINC000218686214 388390998 /nfs/dbraw/zinc/39/09/98/388390998.db2.gz LVIJXJAIZQYJOP-QWRGUYRKSA-N 1 0 209.676 2.091 40 0 BEABRO CC1CC(C[NH3+])([C@@H](O)c2ccccc2)C1 ZINC000085396231 256771848 /nfs/dbraw/zinc/77/18/48/256771848.db2.gz HLZCBYZEUIZRQS-YDGIUTOCSA-N 1 0 205.301 2.095 40 0 BEABRO [NH3+]CCSc1cccc(Br)c1 ZINC000055306565 388598171 /nfs/dbraw/zinc/59/81/71/388598171.db2.gz UWJWMTPWUMJWOR-UHFFFAOYSA-N 1 0 232.146 2.500 40 0 BEABRO [NH3+]C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000008029004 388557232 /nfs/dbraw/zinc/55/72/32/388557232.db2.gz GMDBVPHSECPGQQ-AWEZNQCLSA-N 1 0 243.306 2.052 40 0 BEABRO COC(=O)C1([NH3+])CCCCCCCCC1 ZINC000066055328 388680443 /nfs/dbraw/zinc/68/04/43/388680443.db2.gz DDMRAJLUAZVGOD-UHFFFAOYSA-N 1 0 213.321 2.381 40 0 BEABRO CCC[C@H]([NH2+]C)C(=O)c1ccc(F)cc1 ZINC000299817272 388618585 /nfs/dbraw/zinc/61/85/85/388618585.db2.gz QBFXBDUCRNGHSA-NSHDSACASA-N 1 0 209.264 2.397 40 0 in-vitro BEABRO Cc1cc(=S)cc(C)n1CC[NH+](C)C ZINC000000073566 177721274 /nfs/dbraw/zinc/72/12/74/177721274.db2.gz ALNBECSKIDHCRZ-UHFFFAOYSA-N 1 0 210.346 2.396 40 0 BEABRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2C)c1 ZINC000066695805 388685026 /nfs/dbraw/zinc/68/50/26/388685026.db2.gz IJKQMSYACZBDOL-LBPRGKRZSA-N 1 0 221.300 2.471 40 0 BEABRO C[C@H](O[C@H]1CC[NH2+]C1)c1ccc(Cl)nc1 ZINC000252479945 388652948 /nfs/dbraw/zinc/65/29/48/388652948.db2.gz BQKOJNOSEHXUHY-WPRPVWTQSA-N 1 0 226.707 2.175 40 0 BEABRO Cc1ccc([C@H](C)O[C@@H]2CC[NH2+]C2)c(C)n1 ZINC000252488751 388653351 /nfs/dbraw/zinc/65/33/51/388653351.db2.gz IXXRNOQIHCRCST-NWDGAFQWSA-N 1 0 220.316 2.138 40 0 BEABRO NNc1[nH+]ccc2ccc(Br)cc21 ZINC000116940174 388653674 /nfs/dbraw/zinc/65/36/74/388653674.db2.gz RZILMDNYAKGLIC-UHFFFAOYSA-N 1 0 238.088 2.283 40 0 BEABRO COc1ccc([C@H](C[NH3+])OC(C)C)cc1OC ZINC000062711776 388655251 /nfs/dbraw/zinc/65/52/51/388655251.db2.gz IUFYYRDYOIAOTO-ZDUSSCGKSA-N 1 0 239.315 2.129 40 0 BEABRO CC[C@H](C)[NH2+]Cc1cnc(SC)nc1 ZINC000062717221 388655717 /nfs/dbraw/zinc/65/57/17/388655717.db2.gz XTWDLIYMPFGZSZ-QMMMGPOBSA-N 1 0 211.334 2.087 40 0 BEABRO CCc1nc2ccccc2n1C[C@@H]1CCC[NH2+]1 ZINC000062807712 388657724 /nfs/dbraw/zinc/65/77/24/388657724.db2.gz CEDKIDADDSYGOD-NSHDSACASA-N 1 0 229.327 2.351 40 0 BEABRO CC(C)n1cnc2c1CCC[C@@H]2CC[NH3+] ZINC000076088499 388663009 /nfs/dbraw/zinc/66/30/09/388663009.db2.gz OFJFAGAKTXJUFG-SNVBAGLBSA-N 1 0 207.321 2.233 40 0 BEABRO c1ccc(CCN2CC[NH2+][C@@H]3CCCC[C@@H]32)cc1 ZINC000225711845 388757615 /nfs/dbraw/zinc/75/76/15/388757615.db2.gz WBKROPMTWHKBDJ-CVEARBPZSA-N 1 0 244.382 2.446 40 0 BEABRO CNc1nc([C@@H]2CCCC[NH2+]2)c2sccn12 ZINC000257290574 388698598 /nfs/dbraw/zinc/69/85/98/388698598.db2.gz QDLUJRWFGSJEDH-QMMMGPOBSA-N 1 0 236.344 2.252 40 0 BEABRO CC[NH2+]CCO[C@@H]1CC[C@@]12CCC21CC1 ZINC000242437345 388721469 /nfs/dbraw/zinc/72/14/69/388721469.db2.gz BZVWUBCXQPNHJR-DGCLKSJQSA-N 1 0 209.333 2.335 40 0 BEABRO c1ccc(N2CC[NH2+][C@@H]3CCC[C@@H]32)cc1 ZINC000225716187 388840990 /nfs/dbraw/zinc/84/09/90/388840990.db2.gz IWLZDWNEKXPOPY-OLZOCXBDSA-N 1 0 202.301 2.017 40 0 BEABRO C[C@@H]1CN(c2c(N)cccc2Cl)C[C@H](C)[NH2+]1 ZINC000008702459 132318981 /nfs/dbraw/zinc/31/89/81/132318981.db2.gz QCAINOAXOOQETG-DTORHVGOSA-N 1 0 239.750 2.109 40 0 BEABRO Clc1cnc(N2CC[NH2+]CC2)c2ccccc12 ZINC000019721592 132326313 /nfs/dbraw/zinc/32/63/13/132326313.db2.gz DYOKLVQRBCYPRI-UHFFFAOYSA-N 1 0 247.729 2.298 40 0 BEABRO [NH3+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC000035633161 132338733 /nfs/dbraw/zinc/33/87/33/132338733.db2.gz DTMPIHBHYDNQTH-UHFFFAOYSA-N 1 0 210.708 2.268 40 0 BEABRO [NH3+]Cc1cnc2ccc(F)cc2c1Cl ZINC000199523542 134215194 /nfs/dbraw/zinc/21/51/94/134215194.db2.gz NXOYINDYGDQNLY-UHFFFAOYSA-N 1 0 210.639 2.486 40 0 BEABRO CCCn1cc(C[NH2+]CCCOCC)c(C)n1 ZINC000256049780 398040677 /nfs/dbraw/zinc/04/06/77/398040677.db2.gz BKAZRKYONQOJAI-UHFFFAOYSA-N 1 0 239.363 2.118 40 0 BEABRO Cc1cc(C)[n+](-c2nccs2)c(C)c1 ZINC000000273273 398083458 /nfs/dbraw/zinc/08/34/58/398083458.db2.gz NLJHEUCEVIQCIZ-UHFFFAOYSA-N 1 0 205.306 2.345 40 0 BEABRO C[C@](CO)(c1cccs1)[NH+]1CCCCC1 ZINC000070453238 322905140 /nfs/dbraw/zinc/90/51/40/322905140.db2.gz DIIKMBMVOGZIKZ-LBPRGKRZSA-N 1 0 225.357 2.442 40 0 BEABRO OC[C@@H](c1ccc(F)c(F)c1)[NH+]1CCCCC1 ZINC000070453251 322905175 /nfs/dbraw/zinc/90/51/75/322905175.db2.gz JPGONXUVIJCZQD-ZDUSSCGKSA-N 1 0 241.281 2.484 40 0 BEABRO [NH3+][C@H]1CCCC[C@@H]1NCc1ccccc1F ZINC000072411139 410028349 /nfs/dbraw/zinc/02/83/49/410028349.db2.gz BSEBPYRQKRQSIO-STQMWFEESA-N 1 0 222.307 2.185 40 0 BEABRO CC(C)(C)OC(=O)N1CC[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000038343330 166654819 /nfs/dbraw/zinc/65/48/19/166654819.db2.gz JZYLWFDGGQTJND-MNOVXSKESA-N 1 0 240.347 2.138 40 0 BEABRO CC(C)C[NH2+]Cc1ccn(CC(F)(F)F)n1 ZINC000256051698 167010203 /nfs/dbraw/zinc/01/02/03/167010203.db2.gz KENZDVLFJUVOKC-UHFFFAOYSA-N 1 0 235.253 2.191 40 0 BEABRO CC(C)[N@@H+]1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 ZINC000257285430 167027266 /nfs/dbraw/zinc/02/72/66/167027266.db2.gz PHBGDIZESBMASY-GJZGRUSLSA-N 1 0 249.354 2.299 40 0 BEABRO CC[NH+](CC)CCNC(=O)Nc1ccccc1 ZINC000001634336 169779433 /nfs/dbraw/zinc/77/94/33/169779433.db2.gz YTGXKAVGGWIDKO-UHFFFAOYSA-N 1 0 235.331 2.150 40 0 BEABRO CC(C)O[C@H](C[NH3+])c1cc(F)ccc1F ZINC000062711797 167282972 /nfs/dbraw/zinc/28/29/72/167282972.db2.gz XVBJFFJOMWMDJE-LLVKDONJSA-N 1 0 215.243 2.390 40 0 BEABRO CC(C)Oc1ccc([C@H]2C[NH2+]CCN2C)cc1 ZINC000071545104 167301171 /nfs/dbraw/zinc/30/11/71/167301171.db2.gz FFXFMEJLEWIEDE-CQSZACIVSA-N 1 0 234.343 2.050 40 0 BEABRO CCCC[NH2+]Cc1nc2cc(OC)ccc2[nH]1 ZINC000022122096 411310294 /nfs/dbraw/zinc/31/02/94/411310294.db2.gz BMCQBVFSRLQNDD-UHFFFAOYSA-N 1 0 233.315 2.461 40 0 BEABRO CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@H](C)[S@](C)=O ZINC000097099000 168104033 /nfs/dbraw/zinc/10/40/33/168104033.db2.gz DTHDAAIEJBGXJU-RSUWNVLCSA-N 1 0 243.416 2.335 40 0 BEABRO CC1CC(C[NH3+])([C@H](O)c2ccc(F)cc2)C1 ZINC000085395994 168138564 /nfs/dbraw/zinc/13/85/64/168138564.db2.gz SNDARHVLHCJIOP-BKDHPRRPSA-N 1 0 223.291 2.234 40 0 BEABRO CCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000061226443 168233129 /nfs/dbraw/zinc/23/31/29/168233129.db2.gz JASFSFGWJXDJFF-UHFFFAOYSA-N 1 0 246.354 2.309 40 0 BEABRO CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038832126 170091938 /nfs/dbraw/zinc/09/19/38/170091938.db2.gz JSGNIBHKHVBIFT-CQSZACIVSA-N 1 0 246.354 2.035 40 0 BEABRO CCOC(=O)CC[NH2+][C@H]1CCCC[C@@H]1C ZINC000036667561 170210363 /nfs/dbraw/zinc/21/03/63/170210363.db2.gz XKHGOPJHZZPKGU-QWRGUYRKSA-N 1 0 213.321 2.108 40 0 BEABRO CCOC(=O)C[C@@H]([NH3+])c1cnc2ccccc2c1 ZINC000002511927 170230920 /nfs/dbraw/zinc/23/09/20/170230920.db2.gz LHXLIPYYKOVEJT-GFCCVEGCSA-N 1 0 244.294 2.188 40 0 BEABRO CCOC(=O)N1C=Cc2ccccc2[C@H]1C(N)=[NH2+] ZINC000004963739 170239302 /nfs/dbraw/zinc/23/93/02/170239302.db2.gz JALPIUOSSNXQGO-NSHDSACASA-N 1 0 245.282 2.106 40 0 BEABRO CCOC(=O)[C@@H](C)[NH+]1CCCCCCC1 ZINC000006403279 170246885 /nfs/dbraw/zinc/24/68/85/170246885.db2.gz SONFEJOFNQXGFB-LLVKDONJSA-N 1 0 213.321 2.204 40 0 BEABRO CCOC(=O)[C@H](CC[NH+](C)C)c1ccccc1 ZINC000001577534 170272673 /nfs/dbraw/zinc/27/26/73/170272673.db2.gz FHHDBEYDICPUQH-CYBMUJFWSA-N 1 0 235.327 2.285 40 0 BEABRO CCO[C@@H](C[NH2+]C)c1cc(F)ccc1F ZINC000062711574 170478031 /nfs/dbraw/zinc/47/80/31/170478031.db2.gz UARUSPQVDWHIIH-NSHDSACASA-N 1 0 215.243 2.262 40 0 BEABRO CC[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1C ZINC000016758630 170752367 /nfs/dbraw/zinc/75/23/67/170752367.db2.gz ILLZYUQZSHRPQG-CHWSQXEVSA-N 1 0 237.343 2.123 40 0 BEABRO C[N@@H+]1CCCC[C@@H]1c1ccc(-n2ccnc2)nc1 ZINC000072386559 173008515 /nfs/dbraw/zinc/00/85/15/173008515.db2.gz RGXXBCYZOKBQQT-CYBMUJFWSA-N 1 0 242.326 2.424 40 0 BEABRO CN1CCC[NH+]=C1/C=C\c1cccs1 ZINC000100299039 173018910 /nfs/dbraw/zinc/01/89/10/173018910.db2.gz YSAUAVHXTIETRK-WAYWQWQTSA-N 1 0 206.314 2.495 40 0 fda BEABRO C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(F)cc2)C1 ZINC000082324278 173039509 /nfs/dbraw/zinc/03/95/09/173039509.db2.gz ZDVXCFPUDGMJII-JTQLQIEISA-N 1 0 236.290 2.106 40 0 BEABRO C[N@@H+]1C[C@@H]2Cc3ccc(O)cc3[C@@](C)(C2)C1 ZINC000001566231 173190742 /nfs/dbraw/zinc/19/07/42/173190742.db2.gz CGKYCWJVDWFBSM-YGRLFVJLSA-N 1 0 217.312 2.158 40 0 BEABRO C[N@@H+]1C[C@H]2Cc3ccc(O)cc3[C@](C)(C2)C1 ZINC000005492770 173199161 /nfs/dbraw/zinc/19/91/61/173199161.db2.gz CGKYCWJVDWFBSM-IINYFYTJSA-N 1 0 217.312 2.158 40 0 BEABRO C[NH2+]CC1(COc2ccccc2)CCC1 ZINC000096515662 173337541 /nfs/dbraw/zinc/33/75/41/173337541.db2.gz WMCQDKBVPWVCPI-UHFFFAOYSA-N 1 0 205.301 2.455 40 0 BEABRO C[NH2+]CC[C@H](CCO)c1cccc(C)c1 ZINC000217800914 173358821 /nfs/dbraw/zinc/35/88/21/173358821.db2.gz WKFGAMDHOUIIDV-GFCCVEGCSA-N 1 0 207.317 2.071 40 0 BEABRO COCCC1(C[NH3+])CCC(F)(F)CC1 ZINC000098213570 174153808 /nfs/dbraw/zinc/15/38/08/174153808.db2.gz AFRBAUMDNLFPKW-UHFFFAOYSA-N 1 0 207.264 2.177 40 0 BEABRO COCC[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000072357061 174308420 /nfs/dbraw/zinc/30/84/20/174308420.db2.gz HSDVWVSEQUZCAP-LLVKDONJSA-N 1 0 240.372 2.044 40 0 BEABRO COCC[NH2+]Cc1cccn1-c1ccccc1F ZINC000223683313 174335812 /nfs/dbraw/zinc/33/58/12/174335812.db2.gz OZLNBBGQNMJLOH-UHFFFAOYSA-N 1 0 248.301 2.352 40 0 BEABRO COc1ccc(-c2nnc([C@@H]3CCC[NH2+]3)o2)cc1 ZINC000032102022 175042770 /nfs/dbraw/zinc/04/27/70/175042770.db2.gz PMPCTQYFOSUHRN-NSHDSACASA-N 1 0 245.282 2.170 40 0 BEABRO COc1ccc(OC)c(-c2nc(C[NH3+])c(C)o2)c1 ZINC000039321179 175163833 /nfs/dbraw/zinc/16/38/33/175163833.db2.gz MTVJSDAJWAPZJP-UHFFFAOYSA-N 1 0 248.282 2.126 40 0 BEABRO COc1ccc(OC)c(C2CC[NH2+]CC2)c1 ZINC000019835061 175164182 /nfs/dbraw/zinc/16/41/82/175164182.db2.gz YPRNGZFJGFLZNA-UHFFFAOYSA-N 1 0 221.300 2.171 40 0 BEABRO COc1ccc(OC)c([C@@H]2CCC[NH2+]C2)c1 ZINC000038539088 175167901 /nfs/dbraw/zinc/16/79/01/175167901.db2.gz MPOSBTBOIRHAEE-SNVBAGLBSA-N 1 0 221.300 2.171 40 0 BEABRO COc1ccc([C@@H](C[NH3+])c2ccc(N)cc2)cc1 ZINC000001597908 175178556 /nfs/dbraw/zinc/17/85/56/175178556.db2.gz MKBLPQLPMPUOKE-HNNXBMFYSA-N 1 0 242.322 2.368 40 0 BEABRO COc1ccc([C@@H](C[NH3+])OC(C)C)c(OC)c1 ZINC000062711773 175178574 /nfs/dbraw/zinc/17/85/74/175178574.db2.gz LFDFIYQOEZJMJH-CYBMUJFWSA-N 1 0 239.315 2.129 40 0 BEABRO COc1ccc([C@@H]2CCC[NH2+]C2)cc1C ZINC000038539217 175182973 /nfs/dbraw/zinc/18/29/73/175182973.db2.gz SQSVGMGTIAOIPK-GFCCVEGCSA-N 1 0 205.301 2.471 40 0 BEABRO COc1ccc([C@H]2C[NH2+]CCN2C(C)C)cc1 ZINC000077369921 175195388 /nfs/dbraw/zinc/19/53/88/175195388.db2.gz DKBLZPOXUPBSLH-CQSZACIVSA-N 1 0 234.343 2.050 40 0 BEABRO COc1ccc2c(c1OC)CCC[NH2+][C@@H]2C ZINC000084419411 175222263 /nfs/dbraw/zinc/22/22/63/175222263.db2.gz LRVDXMSDAKEGLI-SECBINFHSA-N 1 0 221.300 2.301 40 0 BEABRO COc1cccc(CCC[NH3+])c1OC(F)F ZINC000043559447 175251929 /nfs/dbraw/zinc/25/19/29/175251929.db2.gz IQCHNMMGSQVQHH-UHFFFAOYSA-N 1 0 231.242 2.188 40 0 BEABRO COc1cccc(C[NH2+]CC(C)C)c1OC ZINC000006883647 175262956 /nfs/dbraw/zinc/26/29/56/175262956.db2.gz WVSOJSFIASVMKT-UHFFFAOYSA-N 1 0 223.316 2.449 40 0 BEABRO COc1cccc([C@@H](C[NH3+])OC(C)C)c1 ZINC000043030105 175287799 /nfs/dbraw/zinc/28/77/99/175287799.db2.gz GSAAQNXSOJUTIG-GFCCVEGCSA-N 1 0 209.289 2.120 40 0 BEABRO COc1cccc([C@H](C[NH3+])N2CCC[C@@H](C)C2)c1 ZINC000022222377 175294244 /nfs/dbraw/zinc/29/42/44/175294244.db2.gz AEZAJJACDUCXGH-DOMZBBRYSA-N 1 0 248.370 2.427 40 0 BEABRO COc1cccc2c(NCCC[NH3+])cc(C)nc12 ZINC000222689825 175300430 /nfs/dbraw/zinc/30/04/30/175300430.db2.gz WJIZFSGTJGTEOL-UHFFFAOYSA-N 1 0 245.326 2.313 40 0 BEABRO COc1ccccc1N[C@H]1CCCC[C@H]1[NH3+] ZINC000218858074 175339263 /nfs/dbraw/zinc/33/92/63/175339263.db2.gz HKMJGMFSZBIRSZ-MNOVXSKESA-N 1 0 220.316 2.377 40 0 BEABRO C[C@@H](C[S@](C)=O)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000097379741 175769620 /nfs/dbraw/zinc/76/96/20/175769620.db2.gz POBCSSLFHBCOJT-DXHVMGJMSA-N 1 0 231.405 2.168 40 0 BEABRO C[C@@H]([NH3+])COCc1ccccc1Br ZINC000089262682 175806367 /nfs/dbraw/zinc/80/63/67/175806367.db2.gz XIEXXUIVIYMMGM-MRVPVSSYSA-N 1 0 244.132 2.313 40 0 BEABRO C[C@@H](O[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000096529852 176003568 /nfs/dbraw/zinc/00/35/68/176003568.db2.gz BYYSIIGQQQFDCJ-SKDRFNHKSA-N 1 0 209.264 2.265 40 0 BEABRO C[C@@H](c1ccc(F)cc1)[N@H+](CCO)C1CC1 ZINC000079421190 176016075 /nfs/dbraw/zinc/01/60/75/176016075.db2.gz VLJHWQVPIWVCTR-JTQLQIEISA-N 1 0 223.291 2.343 40 0 BEABRO C[C@@H]1CCCN(C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000019202608 176099484 /nfs/dbraw/zinc/09/94/84/176099484.db2.gz KLFHRQOZJWCFOI-CHWSQXEVSA-N 1 0 210.365 2.408 40 0 BEABRO C[C@H]1CC[C@H]([NH2+]CCc2ccnn2C)C[C@@H]1C ZINC000097380128 177205665 /nfs/dbraw/zinc/20/56/65/177205665.db2.gz YRFQWWUPZJCZGW-AVGNSLFASA-N 1 0 235.375 2.377 40 0 BEABRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccccc1F ZINC000019575788 177280017 /nfs/dbraw/zinc/28/00/17/177280017.db2.gz NZRKNMWYVXNMMZ-JSGCOSHPSA-N 1 0 248.345 2.494 40 0 BEABRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccsc1 ZINC000072324464 177280360 /nfs/dbraw/zinc/28/03/60/177280360.db2.gz OENMGDLWRDXQIX-WCQYABFASA-N 1 0 236.384 2.417 40 0 BEABRO C[C@@H](CN1CC[NH2+]C[C@@H]1C)c1ccccc1 ZINC000083349523 177284227 /nfs/dbraw/zinc/28/42/27/177284227.db2.gz PFCGFSCWLYDURJ-STQMWFEESA-N 1 0 218.344 2.084 40 0 BEABRO C[C@H]1C[NH2+]CC[C@]1(C)c1cccc(O)c1 ZINC000003880949 177284976 /nfs/dbraw/zinc/28/49/76/177284976.db2.gz HXZDAOSDNCHKFE-GWCFXTLKSA-N 1 0 205.301 2.279 40 0 BEABRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@]1(O)Cc1ccccc1 ZINC000004128449 177352721 /nfs/dbraw/zinc/35/27/21/177352721.db2.gz YSGPBYGQFUGPJJ-VNHYZAJKSA-N 1 0 233.355 2.320 40 0 BEABRO C[C@H]1Cc2ccc(OCC[NH+](C)C)cc2C1=O ZINC000001665461 177389673 /nfs/dbraw/zinc/38/96/73/177389673.db2.gz GHKQNMRCFJRKKK-JTQLQIEISA-N 1 0 233.311 2.002 40 0 BEABRO CCOc1ccc(C)cc1C[NH2+]CCOC ZINC000071407426 322951906 /nfs/dbraw/zinc/95/19/06/322951906.db2.gz DKVCCYAUXLOGOV-UHFFFAOYSA-N 1 0 223.316 2.130 40 0 BEABRO Cc1cc([C@@H](C)[NH3+])ncc1Br ZINC000238418426 322999435 /nfs/dbraw/zinc/99/94/35/322999435.db2.gz ULAILKBWHOOVHP-ZCFIWIBFSA-N 1 0 215.094 2.172 40 0 BEABRO CN(C)[C@@H](C[NH3+])c1ccccc1OC(F)(F)F ZINC000022166793 487970456 /nfs/dbraw/zinc/97/04/56/487970456.db2.gz MRAGMSWPIKGTOJ-VIFPVBQESA-N 1 0 248.248 2.147 40 0 BEABRO CC(C)(C)c1cccc(OCC(N)=[NH2+])c1 ZINC000037428869 519054318 /nfs/dbraw/zinc/05/43/18/519054318.db2.gz VSJOCVYHLJZVPW-UHFFFAOYSA-N 1 0 206.289 2.299 40 0 BEABRO COCCC[NH2+]Cc1ccc(Cc2ccco2)[nH]1 ZINC000226021095 523376681 /nfs/dbraw/zinc/37/66/81/523376681.db2.gz PMFIELUGXGOJKY-UHFFFAOYSA-N 1 0 248.326 2.325 40 0 BEABRO CCn1cc(Cc2ccc(F)cc2)[nH+]c1N ZINC000199550255 523397582 /nfs/dbraw/zinc/39/75/82/523397582.db2.gz VTXRGNDXTKBLJQ-UHFFFAOYSA-N 1 0 219.263 2.215 40 0 BEABRO CCn1nccc1C[NH2+]Cc1cccc(F)c1 ZINC000020349289 523729114 /nfs/dbraw/zinc/72/91/14/523729114.db2.gz UKEOVGNXMCWESH-UHFFFAOYSA-N 1 0 233.290 2.332 40 0 BEABRO C[C@H]1[C@H](C)O[C@@H]2C[C@H](C(F)(F)F)C[C@H]([NH3+])[C@H]12 ZINC000242463387 525100978 /nfs/dbraw/zinc/10/09/78/525100978.db2.gz CZVKMVVAGFXBBQ-NHETZVSYSA-N 1 0 237.265 2.326 40 0 BEABRO C[C@@H]1C[C@H]2[C@@H](C[C@H](C(F)(F)F)C[C@H]2[NH3+])O1 ZINC000252528002 525513498 /nfs/dbraw/zinc/51/34/98/525513498.db2.gz DXOFCJWXXLMFIJ-JGKVKWKGSA-N 1 0 223.238 2.080 40 0 BEABRO NNc1ccc(C(Cl)(Cl)Cl)c[nH+]1 ZINC000199545471 527278686 /nfs/dbraw/zinc/27/86/86/527278686.db2.gz DZTSLNJQKRKGDU-UHFFFAOYSA-N 1 0 226.494 2.194 40 0 BEABRO CCOC(=O)[C@@H](CC[NH+](C)C)Cc1ccccc1 ZINC000504300637 527780336 /nfs/dbraw/zinc/78/03/36/527780336.db2.gz LVGYZCJPDTZCNY-AWEZNQCLSA-N 1 0 249.354 2.360 40 0 BEABRO COc1ccc([C@H]2C[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000197437909 1167422103 /nfs/dbraw/zinc/42/21/03/1167422103.db2.gz XQYZITZLEACFSW-RTXFEEFZSA-N 1 0 203.285 2.018 40 0 BEABRO CN(CC(=O)c1ccccc1)C1=[NH+]CCCC1 ZINC000027526716 1168608213 /nfs/dbraw/zinc/60/82/13/1168608213.db2.gz KARVFIVCKFXIFW-UHFFFAOYSA-N 1 0 230.311 2.384 40 0 BEABRO C[NH2+]C1=C(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001560405431 991467815 /nfs/dbraw/zinc/46/78/15/991467815.db2.gz XQSZYZQUPZTTDD-UHFFFAOYSA-N 1 0 226.320 2.121 40 0 BEABRO C[C@H](O)/C=C/c1ccc2ccccc2[n+]1C ZINC000000047470 398145715 /nfs/dbraw/zinc/14/57/15/398145715.db2.gz IUWUOTAPBHIDDL-DJYGCBNOSA-N 1 0 214.288 2.058 40 0 BEABRO C/C=C\C(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000033851101 187321384 /nfs/dbraw/zinc/32/13/84/187321384.db2.gz BYZXGBSVTUJAKJ-VAUITZSSSA-N 1 0 237.343 2.370 40 0 biogenic BEABRO CC1(C)[C@H]2CC[C@]1(C)[C@H](SC(N)=[NH2+])C2=O ZINC000005426138 136215215 /nfs/dbraw/zinc/21/52/15/136215215.db2.gz JVXRHLUWSSCLBB-FMTFEUNWSA-N 1 0 226.345 2.007 40 0 BEABRO Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](O)C1 ZINC000038539812 178084997 /nfs/dbraw/zinc/08/49/97/178084997.db2.gz DOPXEIPYVQYVPR-ZDUSSCGKSA-N 1 0 223.291 2.091 40 0 BEABRO CCCC[NH2+]Cc1cc(C(C)C)nn1C ZINC000256051599 398198748 /nfs/dbraw/zinc/19/87/48/398198748.db2.gz JUJIRIRFSTXLLL-UHFFFAOYSA-N 1 0 209.337 2.433 40 0 BEABRO Cc1cc(NCC[NH3+])c2cccc(F)c2n1 ZINC000222686617 178162136 /nfs/dbraw/zinc/16/21/36/178162136.db2.gz RUZAERLJMKHNND-UHFFFAOYSA-N 1 0 219.263 2.053 40 0 BEABRO Cc1cc(O)cc(C)c1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000077293610 178199057 /nfs/dbraw/zinc/19/90/57/178199057.db2.gz PNGZGTQKSFXTPA-LBPRGKRZSA-N 1 0 248.326 2.090 40 0 in-vitro BEABRO CCC(CC)CN1CC[C@]12CCC[NH2+]C2 ZINC000096050987 168352155 /nfs/dbraw/zinc/35/21/55/168352155.db2.gz SLNLOWMOGGDALQ-ZDUSSCGKSA-N 1 0 210.365 2.251 40 0 BEABRO Cc1cc2c(cc1C)-c1c(N)nc(N)[nH+]c1CC2 ZINC000001722906 178285449 /nfs/dbraw/zinc/28/54/49/178285449.db2.gz BHVQGUJCKBZIKY-UHFFFAOYSA-N 1 0 240.310 2.023 40 0 BEABRO Cc1ccc(-c2nc(C)cc(NCC[NH3+])n2)cc1 ZINC000008731094 178332807 /nfs/dbraw/zinc/33/28/07/178332807.db2.gz XOPDWAUBIKWTGS-UHFFFAOYSA-N 1 0 242.326 2.131 40 0 BEABRO Cc1ccc(-c2cnn([C@@H](C)C[NH3+])c2)cc1 ZINC000085391498 178328696 /nfs/dbraw/zinc/32/86/96/178328696.db2.gz QBYXJILDRNGOLP-NSHDSACASA-N 1 0 215.300 2.378 40 0 BEABRO OC[C@@H](c1cccc(F)c1)[NH+]1CCCCC1 ZINC000070453021 259313464 /nfs/dbraw/zinc/31/34/64/259313464.db2.gz HBIZCOPXWWWKMB-ZDUSSCGKSA-N 1 0 223.291 2.345 40 0 BEABRO O=C(c1ccccc1)N1CC[NH2+][C@H]2CCCC[C@@H]21 ZINC000072210176 259316448 /nfs/dbraw/zinc/31/64/48/259316448.db2.gz YKGRKMSDSHKIMV-KBPBESRZSA-N 1 0 244.338 2.043 40 0 BEABRO CN1C(c2ccncc2)=[NH+]CC12CCCCC2 ZINC000001611078 342705636 /nfs/dbraw/zinc/70/56/36/342705636.db2.gz QNBPXSQATURIGM-UHFFFAOYSA-N 1 0 229.327 2.477 40 0 BEABRO CN(C)P(CC[PH+](C)C)N(C)C ZINC000001624241 342706304 /nfs/dbraw/zinc/70/63/04/342706304.db2.gz ZZHHBWCWDZSOFZ-UHFFFAOYSA-N 1 0 208.226 2.163 40 0 BEABRO CC(=O)O[C@H](C[n+]1ccccc1)c1ccccc1 ZINC000001663942 342707323 /nfs/dbraw/zinc/70/73/23/342707323.db2.gz DCSROCDDJGNFSC-OAHLLOKOSA-N 1 0 242.298 2.279 40 0 BEABRO CCCCC[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000005203236 342760261 /nfs/dbraw/zinc/76/02/61/342760261.db2.gz JCVNEDPQGZFHAT-GFCCVEGCSA-N 1 0 242.363 2.339 40 0 BEABRO CCC[C@H](O)C[NH2+]Cc1ccc2ncccc2c1 ZINC000005422059 342763509 /nfs/dbraw/zinc/76/35/09/342763509.db2.gz KURJUJBBDDPEKM-AWEZNQCLSA-N 1 0 244.338 2.485 40 0 BEABRO CC(C)CCOc1ccccc1[C@H](O)C[NH3+] ZINC000072220126 259319414 /nfs/dbraw/zinc/31/94/14/259319414.db2.gz ROWQZOXBSBHRFP-GFCCVEGCSA-N 1 0 223.316 2.104 40 0 BEABRO Cc1cc(C[NH3+])cnc1N1CCCCCC1 ZINC000072222480 259320047 /nfs/dbraw/zinc/32/00/47/259320047.db2.gz HUZHLRSHHPDKTQ-UHFFFAOYSA-N 1 0 219.332 2.229 40 0 BEABRO Cc1cc(Br)ncc1[C@@H](C)[NH3+] ZINC000072222958 259320889 /nfs/dbraw/zinc/32/08/89/259320889.db2.gz GNZUOBDXTRYTDP-ZCFIWIBFSA-N 1 0 215.094 2.172 40 0 BEABRO CNc1cc(C)c([C@@H]([NH3+])c2ccccc2)cn1 ZINC000072223067 259320790 /nfs/dbraw/zinc/32/07/90/259320790.db2.gz BLWYEBPBLPGCDB-AWEZNQCLSA-N 1 0 227.311 2.480 40 0 BEABRO Cc1ccnc(C)c1[C@@H](C)O[C@H]1CC[NH2+]C1 ZINC000242495970 259326107 /nfs/dbraw/zinc/32/61/07/259326107.db2.gz GWAWNDBDTSHGCH-NEPJUHHUSA-N 1 0 220.316 2.138 40 0 BEABRO Cc1cc(C(F)(F)F)nc([C@H]2CCC[NH2+]C2)n1 ZINC000019686168 133452271 /nfs/dbraw/zinc/45/22/71/133452271.db2.gz VTNABKZXZNNMOK-QMMMGPOBSA-N 1 0 245.248 2.271 40 0 BEABRO CCOc1ccccc1[C@@H](C)[NH2+]CCOC ZINC000019881629 342960767 /nfs/dbraw/zinc/96/07/67/342960767.db2.gz RFWADLABSAHHKJ-LLVKDONJSA-N 1 0 223.316 2.382 40 0 BEABRO C[C@H]([NH3+])[C@@H]1C[C@@H]1c1ccc(N(C)C)cc1 ZINC000020594531 342992386 /nfs/dbraw/zinc/99/23/86/342992386.db2.gz VTBIATVXDXCNEC-TVYUQYBPSA-N 1 0 204.317 2.203 40 0 BEABRO COC(=O)[C@@H](C(C)C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000022123347 343040383 /nfs/dbraw/zinc/04/03/83/343040383.db2.gz XGODMWPEWRNOJL-IJLUTSLNSA-N 1 0 227.348 2.162 40 0 BEABRO CC[C@](C)(C(=O)OC)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000022123493 343040385 /nfs/dbraw/zinc/04/03/85/343040385.db2.gz IMWNBBNBQVEZCR-NQBHXWOUSA-N 1 0 227.348 2.306 40 0 BEABRO [NH3+][C@H]1CCc2cccc(Br)c2C1 ZINC000022198604 343044097 /nfs/dbraw/zinc/04/40/97/343044097.db2.gz YNXLDZYAFGPNHL-QMMMGPOBSA-N 1 0 226.117 2.265 40 0 BEABRO CC(C)(C)[C@@H](O)C[NH2+]Cc1ccccc1 ZINC000026897854 343110542 /nfs/dbraw/zinc/11/05/42/343110542.db2.gz IIIQLKNDWDXXNP-LBPRGKRZSA-N 1 0 207.317 2.183 40 0 BEABRO COC(=O)[C@H](C)C[NH2+][C@H](C)c1ccccc1 ZINC000035133483 343286037 /nfs/dbraw/zinc/28/60/37/343286037.db2.gz KIJCPIKSICZNKI-GHMZBOCLSA-N 1 0 221.300 2.146 40 0 BEABRO Fc1cccc(-c2nnc(C3CC[NH2+]CC3)o2)c1 ZINC000019780355 343256268 /nfs/dbraw/zinc/25/62/68/343256268.db2.gz RPGYXJYMAXIPOD-UHFFFAOYSA-N 1 0 247.273 2.343 40 0 BEABRO CC(C)N(Cc1ccc(Cl)cc1)C(=O)C[NH3+] ZINC000032090449 343290826 /nfs/dbraw/zinc/29/08/26/343290826.db2.gz DRRLKNIAFHDRJM-UHFFFAOYSA-N 1 0 240.734 2.036 40 0 BEABRO CC(C)(C)OC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000034781620 187257308 /nfs/dbraw/zinc/25/73/08/187257308.db2.gz VNULYAAMWXJKNO-LLVKDONJSA-N 1 0 242.363 2.419 40 0 BEABRO C[C@@H](C[NH3+])c1cccc(OC(F)F)c1 ZINC000037245905 343340861 /nfs/dbraw/zinc/34/08/61/343340861.db2.gz ARDHVAPZVXMAEQ-ZETCQYMHSA-N 1 0 201.216 2.350 40 0 BEABRO [NH3+][C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000037381422 343344230 /nfs/dbraw/zinc/34/42/30/343344230.db2.gz QOLIRVSGYNYCCI-HTQZYQBOSA-N 1 0 217.190 2.400 40 0 BEABRO C[C@@H](C[NH2+]C(C)(C)C)C(=O)OC(C)(C)C ZINC000047219146 343559664 /nfs/dbraw/zinc/55/96/64/343559664.db2.gz WTSKXLVCKPVEPI-VIFPVBQESA-N 1 0 215.337 2.352 40 0 BEABRO CC(C)[N@H+](CCO)Cc1ccc(F)cc1 ZINC000049824733 187270546 /nfs/dbraw/zinc/27/05/46/187270546.db2.gz OXYPFZHNYHDAOA-UHFFFAOYSA-N 1 0 211.280 2.028 40 0 BEABRO CCN1CCC[C@H]1C[NH2+]CCCC1CC1 ZINC000096528426 343759058 /nfs/dbraw/zinc/75/90/58/343759058.db2.gz XHBNKOVUKJPPPU-ZDUSSCGKSA-N 1 0 210.365 2.251 40 0 BEABRO CC(C)N1CCCC[C@@H](C2CC[NH2+]CC2)C1=O ZINC000072343505 187276521 /nfs/dbraw/zinc/27/65/21/187276521.db2.gz VRYLWURBECVNDK-ZDUSSCGKSA-N 1 0 238.375 2.023 40 0 BEABRO Cc1ccccc1[C@@H](C[NH3+])N1C[C@@H](C)O[C@H](C)C1 ZINC000022163987 343913153 /nfs/dbraw/zinc/91/31/53/343913153.db2.gz KUIMRTKOXCKTBR-UMVBOHGHSA-N 1 0 248.370 2.104 40 0 BEABRO C[N@@H+]1CCC[C@@H](C(=O)NC2CCCCCC2)C1 ZINC000082317354 187281955 /nfs/dbraw/zinc/28/19/55/187281955.db2.gz KUIQQBKDGDLPQQ-GFCCVEGCSA-N 1 0 238.375 2.167 40 0 BEABRO CCOC(=O)[C@@H]1CC[NH2+][C@@H]1c1cccc(F)c1 ZINC000257197787 344239831 /nfs/dbraw/zinc/23/98/31/344239831.db2.gz JEAZYSLWBMPPRO-VXGBXAGGSA-N 1 0 237.274 2.039 40 0 BEABRO CO[C@]1(COc2ccccc2C)CCC[NH2+]C1 ZINC000585274803 344396994 /nfs/dbraw/zinc/39/69/94/344396994.db2.gz OCBNHEIGMQEHMQ-CQSZACIVSA-N 1 0 235.327 2.142 40 0 BEABRO [NH3+][C@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000037240534 344497471 /nfs/dbraw/zinc/49/74/71/344497471.db2.gz YOMPPYYXVAZSTL-NSHDSACASA-N 1 0 244.260 2.238 40 0 BEABRO Nc1cccc(C2=[NH+][C@@H]3C=CC=C[C@H]3N=C2)c1 ZINC000000169287 344586857 /nfs/dbraw/zinc/58/68/57/344586857.db2.gz NXWUUVBGDHHZDU-CHWSQXEVSA-N 1 0 223.279 2.006 40 0 BEABRO [NH3+]Cc1cnn([C@@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000514264587 344908199 /nfs/dbraw/zinc/90/81/99/344908199.db2.gz KOZJAARUXDZAIJ-QWHCGFSZSA-N 1 0 231.274 2.210 40 0 BEABRO COc1ccc(CN[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000218855324 187319131 /nfs/dbraw/zinc/31/91/31/187319131.db2.gz KQAPSBRQIROFNT-ZIAGYGMSSA-N 1 0 234.343 2.055 40 0 BEABRO CCCn1cnc2c1CCC[C@H]2CC[NH3+] ZINC000217784084 187319171 /nfs/dbraw/zinc/31/91/71/187319171.db2.gz PIKKXKMYCILZCV-JTQLQIEISA-N 1 0 207.321 2.062 40 0 BEABRO CC(C)(C)[NH2+]C[C@@H](O)c1cccc(O)c1Cl ZINC000039233495 346287272 /nfs/dbraw/zinc/28/72/72/346287272.db2.gz DLLAFIBSOHRYIT-SNVBAGLBSA-N 1 0 243.734 2.467 40 0 BEABRO Cc1cccc(C[NH+]2CCC(O)CC2)c1F ZINC000038539603 179075019 /nfs/dbraw/zinc/07/50/19/179075019.db2.gz YENNTHOKZMAIGP-UHFFFAOYSA-N 1 0 223.291 2.091 40 0 BEABRO Cc1cccc(Cl)c1CN1CC[C@H]([NH3+])C1 ZINC000038539010 179108317 /nfs/dbraw/zinc/10/83/17/179108317.db2.gz GSVBRAIEDJSABH-JTQLQIEISA-N 1 0 224.735 2.181 40 0 BEABRO Cc1cccc(OC[C@H](O)C[NH2+]C(C)C)c1C ZINC000026780468 179170801 /nfs/dbraw/zinc/17/08/01/179170801.db2.gz YDNBUDLNDAAOEH-CYBMUJFWSA-N 1 0 237.343 2.041 40 0 BEABRO CC[NH+](CC)Cc1ccc(NC(N)=S)cc1 ZINC000020160458 347362140 /nfs/dbraw/zinc/36/21/40/347362140.db2.gz XPZJUXDZOMKCRB-UHFFFAOYSA-N 1 0 237.372 2.184 40 0 BEABRO c1csc(-c2cccc(C[C@@H]3CC[NH2+]C3)n2)n1 ZINC000205690983 347450167 /nfs/dbraw/zinc/45/01/67/347450167.db2.gz GQUMRYBZDRUMNH-JTQLQIEISA-N 1 0 245.351 2.357 40 0 BEABRO Cc1ccccc1-c1cnn([C@H](C)C[NH3+])c1 ZINC000085391508 179236312 /nfs/dbraw/zinc/23/63/12/179236312.db2.gz BTIICKLDGUKPPF-LLVKDONJSA-N 1 0 215.300 2.378 40 0 BEABRO Cc1ccccc1-c1nnc([C@@H]2CCC[NH2+]2)o1 ZINC000032015754 179240150 /nfs/dbraw/zinc/24/01/50/179240150.db2.gz ZQRLQGBRKAQQNS-NSHDSACASA-N 1 0 229.283 2.470 40 0 BEABRO CC[C@@H](C)[NH2+]Cc1ccc(O)c(OC)c1 ZINC000019881842 347517200 /nfs/dbraw/zinc/51/72/00/347517200.db2.gz GAWZWSLGHXRVHE-SECBINFHSA-N 1 0 209.289 2.289 40 0 BEABRO Cc1ccc(N2CC[NH2+][C@@H]3CCC[C@H]32)c(F)c1 ZINC000218848775 259401865 /nfs/dbraw/zinc/40/18/65/259401865.db2.gz WCLVXNUMFSIOLP-TZMCWYRMSA-N 1 0 234.318 2.465 40 0 BEABRO Cc1ccc(CN2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000038539778 348704509 /nfs/dbraw/zinc/70/45/09/348704509.db2.gz RYCXZXKVRYQRMU-CQSZACIVSA-N 1 0 218.344 2.227 40 0 BEABRO [NH3+][C@H]1CCN(Cc2c(F)cccc2Cl)C1 ZINC000038539024 348709978 /nfs/dbraw/zinc/70/99/78/348709978.db2.gz VOKNENBWHURHLP-QMMMGPOBSA-N 1 0 228.698 2.012 40 0 BEABRO Cc1nc2ccccc2n1C[C@H]1CCC[NH2+]C1 ZINC000043472085 180103015 /nfs/dbraw/zinc/10/30/15/180103015.db2.gz ZBFZJBXGSRCXMM-LBPRGKRZSA-N 1 0 229.327 2.344 40 0 BEABRO Cc1nccc([C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000072350797 180207601 /nfs/dbraw/zinc/20/76/01/180207601.db2.gz SEOHCZWTMQGHPF-CYBMUJFWSA-N 1 0 231.343 2.374 40 0 BEABRO CC(C)(C)OC(=O)N[C@@]1(C)CCC[C@H]([NH3+])C1 ZINC000216550243 350225020 /nfs/dbraw/zinc/22/50/20/350225020.db2.gz PIBNHYAGDOXHSE-CABZTGNLSA-N 1 0 228.336 2.171 40 0 BEABRO [NH3+][C@H](c1ccccc1)C1(O)CCCCC1 ZINC000034099952 350256553 /nfs/dbraw/zinc/25/65/53/350256553.db2.gz QYZQCUZVVZWJDT-GFCCVEGCSA-N 1 0 205.301 2.382 40 0 BEABRO Cc1nn(C)c(C)c1[C@@H]1CCCCC[NH2+]1 ZINC000083287526 180347439 /nfs/dbraw/zinc/34/74/39/180347439.db2.gz TYEYEGUXCAFYCB-NSHDSACASA-N 1 0 207.321 2.242 40 0 BEABRO Cc1nn(C2CCCCC2)c(C)c1C[NH3+] ZINC000020397161 180385545 /nfs/dbraw/zinc/38/55/45/180385545.db2.gz LDMZETMULDISGO-UHFFFAOYSA-N 1 0 207.321 2.464 40 0 BEABRO [NH3+][C@@H]1CCN(Cc2ccc(Cl)c(F)c2)C1 ZINC000038538922 362960283 /nfs/dbraw/zinc/96/02/83/362960283.db2.gz DQDWSEZPVNIQON-SECBINFHSA-N 1 0 228.698 2.012 40 0 BEABRO Clc1ccc(Cl)c(CN[C@@H]2CC[NH2+]C2)c1 ZINC000072203638 180581597 /nfs/dbraw/zinc/58/15/97/180581597.db2.gz GEKKQTZSFZPESS-SNVBAGLBSA-N 1 0 245.153 2.445 40 0 BEABRO Cc1cccc(-c2noc(CSC(N)=[NH2+])n2)c1 ZINC000089261509 187972686 /nfs/dbraw/zinc/97/26/86/187972686.db2.gz IHLRLLJULCARQE-UHFFFAOYSA-N 1 0 248.311 2.172 40 0 BEABRO C[n+]1ccc2c(Br)cccc2c1 ZINC000001710739 188274147 /nfs/dbraw/zinc/27/41/47/188274147.db2.gz YCTNBTWOYBICJY-UHFFFAOYSA-N 1 0 223.093 2.427 40 0 BEABRO CC(=O)O[C@@H]1C[N@@H+]2CC[C@@H]1[C@@H](c1ccccc1)C2 ZINC000013425423 188279512 /nfs/dbraw/zinc/27/95/12/188279512.db2.gz HZJHUAKXMXQRMD-RBSFLKMASA-N 1 0 245.322 2.037 40 0 BEABRO CNc1nccnc1[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000072361356 188306631 /nfs/dbraw/zinc/30/66/31/188306631.db2.gz UMNLONUFXOGMRG-LBPRGKRZSA-N 1 0 246.358 2.108 40 0 BEABRO CC(=O)NCc1ccc([C@@H]2CCCCC[NH2+]2)o1 ZINC000217460923 188356053 /nfs/dbraw/zinc/35/60/53/188356053.db2.gz IWFONKNXPHCYAZ-LBPRGKRZSA-N 1 0 236.315 2.120 40 0 BEABRO CCCn1cnc2c1CCC[C@@H]2CC[NH3+] ZINC000217783994 188355466 /nfs/dbraw/zinc/35/54/66/188355466.db2.gz PIKKXKMYCILZCV-SNVBAGLBSA-N 1 0 207.321 2.062 40 0 BEABRO Fc1ccc(COC2CC3(C[NH2+]C3)C2)cc1 ZINC000096509099 180971176 /nfs/dbraw/zinc/97/11/76/180971176.db2.gz CBHBBQJNOCNATE-UHFFFAOYSA-N 1 0 221.275 2.094 40 0 BEABRO Fc1ccccc1C[NH+]1CCC2(COC2)CC1 ZINC000096051228 181011226 /nfs/dbraw/zinc/01/12/26/181011226.db2.gz JGRDAZDLGPQUDK-UHFFFAOYSA-N 1 0 235.302 2.438 40 0 BEABRO NC(=[NH2+])c1ccc(C(F)(F)F)cc1F ZINC000001443061 181193563 /nfs/dbraw/zinc/19/35/63/181193563.db2.gz XPSIMQXIRRBQFF-UHFFFAOYSA-N 1 0 206.142 2.129 40 0 BEABRO NC(=[NH2+])[C@H](O)c1cccc(Oc2ccccc2)c1 ZINC000004203592 181192222 /nfs/dbraw/zinc/19/22/22/181192222.db2.gz WFWFPRKLEYPTBE-CYBMUJFWSA-N 1 0 242.278 2.448 40 0 BEABRO NC(=[NH2+])SCc1cc(F)c(F)cc1F ZINC000071980728 181192613 /nfs/dbraw/zinc/19/26/13/181192613.db2.gz UWYPWHBUJYEZGX-UHFFFAOYSA-N 1 0 220.219 2.231 40 0 BEABRO NC(=[NH2+])c1cccc(C(F)(F)F)c1F ZINC000001443066 181196292 /nfs/dbraw/zinc/19/62/92/181196292.db2.gz IMUYMHPRCIDKOK-UHFFFAOYSA-N 1 0 206.142 2.129 40 0 BEABRO [NH2+]=C1NCc2c(Cl)c(Cl)ccc2N1 ZINC000029130869 181207467 /nfs/dbraw/zinc/20/74/67/181207467.db2.gz VBKOTIVQMCTTAQ-UHFFFAOYSA-N 1 0 216.071 2.443 40 0 world BEABRO [NH3+][C@H](CC(=O)N1CCCCCC1)c1ccccc1 ZINC000019506888 356730644 /nfs/dbraw/zinc/73/06/44/356730644.db2.gz WPRJDNWVJHFNKE-CQSZACIVSA-N 1 0 246.354 2.479 40 0 BEABRO [NH3+][C@H](CO)C(c1ccccc1)c1ccccc1 ZINC000034745013 357330947 /nfs/dbraw/zinc/33/09/47/357330947.db2.gz SDDOXKGXOXANAF-CQSZACIVSA-N 1 0 227.307 2.138 40 0 BEABRO CCN(C)c1ccc([C@H]2CCCC[NH2+]2)cn1 ZINC000072212729 259525939 /nfs/dbraw/zinc/52/59/39/259525939.db2.gz YXFXDYFZUCSPKL-GFCCVEGCSA-N 1 0 219.332 2.352 40 0 BEABRO CCNc1ccc(C2=[NH+]CCCC2)cn1 ZINC000072213085 259525980 /nfs/dbraw/zinc/52/59/80/259525980.db2.gz RWCGXSUCMKZKON-UHFFFAOYSA-N 1 0 203.289 2.486 40 0 BEABRO [NH3+]C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000038539831 181345217 /nfs/dbraw/zinc/34/52/17/181345217.db2.gz YHOBIUCDZRYEMR-UHFFFAOYSA-N 1 0 242.725 2.402 40 0 BEABRO [NH3+]C1CCN(Cc2cc(Cl)ccc2F)CC1 ZINC000067801030 181344617 /nfs/dbraw/zinc/34/46/17/181344617.db2.gz ILSMKUUIKFBRFY-UHFFFAOYSA-N 1 0 242.725 2.402 40 0 BEABRO CNc1ccc([C@H]2CCCC[NH2+]2)c(C)n1 ZINC000072219113 259530500 /nfs/dbraw/zinc/53/05/00/259530500.db2.gz KPQMUSMIGUCFTA-LLVKDONJSA-N 1 0 205.305 2.246 40 0 BEABRO [NH3+]CC1([C@@H](O)c2cccc(Cl)c2)CC1 ZINC000096527067 181361778 /nfs/dbraw/zinc/36/17/78/181361778.db2.gz FJCSPINWRDNSBF-JTQLQIEISA-N 1 0 211.692 2.112 40 0 BEABRO [NH3+]CC1([C@H](O)c2cccc(Cl)c2)CC1 ZINC000096527069 181361849 /nfs/dbraw/zinc/36/18/49/181361849.db2.gz FJCSPINWRDNSBF-SNVBAGLBSA-N 1 0 211.692 2.112 40 0 BEABRO [NH3+]CCCSc1ccc2c(c1)CCC(=O)N2 ZINC000218804138 181384790 /nfs/dbraw/zinc/38/47/90/181384790.db2.gz DZYRYARSJDIJMQ-UHFFFAOYSA-N 1 0 236.340 2.012 40 0 BEABRO Clc1ccccc1CNC1CC[NH2+]CC1 ZINC000038040532 368047198 /nfs/dbraw/zinc/04/71/98/368047198.db2.gz YOGAWZGIPCTFTR-UHFFFAOYSA-N 1 0 224.735 2.182 40 0 BEABRO [NH3+]C[C@@]1(CO)C[C@H]1c1ccc(Cl)cc1Cl ZINC000062713459 181441056 /nfs/dbraw/zinc/44/10/56/181441056.db2.gz RGVYVANDZZIXKK-GXSJLCMTSA-N 1 0 246.137 2.418 40 0 BEABRO [NH3+]C[C@H]1CCCn2cc(-c3ccccc3)nc21 ZINC000072226604 181462881 /nfs/dbraw/zinc/46/28/81/181462881.db2.gz OJLKJKYJGPZOJI-GFCCVEGCSA-N 1 0 227.311 2.386 40 0 BEABRO COc1ccc([C@@H]2C[C@H]2[C@H](C)[NH3+])cc1OC ZINC000108019107 369372273 /nfs/dbraw/zinc/37/22/73/369372273.db2.gz HYRHCZXUDHOWNL-LSJOCFKGSA-N 1 0 221.300 2.155 40 0 BEABRO C1CCC([N@@H+]2CCN[C@H]3CCCC[C@@H]32)C1 ZINC000225711499 259540681 /nfs/dbraw/zinc/54/06/81/259540681.db2.gz ZWKJNDZNZSTNMG-STQMWFEESA-N 1 0 208.349 2.145 40 0 BEABRO Cc1c(F)cccc1N1CC[NH2+][C@@H]2CCC[C@@H]21 ZINC000225717454 259541574 /nfs/dbraw/zinc/54/15/74/259541574.db2.gz QINLAUWQAQYXRC-OCCSQVGLSA-N 1 0 234.318 2.465 40 0 BEABRO [NH3+][C@@H]1C(=O)N(c2ccccc2)C12CCCCC2 ZINC000256055058 370639673 /nfs/dbraw/zinc/63/96/73/370639673.db2.gz YYNSQSDLHOMIHV-GFCCVEGCSA-N 1 0 230.311 2.063 40 0 BEABRO [NH3+][C@H]1C[C@H]1c1ccc(Br)s1 ZINC000037381251 181660208 /nfs/dbraw/zinc/66/02/08/181660208.db2.gz YOZWARUYCJJUCK-UHNVWZDZSA-N 1 0 218.119 2.325 40 0 BEABRO C[C@H]1C[C@@H]2[C@@H](C[C@@H](C(F)(F)F)C[C@@H]2[NH3+])O1 ZINC000225763157 371574982 /nfs/dbraw/zinc/57/49/82/371574982.db2.gz DXOFCJWXXLMFIJ-VCQFTWBDSA-N 1 0 223.238 2.080 40 0 BEABRO Nc1nc2nc([C@H]3CCCC[NH2+]3)ccc2s1 ZINC000257198016 181796132 /nfs/dbraw/zinc/79/61/32/181796132.db2.gz QISLSIFHCWIKJL-SSDOTTSWSA-N 1 0 234.328 2.088 40 0 BEABRO C[C@@H](O[C@H]1CC[NH2+]C1)c1cnccc1Cl ZINC000252497799 259548314 /nfs/dbraw/zinc/54/83/14/259548314.db2.gz QQODXIPCGBFVFU-BDAKNGLRSA-N 1 0 226.707 2.175 40 0 BEABRO Clc1ncc(COC2CC[NH2+]CC2)s1 ZINC000040434260 373261911 /nfs/dbraw/zinc/26/19/11/373261911.db2.gz VDCALBFUHDDRCK-UHFFFAOYSA-N 1 0 232.736 2.065 40 0 BEABRO O=C(NCCC[NH+]1CCCCC1)C1CCCC1 ZINC000072781854 182166935 /nfs/dbraw/zinc/16/69/35/182166935.db2.gz GYEIEJSXXHLRPB-UHFFFAOYSA-N 1 0 238.375 2.169 40 0 BEABRO O=C1c2ccccc2CC[C@H]1[C@H]1CCC[NH2+]1 ZINC000019375178 182845357 /nfs/dbraw/zinc/84/53/57/182845357.db2.gz HDNRBVRWENYZLC-QWHCGFSZSA-N 1 0 215.296 2.184 40 0 BEABRO OCC[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000048065472 183067856 /nfs/dbraw/zinc/06/78/56/183067856.db2.gz WIYBLXNTQXGJAY-UHFFFAOYSA-N 1 0 225.719 2.297 40 0 BEABRO OCC[N@H+](Cc1ccccc1Cl)C1CC1 ZINC000048065323 183070507 /nfs/dbraw/zinc/07/05/07/183070507.db2.gz BPVYWFWJIDTCEK-UHFFFAOYSA-N 1 0 225.719 2.297 40 0 BEABRO OCC[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000267149262 183073039 /nfs/dbraw/zinc/07/30/39/183073039.db2.gz LRWYKHYOXDLBEW-UHFFFAOYSA-N 1 0 237.318 2.073 40 0 BEABRO OC[C@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000013568177 183148778 /nfs/dbraw/zinc/14/87/78/183148778.db2.gz KRIDCXMQJUMNJH-LBPRGKRZSA-N 1 0 244.338 2.372 40 0 BEABRO O[C@H](C[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000001567968 183227299 /nfs/dbraw/zinc/22/72/99/183227299.db2.gz OPZVPQVONVBYTF-QWHCGFSZSA-N 1 0 205.301 2.252 40 0 BEABRO O[C@H](C[n+]1ccccc1)c1c[nH]c2ccccc12 ZINC000006567684 183227718 /nfs/dbraw/zinc/22/77/18/183227718.db2.gz GBIXMBKNGGDDHG-OAHLLOKOSA-N 1 0 239.298 2.189 40 0 BEABRO O[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000043367777 183250230 /nfs/dbraw/zinc/25/02/30/183250230.db2.gz YVSFZFJTNXEQJG-LLVKDONJSA-N 1 0 245.244 2.186 40 0 BEABRO O[C@]1(c2ccc(F)cc2)CCC[C@H]2C[NH2+]C[C@H]21 ZINC000229943732 183251245 /nfs/dbraw/zinc/25/12/45/183251245.db2.gz KADNKMBDWLQVRJ-GDLCADMTSA-N 1 0 235.302 2.033 40 0 BEABRO O[C@]1(c2ccc(F)cc2)CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC000013997960 183252197 /nfs/dbraw/zinc/25/21/97/183252197.db2.gz KADNKMBDWLQVRJ-SWHYSGLUSA-N 1 0 235.302 2.033 40 0 BEABRO O[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000004202941 183236075 /nfs/dbraw/zinc/23/60/75/183236075.db2.gz DIIHLEFTHZLGSR-ZDUSSCGKSA-N 1 0 205.301 2.033 40 0 BEABRO c1c2c(nn1C1CCCC1)C[C@H]1CC[C@@H]2[NH2+]1 ZINC000096510253 183323961 /nfs/dbraw/zinc/32/39/61/183323961.db2.gz MNUNPCMEPFJAOI-SKDRFNHKSA-N 1 0 217.316 2.347 40 0 BEABRO CCC[N@@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC000096255117 169208810 /nfs/dbraw/zinc/20/88/10/169208810.db2.gz XLHUOGREMKSUGX-UHFFFAOYSA-N 1 0 231.343 2.165 40 0 BEABRO c1[nH]nc2cccc(C[C@H]3CCC[NH2+]CC3)c12 ZINC000257198304 183355579 /nfs/dbraw/zinc/35/55/79/183355579.db2.gz YPKKPDZCQSRPPY-NSHDSACASA-N 1 0 229.327 2.495 40 0 BEABRO c1cc2c(s1)CC[NH2+][C@@H]2COCC1CC1 ZINC000096526594 183372846 /nfs/dbraw/zinc/37/28/46/183372846.db2.gz HWVGGMRNIODNRW-LLVKDONJSA-N 1 0 223.341 2.362 40 0 BEABRO c1ccc(-c2nc([C@@H]3CCC[NH2+]3)no2)cc1 ZINC000070131297 183382359 /nfs/dbraw/zinc/38/23/59/183382359.db2.gz DAPALCXWAIUWGM-JTQLQIEISA-N 1 0 215.256 2.161 40 0 BEABRO c1cc([C@@H]2CCC[NH2+]C2)n(C2CCCC2)n1 ZINC000095093748 183361970 /nfs/dbraw/zinc/36/19/70/183361970.db2.gz AYVJLFQDWMKHNO-LLVKDONJSA-N 1 0 219.332 2.465 40 0 BEABRO c1ccc(-[n+]2nc3c4ccccc4ccn3n2)cc1 ZINC000002556058 183386510 /nfs/dbraw/zinc/38/65/10/183386510.db2.gz HTIKOTCKZZJGCQ-UHFFFAOYSA-N 1 0 247.281 2.159 40 0 BEABRO c1ccc(CN(C2CC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC000079437996 183396474 /nfs/dbraw/zinc/39/64/74/183396474.db2.gz MQWGGUMLYJKQFK-OAHLLOKOSA-N 1 0 230.355 2.403 40 0 BEABRO c1ccc(CN(C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000079437975 183396849 /nfs/dbraw/zinc/39/68/49/183396849.db2.gz FBLJWEZDOUIJOT-CQSZACIVSA-N 1 0 216.328 2.013 40 0 BEABRO c1ccc(CN(C[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000079437985 183397625 /nfs/dbraw/zinc/39/76/25/183397625.db2.gz AXIKROJKPGHWDS-CQSZACIVSA-N 1 0 230.355 2.403 40 0 BEABRO CCCO[C@@H](C[NH3+])C(Cl)(Cl)Cl ZINC000006380671 169311004 /nfs/dbraw/zinc/31/10/04/169311004.db2.gz VDMYOJJPIVHVOE-YFKPBYRVSA-N 1 0 220.527 2.111 40 0 BEABRO CCC[C@@H](C(=O)OC)[NH+]1CCCCCC1 ZINC000022538730 169346464 /nfs/dbraw/zinc/34/64/64/169346464.db2.gz YCCIMRALIAVERT-NSHDSACASA-N 1 0 213.321 2.204 40 0 BEABRO c1ncc(-c2cncc(C3CC[NH2+]CC3)n2)s1 ZINC000257320910 183541077 /nfs/dbraw/zinc/54/10/77/183541077.db2.gz VZFVADREMOXEMS-UHFFFAOYSA-N 1 0 246.339 2.067 40 0 BEABRO Cc1nccn1-c1cccc([C@@H]2CCC[NH2+]2)n1 ZINC000072355929 383839801 /nfs/dbraw/zinc/83/98/01/383839801.db2.gz KNUWXIWCRCDCSN-NSHDSACASA-N 1 0 228.299 2.000 40 0 BEABRO CCN(CC[NH3+])Cc1ccc(Cl)cc1 ZINC000039318905 383901327 /nfs/dbraw/zinc/90/13/27/383901327.db2.gz OJJLINUDLBPOAS-UHFFFAOYSA-N 1 0 212.724 2.121 40 0 BEABRO CCOP(=O)(OCC)[C@@]1(C)CCC[N+]1=O ZINC000002572486 383979256 /nfs/dbraw/zinc/97/92/56/383979256.db2.gz OKCDBZSDRSXFIB-VIFPVBQESA-N 1 0 235.220 2.344 40 0 in-vitro BEABRO [NH3+]C[C@@H](c1ccc(F)c(F)c1)N1CCCCC1 ZINC000022167658 383984283 /nfs/dbraw/zinc/98/42/83/383984283.db2.gz LFQMPKMMYCOMEV-ZDUSSCGKSA-N 1 0 240.297 2.451 40 0 BEABRO Fc1ccc(CN2CCC[NH2+]CC2)cc1Cl ZINC000067796700 383946663 /nfs/dbraw/zinc/94/66/63/383946663.db2.gz FUGDGRKADLBQKD-UHFFFAOYSA-N 1 0 242.725 2.274 40 0 BEABRO C[NH+](C)C[C@@H]1CCCC[C@@]1(O)c1cccc(O)c1 ZINC000002243733 383955595 /nfs/dbraw/zinc/95/55/95/383955595.db2.gz UWJUQVWARXYRCG-DZGCQCFKSA-N 1 0 249.354 2.332 40 0 world BEABRO C[C@@H]1Cc2cc(C(=O)CC[NH+](C)C)ccc2O1 ZINC000005530589 384117897 /nfs/dbraw/zinc/11/78/97/384117897.db2.gz VBYSKZXLNUGJFA-SNVBAGLBSA-N 1 0 233.311 2.144 40 0 BEABRO Cc1ccsc1CN(C(=O)[C@H](C)[NH3+])C(C)C ZINC000079436445 384146744 /nfs/dbraw/zinc/14/67/44/384146744.db2.gz MTIUQMLNOPMRQM-JTQLQIEISA-N 1 0 240.372 2.141 40 0 BEABRO C[NH2+][C@H]1CCCC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC000079437582 384146751 /nfs/dbraw/zinc/14/67/51/384146751.db2.gz SSLOSKCKBZUWFU-QWRGUYRKSA-N 1 0 242.363 2.384 40 0 BEABRO Cc1ccc(C)c(C[C@H](O)C[NH2+]CC(C)C)c1 ZINC000006522323 384155646 /nfs/dbraw/zinc/15/56/46/384155646.db2.gz BAOQPSLEFOGGTO-HNNXBMFYSA-N 1 0 235.371 2.452 40 0 BEABRO Cc1cccc(CN(C(=O)[C@H](C)[NH3+])C(C)C)c1 ZINC000079420580 384144350 /nfs/dbraw/zinc/14/43/50/384144350.db2.gz KWJPLAJNEMOXGN-LBPRGKRZSA-N 1 0 234.343 2.079 40 0 BEABRO COC[C@H]([NH3+])c1ccc(Br)cc1 ZINC000071534511 384171963 /nfs/dbraw/zinc/17/19/63/384171963.db2.gz AOPHCXXWOIWZSC-VIFPVBQESA-N 1 0 230.105 2.095 40 0 BEABRO [NH3+]CCc1cccn1Cc1ccccc1 ZINC000071508046 384169817 /nfs/dbraw/zinc/16/98/17/384169817.db2.gz BNVBDINXRYYIJG-UHFFFAOYSA-N 1 0 200.285 2.038 40 0 BEABRO C[C@H](CN1CC[NH2+]C[C@@H]1C)c1ccccc1 ZINC000071978859 384190757 /nfs/dbraw/zinc/19/07/57/384190757.db2.gz PFCGFSCWLYDURJ-OLZOCXBDSA-N 1 0 218.344 2.084 40 0 BEABRO CN(Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000043501382 384191305 /nfs/dbraw/zinc/19/13/05/384191305.db2.gz KZDLUXFYCLSDKJ-ZDUSSCGKSA-N 1 0 222.307 2.010 40 0 BEABRO Cc1c[nH+]c(N2CCC(C)CC2)c(N)c1 ZINC000082532455 384235326 /nfs/dbraw/zinc/23/53/26/384235326.db2.gz PWWXOSFWYNYNFH-UHFFFAOYSA-N 1 0 205.305 2.209 40 0 BEABRO CNc1cc(C[C@@H]2CCC[N@@H+](C(C)C)C2)ncn1 ZINC000072356988 384210238 /nfs/dbraw/zinc/21/02/38/384210238.db2.gz ANCBIONJYYCODZ-LBPRGKRZSA-N 1 0 248.374 2.181 40 0 BEABRO CNc1cc(C2CC[NH+](C(C)C)CC2)nc(C)n1 ZINC000072351952 384210665 /nfs/dbraw/zinc/21/06/65/384210665.db2.gz SLENIHDRTKUJFY-UHFFFAOYSA-N 1 0 248.374 2.415 40 0 BEABRO Cc1noc([C@@H]2CCCN2Cc2ccccn2)n1 ZINC000072357081 384210799 /nfs/dbraw/zinc/21/07/99/384210799.db2.gz NAXWJMOYFRMAEZ-LBPRGKRZSA-N 1 0 244.298 2.110 40 0 BEABRO Cc1c[nH]nc1[C@H]1CCCN1Cc1ccccn1 ZINC000072357080 384210814 /nfs/dbraw/zinc/21/08/14/384210814.db2.gz HLXNNVLALVNKFG-CYBMUJFWSA-N 1 0 242.326 2.450 40 0 BEABRO Cc1c[nH]nc1[C@@H]1CCCN1Cc1ccccn1 ZINC000072357079 384211205 /nfs/dbraw/zinc/21/12/05/384211205.db2.gz HLXNNVLALVNKFG-ZDUSSCGKSA-N 1 0 242.326 2.450 40 0 BEABRO c1cnc2n[nH]c(C3C[NH+](C4CCCC4)C3)c2c1 ZINC000072356834 384211349 /nfs/dbraw/zinc/21/13/49/384211349.db2.gz PETPHYBKHRPZCD-UHFFFAOYSA-N 1 0 242.326 2.300 40 0 BEABRO Cc1cncnc1[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000072361347 384212943 /nfs/dbraw/zinc/21/29/43/384212943.db2.gz CLSYORIRJMMJNO-CYBMUJFWSA-N 1 0 231.343 2.374 40 0 BEABRO CC(C)(C)C[NH+]1CC(c2[nH]nc3ncccc32)C1 ZINC000072361189 384214171 /nfs/dbraw/zinc/21/41/71/384214171.db2.gz JHFCXGYUAOUCFY-UHFFFAOYSA-N 1 0 244.342 2.403 40 0 BEABRO CC(C)n1c2ccncc2nc1[C@H](C)[NH3+] ZINC000084132686 384225335 /nfs/dbraw/zinc/22/53/35/384225335.db2.gz HJAMHJUOVAXGMO-QMMMGPOBSA-N 1 0 204.277 2.032 40 0 BEABRO C[NH+](C)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000095074228 384349727 /nfs/dbraw/zinc/34/97/27/384349727.db2.gz MRTLWLJLRCXHQP-UHFFFAOYSA-N 1 0 242.363 2.338 40 0 BEABRO [NH3+]Cc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000019280628 384402824 /nfs/dbraw/zinc/40/28/24/384402824.db2.gz SPDHGEIKYQNDGS-UHFFFAOYSA-N 1 0 240.306 2.327 40 0 BEABRO CC(C)(C)OC(=O)N1CC[NH2+]C2(CCCC2)C1 ZINC000095628669 384382768 /nfs/dbraw/zinc/38/27/68/384382768.db2.gz AOFNMALRBXRCMJ-UHFFFAOYSA-N 1 0 240.347 2.140 40 0 BEABRO Cc1ccc2c(c1)C1(CC2)CC[NH+](CCO)CC1 ZINC000096241705 384446000 /nfs/dbraw/zinc/44/60/00/384446000.db2.gz OYRAMJNDOQVIFK-UHFFFAOYSA-N 1 0 245.366 2.267 40 0 BEABRO CC(C)CC(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000096227871 384446161 /nfs/dbraw/zinc/44/61/61/384446161.db2.gz ICNKTRTUGCEFRS-UHFFFAOYSA-N 1 0 238.375 2.119 40 0 BEABRO CC(C)CC[NH2+]CCC(=O)OC(C)(C)C ZINC000047218964 384447527 /nfs/dbraw/zinc/44/75/27/384447527.db2.gz NCJKQRDFUQWKDG-UHFFFAOYSA-N 1 0 215.337 2.354 40 0 BEABRO CCc1cccc2cc(C[NH2+]C3CC3)c(=O)[nH]c21 ZINC000013566697 384484080 /nfs/dbraw/zinc/48/40/80/384484080.db2.gz NRYCDZCJUHABBD-UHFFFAOYSA-N 1 0 242.322 2.343 40 0 in-vitro BEABRO CCC1(CC)N(O)C(C)=C(c2ccccc2)[N+]1=O ZINC000019331186 384516996 /nfs/dbraw/zinc/51/69/96/384516996.db2.gz PDRVEKDWFVHSDM-UHFFFAOYSA-N 1 0 246.310 2.487 40 0 BEABRO CC[C@@H](C)n1c2ccccc2nc1C[NH3+] ZINC000040163804 384544621 /nfs/dbraw/zinc/54/46/21/384544621.db2.gz QFWQUFYTCHABMK-SECBINFHSA-N 1 0 203.289 2.466 40 0 BEABRO Clc1ccc2c(c1)C1(CO2)CC[NH2+]CC1 ZINC000098213586 384605560 /nfs/dbraw/zinc/60/55/60/384605560.db2.gz NMSMJFKBMHOVQM-UHFFFAOYSA-N 1 0 223.703 2.354 40 0 BEABRO Cc1nc(-c2ccccc2)nc(C)c1C[NH3+] ZINC000020274788 384608997 /nfs/dbraw/zinc/60/89/97/384608997.db2.gz QIUCVDWVZHKQBY-UHFFFAOYSA-N 1 0 213.284 2.219 40 0 BEABRO CN(C)[C@@H]1[C@@H]([NH+](C)C)[C@H]2CC[C@]1(C)C2(C)C ZINC000138907091 384594413 /nfs/dbraw/zinc/59/44/13/384594413.db2.gz WWHMPEUSLLXFGZ-CZXHOFHRSA-N 1 0 224.392 2.303 40 0 BEABRO CC(C)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000084400580 384699133 /nfs/dbraw/zinc/69/91/33/384699133.db2.gz JKKGYJZRDNQMOF-CQSZACIVSA-N 1 0 219.328 2.279 40 0 BEABRO C[NH2+][C@]1(c2ccccc2)CCCCC1=O ZINC000053246773 384775943 /nfs/dbraw/zinc/77/59/43/384775943.db2.gz ZAGBSZSITDFFAF-ZDUSSCGKSA-N 1 0 203.285 2.244 40 0 in-vitro BEABRO CC(C)(C)OC(=O)Nc1cc(N)cc[nH+]1 ZINC000145240462 384772583 /nfs/dbraw/zinc/77/25/83/384772583.db2.gz VCKIIOUFGULFEC-UHFFFAOYSA-N 1 0 209.249 2.011 40 0 BEABRO [NH3+][C@H]1CC[C@H](N2Cc3ccc(F)cc3C2=O)CC1 ZINC000255190626 385010489 /nfs/dbraw/zinc/01/04/89/385010489.db2.gz YKBYFTQGWMFYBS-HAQNSBGRSA-N 1 0 248.301 2.051 40 0 BEABRO CC(=O)N1CCC[C@@H]1c1ccc(NC2CC2)nc1 ZINC000072213771 385083694 /nfs/dbraw/zinc/08/36/94/385083694.db2.gz GWMXLURQXMPFOB-CYBMUJFWSA-N 1 0 245.326 2.339 40 0 BEABRO c1cc(NC2CCC2)ncc1[C@H]1CCC[NH2+]1 ZINC000072213821 385084247 /nfs/dbraw/zinc/08/42/47/385084247.db2.gz AFCZPNIABDNSKA-GFCCVEGCSA-N 1 0 217.316 2.471 40 0 BEABRO CC[C@@H]([NH3+])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072208675 385060705 /nfs/dbraw/zinc/06/07/05/385060705.db2.gz PMAWBAFHGHQTEJ-LLVKDONJSA-N 1 0 242.363 2.371 40 0 BEABRO CC(C)[N@@H+]1CCC[C@H]1c1ccc(N)nc1 ZINC000072212362 385075722 /nfs/dbraw/zinc/07/57/22/385075722.db2.gz QYUXEAIYHUXLDR-NSHDSACASA-N 1 0 205.305 2.209 40 0 BEABRO CC(C)[N@@H+]1CCC[C@@H]1c1ccc[nH]c1=O ZINC000072212305 385076486 /nfs/dbraw/zinc/07/64/86/385076486.db2.gz JSIOOQLHXJQQKO-LLVKDONJSA-N 1 0 206.289 2.333 40 0 BEABRO CN(C)c1ccc([C@@H]2CCCC[N@@H+]2C)cn1 ZINC000072212611 385080236 /nfs/dbraw/zinc/08/02/36/385080236.db2.gz BXPINGFIPDUQQY-LBPRGKRZSA-N 1 0 219.332 2.304 40 0 BEABRO [NH3+]CCc1ccc(F)cc1Br ZINC000030678549 385025773 /nfs/dbraw/zinc/02/57/73/385025773.db2.gz BIPYEGPHPNEAQL-UHFFFAOYSA-N 1 0 218.069 2.089 40 0 BEABRO CCNc1ncc(C[NH2+]CCC(C)C)cn1 ZINC000062717572 385032562 /nfs/dbraw/zinc/03/25/62/385032562.db2.gz VRHVZRRKRXZLDC-UHFFFAOYSA-N 1 0 222.336 2.044 40 0 BEABRO Cc1cc([C@H](C)[NH3+])cnc1N1CCCC1 ZINC000072222441 385109133 /nfs/dbraw/zinc/10/91/33/385109133.db2.gz DHQMVGZNGUWMIG-JTQLQIEISA-N 1 0 205.305 2.010 40 0 BEABRO OCCc1ccc(NCc2ccccc2)nc1 ZINC000072225360 385112618 /nfs/dbraw/zinc/11/26/18/385112618.db2.gz LCUGHFRWFHNTHF-UHFFFAOYSA-N 1 0 228.295 2.229 40 0 BEABRO Cc1cc(N2CCCCC2)ncc1[C@@H](C)O ZINC000072223497 385113884 /nfs/dbraw/zinc/11/38/84/385113884.db2.gz BWGYQVJRCPBJOI-LLVKDONJSA-N 1 0 220.316 2.434 40 0 BEABRO CC[C@@H]([NH3+])c1ccc(N(C)CC)nc1C ZINC000072224286 385116398 /nfs/dbraw/zinc/11/63/98/385116398.db2.gz WMWJWOGONAWLLW-LLVKDONJSA-N 1 0 207.321 2.256 40 0 BEABRO Cc1nc(N2CCCCC2)ccc1[C@@H](C)[NH3+] ZINC000072224550 385119379 /nfs/dbraw/zinc/11/93/79/385119379.db2.gz ZJZXMKFJLGFPQO-SNVBAGLBSA-N 1 0 219.332 2.400 40 0 BEABRO CC[C@H]([NH3+])c1ccc(N2CCCCC2)nc1 ZINC000072225455 385121347 /nfs/dbraw/zinc/12/13/47/385121347.db2.gz MGFJYVJXWZPMDV-LBPRGKRZSA-N 1 0 219.332 2.482 40 0 BEABRO COc1ccc([C@H]2CCC[N@@H+]2C)c(C)n1 ZINC000072218062 385086742 /nfs/dbraw/zinc/08/67/42/385086742.db2.gz NIGJOFKDRUVRBO-LLVKDONJSA-N 1 0 206.289 2.165 40 0 BEABRO c1cnc(N2CCCCC2)c([C@H]2CCC[NH2+]2)c1 ZINC000072216085 385092337 /nfs/dbraw/zinc/09/23/37/385092337.db2.gz BDZBZRAHCMIYOY-CYBMUJFWSA-N 1 0 231.343 2.496 40 0 BEABRO CC[N@@H+]1CCC[C@H]1c1ccc(=O)[nH]c1C ZINC000072218192 385101841 /nfs/dbraw/zinc/10/18/41/385101841.db2.gz NKDMKHUZKDTOHC-NSHDSACASA-N 1 0 206.289 2.252 40 0 BEABRO Cc1nc(N(C)C)ccc1[C@H]1CCC[N@@H+]1C ZINC000072218726 385104272 /nfs/dbraw/zinc/10/42/72/385104272.db2.gz SJPGJTJUEQWKSO-GFCCVEGCSA-N 1 0 219.332 2.223 40 0 BEABRO Cc1cc([C@@H]2CCC[NH2+]2)cnc1N1CCCC1 ZINC000072218782 385104325 /nfs/dbraw/zinc/10/43/25/385104325.db2.gz DNXHITSWCCIYJQ-ZDUSSCGKSA-N 1 0 231.343 2.415 40 0 BEABRO Cc1nc(N(C)C)ccc1C1=[NH+]CCCC1 ZINC000072218751 385104726 /nfs/dbraw/zinc/10/47/26/385104726.db2.gz YYWOPCYSPYRWDK-UHFFFAOYSA-N 1 0 217.316 2.429 40 0 BEABRO Cc1cc(N(C)C)ncc1[C@@H]1CCCC[NH2+]1 ZINC000072218692 385105242 /nfs/dbraw/zinc/10/52/42/385105242.db2.gz BWSHREWOGWULSH-LBPRGKRZSA-N 1 0 219.332 2.271 40 0 BEABRO Cc1cc(N(C)C)ncc1[C@H]1CCCC[NH2+]1 ZINC000072218693 385105252 /nfs/dbraw/zinc/10/52/52/385105252.db2.gz BWSHREWOGWULSH-GFCCVEGCSA-N 1 0 219.332 2.271 40 0 BEABRO CCO[C@@H](C[NH3+])c1ccc(F)cc1F ZINC000062711910 385183968 /nfs/dbraw/zinc/18/39/68/385183968.db2.gz CJDWEDMCTZKSBO-JTQLQIEISA-N 1 0 201.216 2.001 40 0 BEABRO c1ccc2sc(NC3CC[NH2+]CC3)nc2c1 ZINC000034320603 385152568 /nfs/dbraw/zinc/15/25/68/385152568.db2.gz WUUOUFAOQYLHQK-UHFFFAOYSA-N 1 0 233.340 2.460 40 0 BEABRO CCS(=O)(=O)c1ccc(C[NH3+])c2ccccc21 ZINC000085390952 385156460 /nfs/dbraw/zinc/15/64/60/385156460.db2.gz GFLGPRNCNAKECJ-UHFFFAOYSA-N 1 0 249.335 2.092 40 0 BEABRO Cc1ccccc1N1[C@H](C)C[NH2+]C[C@H]1C ZINC000011632595 385171207 /nfs/dbraw/zinc/17/12/07/385171207.db2.gz NDHVNJMTOCZUEU-VXGBXAGGSA-N 1 0 204.317 2.182 40 0 BEABRO CN(C)c1cccc(CN2CCCC[C@H]2C[NH3+])c1 ZINC000096523579 385267341 /nfs/dbraw/zinc/26/73/41/385267341.db2.gz OLWAAGUGJVBJQX-HNNXBMFYSA-N 1 0 247.386 2.066 40 0 BEABRO CSCC[C@@H](N)C[N@H+](C)C1CCCCC1 ZINC000096523858 385267454 /nfs/dbraw/zinc/26/74/54/385267454.db2.gz KDYCGPHBOVVHAU-LLVKDONJSA-N 1 0 230.421 2.331 40 0 BEABRO [NH3+]C[C@H]1CCCCN1CCc1cccc(F)c1 ZINC000096523594 385268386 /nfs/dbraw/zinc/26/83/86/385268386.db2.gz TWHDMAONWCCENB-CQSZACIVSA-N 1 0 236.334 2.181 40 0 BEABRO [NH3+]C[C@H]1CCCCN1CCc1ccc(F)cc1 ZINC000096523598 385268577 /nfs/dbraw/zinc/26/85/77/385268577.db2.gz RWAPTHDGEHBIDG-CQSZACIVSA-N 1 0 236.334 2.181 40 0 BEABRO C[C@H]([NH3+])CN1CC=C(c2ccccc2)CC1 ZINC000096523884 385270678 /nfs/dbraw/zinc/27/06/78/385270678.db2.gz FILVYYGZXTXEBE-LBPRGKRZSA-N 1 0 216.328 2.123 40 0 BEABRO [NH3+]Cc1cc2c(nc1OCC(F)F)CCCC2 ZINC000095097310 385424593 /nfs/dbraw/zinc/42/45/93/385424593.db2.gz MRWIAEVARRCNTM-UHFFFAOYSA-N 1 0 242.269 2.063 40 0 BEABRO C[NH2+][C@H]1CCc2c1cnn2C1CCCC1 ZINC000095098092 385483432 /nfs/dbraw/zinc/48/34/32/385483432.db2.gz UZOCPRYMBCCRRV-NSHDSACASA-N 1 0 205.305 2.205 40 0 BEABRO COC(=O)c1ccc(C[NH+]2CCCCCC2)o1 ZINC000022201719 385686002 /nfs/dbraw/zinc/68/60/02/385686002.db2.gz AXZXQVDMDNASHJ-UHFFFAOYSA-N 1 0 237.299 2.442 40 0 BEABRO Cc1c[nH]nc1[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000257237855 385755547 /nfs/dbraw/zinc/75/55/47/385755547.db2.gz HIMTWKHQLQMUCM-ZDUSSCGKSA-N 1 0 242.326 2.103 40 0 BEABRO CNc1cncc([C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000257242019 385756201 /nfs/dbraw/zinc/75/62/01/385756201.db2.gz IARWSECSANASDI-NSHDSACASA-N 1 0 234.347 2.106 40 0 BEABRO Cc1nc(CN2CCC[C@H]3[NH2+]CCC[C@@]32C)co1 ZINC000257262525 385758409 /nfs/dbraw/zinc/75/84/09/385758409.db2.gz LLTDWEIZTDKAFG-KGLIPLIRSA-N 1 0 249.358 2.090 40 0 BEABRO CC(C)[N@H+](C)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O ZINC000257331404 385765429 /nfs/dbraw/zinc/76/54/29/385765429.db2.gz XSRVVUUKGUQBLT-ILXRZTDVSA-N 1 0 249.354 2.298 40 0 BEABRO c1cc(C[NH2+]CC2CCC2)cc2c1OCO2 ZINC000037179320 385824271 /nfs/dbraw/zinc/82/42/71/385824271.db2.gz YCHWJPZTNBFAMW-UHFFFAOYSA-N 1 0 219.284 2.305 40 0 BEABRO CO[C@H](c1nc(C[NH3+])cs1)c1ccccc1 ZINC000072417716 386090464 /nfs/dbraw/zinc/09/04/64/386090464.db2.gz UGCKBASAJDERSO-NSHDSACASA-N 1 0 234.324 2.338 40 0 BEABRO CC[C@@H](C)n1cccc1C[NH2+]CCOC ZINC000223689734 386093885 /nfs/dbraw/zinc/09/38/85/386093885.db2.gz XPBOOHOIDJNIOD-LLVKDONJSA-N 1 0 210.321 2.195 40 0 BEABRO [NH3+]C[C@H](c1ccccc1F)N1CCCCC1 ZINC000038916563 386144236 /nfs/dbraw/zinc/14/42/36/386144236.db2.gz INORNADMOBKASS-CYBMUJFWSA-N 1 0 222.307 2.311 40 0 BEABRO CSCC[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000039794786 386157837 /nfs/dbraw/zinc/15/78/37/386157837.db2.gz SAECLIOPLWNVPM-ZDUSSCGKSA-N 1 0 238.400 2.199 40 0 BEABRO Cc1ccc(O)c(C)c1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000077287195 386163952 /nfs/dbraw/zinc/16/39/52/386163952.db2.gz CVZXIWSYOWTQAS-LLVKDONJSA-N 1 0 248.326 2.090 40 0 in-vitro BEABRO C[C@@H]1O[C@H]2C[C@@H](C(F)(F)F)C[C@@H]([NH3+])[C@@H]2[C@@H]1C ZINC000225763281 386216975 /nfs/dbraw/zinc/21/69/75/386216975.db2.gz CZVKMVVAGFXBBQ-NESWFBESSA-N 1 0 237.265 2.326 40 0 BEABRO Fc1ccc(N2CC[NH2+][C@H]3CCC[C@H]32)cc1F ZINC000218849058 386262245 /nfs/dbraw/zinc/26/22/45/386262245.db2.gz APKZMGFTMSSXLC-QWHCGFSZSA-N 1 0 238.281 2.296 40 0 BEABRO Cc1c(F)cccc1N[C@H]1CCC[C@H]1[NH3+] ZINC000218882342 386507953 /nfs/dbraw/zinc/50/79/53/386507953.db2.gz QKAYBOXPNVFHOI-PWSUYJOCSA-N 1 0 208.280 2.426 40 0 BEABRO [NH3+]C[C@H](c1ccc2c(c1)CCO2)N1CCCCC1 ZINC000037363691 386453878 /nfs/dbraw/zinc/45/38/78/386453878.db2.gz LFXDJTRBOMYOPT-CQSZACIVSA-N 1 0 246.354 2.107 40 0 BEABRO [NH3+]CCc1ccc(OCc2ccccc2)c(O)c1 ZINC000065734638 386664735 /nfs/dbraw/zinc/66/47/35/386664735.db2.gz VEOXVIUXSFRYTN-UHFFFAOYSA-N 1 0 243.306 2.472 40 0 in-vitro BEABRO c1ccc2oc(NC[C@@H]3CCCC[NH2+]3)nc2c1 ZINC000044493350 386790134 /nfs/dbraw/zinc/79/01/34/386790134.db2.gz SBWSJVQGYSXXMF-JTQLQIEISA-N 1 0 231.299 2.382 40 0 BEABRO [NH3+][C@H]1CCN(Cc2ccc(F)c(Cl)c2)C1 ZINC000053157826 386816230 /nfs/dbraw/zinc/81/62/30/386816230.db2.gz GGIIGXJMCJQJQC-VIFPVBQESA-N 1 0 228.698 2.012 40 0 BEABRO CSCCC[NH2+][C@@H]1CSC[C@@H]1C ZINC000336634686 387578956 /nfs/dbraw/zinc/57/89/56/387578956.db2.gz DLMSIMVTTHMNED-DTWKUNHWSA-N 1 0 205.392 2.081 40 0 BEABRO CC(C)N(C(=O)OC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000079437650 387854734 /nfs/dbraw/zinc/85/47/34/387854734.db2.gz DRJBVMBAQADEBT-NSHDSACASA-N 1 0 242.363 2.384 40 0 BEABRO Cc1c(C[NH2+]C[C@H]2CCCO2)cnn1C(C)C ZINC000256050246 387857985 /nfs/dbraw/zinc/85/79/85/387857985.db2.gz DHFSCNMCONJDPN-CYBMUJFWSA-N 1 0 237.347 2.041 40 0 BEABRO [NH3+][C@@H]1CCCc2nc(C(F)(F)F)ccc21 ZINC000238610380 387882088 /nfs/dbraw/zinc/88/20/88/387882088.db2.gz VZPXCLWPQWQQOV-SSDOTTSWSA-N 1 0 216.206 2.437 40 0 BEABRO CC(C)c1ccc([C@H]2C[N@H+](C)C[C@H]2CO)cc1 ZINC000242592197 387907222 /nfs/dbraw/zinc/90/72/22/387907222.db2.gz OLZNQGPPDNVRMI-LSDHHAIUSA-N 1 0 233.355 2.448 40 0 BEABRO CN[C@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000050269921 387955605 /nfs/dbraw/zinc/95/56/05/387955605.db2.gz AWDHXXBQVMIWJJ-MRVPVSSYSA-N 1 0 219.115 2.213 40 0 BEABRO Cc1ccccc1[C@H](C[NH3+])N1C[C@H](C)O[C@@H](C)C1 ZINC000216108725 388353153 /nfs/dbraw/zinc/35/31/53/388353153.db2.gz KUIMRTKOXCKTBR-YDHLFZDLSA-N 1 0 248.370 2.104 40 0 BEABRO C[C@@H]1C[C@]1(C[NH3+])[C@@H](O)c1cccc(Cl)c1 ZINC000216576347 388357343 /nfs/dbraw/zinc/35/73/43/388357343.db2.gz XBJANVHKFVLHTL-JFUSQASVSA-N 1 0 225.719 2.358 40 0 BEABRO COC(=O)c1cc([C@@H]2CCC[NH2+]C2)ccc1F ZINC000038539420 388373447 /nfs/dbraw/zinc/37/34/47/388373447.db2.gz BTXXRWBLTXUMRS-SNVBAGLBSA-N 1 0 237.274 2.079 40 0 BEABRO CCN(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]CC[C@H]1C ZINC000217677571 388379400 /nfs/dbraw/zinc/37/94/00/388379400.db2.gz WQWRYKRMRBWZLF-GHMZBOCLSA-N 1 0 242.363 2.241 40 0 BEABRO Fc1ccc(F)c(N2CC[NH2+][C@H]3CCC[C@H]32)c1 ZINC000218847591 256852597 /nfs/dbraw/zinc/85/25/97/256852597.db2.gz SKVSERVTWVFWIX-NWDGAFQWSA-N 1 0 238.281 2.296 40 0 BEABRO Cc1cccc([C@@H](CCO)CC[NH+](C)C)c1 ZINC000217801093 388573263 /nfs/dbraw/zinc/57/32/63/388573263.db2.gz AUKGLQXQESVUAL-CYBMUJFWSA-N 1 0 221.344 2.413 40 0 BEABRO [NH3+]Cc1ccc(NC(=O)Cc2cccs2)cc1 ZINC000020224339 388651600 /nfs/dbraw/zinc/65/16/00/388651600.db2.gz GCAKGIIHJHZICG-UHFFFAOYSA-N 1 0 246.335 2.388 40 0 BEABRO C[C@H](O[C@H]1CC[NH2+]C1)c1cnccc1Cl ZINC000252497801 388653274 /nfs/dbraw/zinc/65/32/74/388653274.db2.gz QQODXIPCGBFVFU-IUCAKERBSA-N 1 0 226.707 2.175 40 0 BEABRO CCOc1ccc([C@H](C[NH3+])OCC)cc1 ZINC000062711880 388655297 /nfs/dbraw/zinc/65/52/97/388655297.db2.gz WQJCMZJLUSLXDF-LBPRGKRZSA-N 1 0 209.289 2.122 40 0 BEABRO Cc1cc(C)nc(NCCC[NH2+]CC(C)C)n1 ZINC000062717889 388656206 /nfs/dbraw/zinc/65/62/06/388656206.db2.gz GDELQNXRLDJICF-UHFFFAOYSA-N 1 0 236.363 2.141 40 0 BEABRO [NH3+]C[C@H]1CCCCN1Cc1ccc(F)c(F)c1 ZINC000096319958 388816723 /nfs/dbraw/zinc/81/67/23/388816723.db2.gz MSAVCWILDMVVQV-LLVKDONJSA-N 1 0 240.297 2.278 40 0 BEABRO CN1C[C@@H]([NH3+])[C@@H](c2ccc(Cl)cc2Cl)C1 ZINC000225606631 388839685 /nfs/dbraw/zinc/83/96/85/388839685.db2.gz DCULMEWANYUGGF-MWLCHTKSSA-N 1 0 245.153 2.350 40 0 BEABRO COc1cccc(N2CC[NH2+][C@H]3CCC[C@@H]32)c1 ZINC000225716561 388840697 /nfs/dbraw/zinc/84/06/97/388840697.db2.gz WXARDROQBJKFJM-KBPBESRZSA-N 1 0 232.327 2.026 40 0 BEABRO COc1ccc(CN2CC[NH2+][C@@H]3CCC[C@@H]32)cc1 ZINC000225715677 388867574 /nfs/dbraw/zinc/86/75/74/388867574.db2.gz PUTBBWFXENCFPK-CABCVRRESA-N 1 0 246.354 2.022 40 0 BEABRO Cc1cccc(N2CC[NH2+][C@@H]3CCC[C@H]32)c1 ZINC000218843724 132290671 /nfs/dbraw/zinc/29/06/71/132290671.db2.gz IRQBARHHMZTBRJ-ZIAGYGMSSA-N 1 0 216.328 2.326 40 0 BEABRO Cc1cccc(N2[C@H](C)C[NH2+]C[C@@H]2C)c1C ZINC000011632629 132319948 /nfs/dbraw/zinc/31/99/48/132319948.db2.gz HZBPUJQEOWGYGS-TXEJJXNPSA-N 1 0 218.344 2.490 40 0 BEABRO C[C@@H]1C[NH2+]C[C@@H](C)N1c1ccc(F)cc1 ZINC000011632651 132320044 /nfs/dbraw/zinc/32/00/44/132320044.db2.gz XSWIJPLJWWYSJJ-NXEZZACHSA-N 1 0 208.280 2.012 40 0 BEABRO [NH3+]C[C@H](c1cc(F)ccc1F)N1CCCCC1 ZINC000037233508 397990820 /nfs/dbraw/zinc/99/08/20/397990820.db2.gz JRJHALBZLWFAFK-CYBMUJFWSA-N 1 0 240.297 2.451 40 0 BEABRO C[NH2+]Cc1cc(OC)ccc1OC(C)C ZINC000034655785 398078234 /nfs/dbraw/zinc/07/82/34/398078234.db2.gz QYUUFBNDWQGXLF-UHFFFAOYSA-N 1 0 209.289 2.202 40 0 BEABRO [NH3+]C[C@H]1CC(c2cccc3ccccc32)=NO1 ZINC000070434924 398130459 /nfs/dbraw/zinc/13/04/59/398130459.db2.gz BMEJFQMDLZEKEL-LLVKDONJSA-N 1 0 226.279 2.292 40 0 BEABRO Br[C@@]12CCCC[C@H]1C[NH2+]CC2 ZINC000000158432 166094267 /nfs/dbraw/zinc/09/42/67/166094267.db2.gz FPUFEUQHVSBEPE-DTWKUNHWSA-N 1 0 218.138 2.304 40 0 BEABRO Brc1ccc([C@H]2CCC[NH2+]2)cn1 ZINC000072193304 166100125 /nfs/dbraw/zinc/10/01/25/166100125.db2.gz HFHUQKSKYTXHOJ-MRVPVSSYSA-N 1 0 227.105 2.269 40 0 BEABRO CC(C)[NH2+]C[C@@H](O)COc1ccccc1C1CC1 ZINC000000000659 167110418 /nfs/dbraw/zinc/11/04/18/167110418.db2.gz RTAGQMIEWAAKMO-CYBMUJFWSA-N 1 0 249.354 2.302 40 0 in-man BEABRO Cc1ccc([C@@H](N)C[NH+]2CCCC2)cc1 ZINC000019257809 410911426 /nfs/dbraw/zinc/91/14/26/410911426.db2.gz GCQBSMRUMWJULF-ZDUSSCGKSA-N 1 0 204.317 2.091 40 0 BEABRO c1nn(C2CCCC2)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000256049482 411380026 /nfs/dbraw/zinc/38/00/26/411380026.db2.gz ADJDQJOXWWFBKW-AWEZNQCLSA-N 1 0 249.358 2.267 40 0 BEABRO CC1CC[NH+](C[C@@H](N)c2ccccc2)CC1 ZINC000019821174 168182094 /nfs/dbraw/zinc/18/20/94/168182094.db2.gz VOGOMHDDDFSBNE-CQSZACIVSA-N 1 0 218.344 2.418 40 0 BEABRO CCC(=O)N(c1ccccc1)[C@@H]1CC[NH2+]C[C@@H]1C ZINC000035645899 168214075 /nfs/dbraw/zinc/21/40/75/168214075.db2.gz REORAZISQPSCHR-GXTWGEPZSA-N 1 0 246.354 2.428 40 0 in-vitro BEABRO CC[NH2+]C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072194522 170120456 /nfs/dbraw/zinc/12/04/56/170120456.db2.gz DNPZZKUZHMYHOZ-NSHDSACASA-N 1 0 242.363 2.386 40 0 BEABRO CC[NH2+]C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072194523 170122733 /nfs/dbraw/zinc/12/27/33/170122733.db2.gz DNPZZKUZHMYHOZ-LLVKDONJSA-N 1 0 242.363 2.386 40 0 BEABRO CC[NH2+][C@H](C)C(=O)c1ccccc1CC ZINC000095215383 170156786 /nfs/dbraw/zinc/15/67/86/170156786.db2.gz YHAYVXPZBPEILT-SNVBAGLBSA-N 1 0 205.301 2.430 40 0 in-vitro BEABRO CCNc1cc(C2CC2)[nH+]c(NCC)n1 ZINC000277700205 170172394 /nfs/dbraw/zinc/17/23/94/170172394.db2.gz FCGWZLOUPOTNQN-UHFFFAOYSA-N 1 0 206.293 2.218 40 0 BEABRO CCOC(=O)[C@@]12CCCC[C@@H]1[NH2+]CC=CC2 ZINC000019530251 170286704 /nfs/dbraw/zinc/28/67/04/170286704.db2.gz UYJXSESXJSHLID-WCQYABFASA-N 1 0 223.316 2.028 40 0 BEABRO CCOC(=O)c1ccc(C)nc1C1CC[NH2+]CC1 ZINC000199568019 170295738 /nfs/dbraw/zinc/29/57/38/170295738.db2.gz RVOIFDPUGSXPFG-UHFFFAOYSA-N 1 0 248.326 2.034 40 0 BEABRO CCO[C@@H](C[NH3+])c1cc(F)ccc1F ZINC000062711904 170477988 /nfs/dbraw/zinc/47/79/88/170477988.db2.gz CMTLUWBAVRYCDS-JTQLQIEISA-N 1 0 201.216 2.001 40 0 BEABRO CC[C@@H]([NH2+]C)c1cc(OC)ccc1OC ZINC000020265022 170888856 /nfs/dbraw/zinc/88/88/56/170888856.db2.gz JUWXRKAQXLRMLH-LLVKDONJSA-N 1 0 209.289 2.374 40 0 BEABRO CC[C@@H]1[NH2+]CCC[C@H]1[C@@H](O)c1ccccc1 ZINC000216536530 171146777 /nfs/dbraw/zinc/14/67/77/171146777.db2.gz HTUWJVPCNGAXBL-RDBSUJKOSA-N 1 0 219.328 2.498 40 0 BEABRO CC[C@@](C)(C(=O)OC)[N@@H+]1CCC[C@@H](C)C1 ZINC000022123474 171164064 /nfs/dbraw/zinc/16/40/64/171164064.db2.gz MGVMHLJMIWYJRP-PWSUYJOCSA-N 1 0 213.321 2.060 40 0 BEABRO CC[C@H](C(=O)N1CCC[NH2+]CC1)c1ccccc1 ZINC000019265808 171224952 /nfs/dbraw/zinc/22/49/52/171224952.db2.gz VZIAMEQWGYZXFS-AWEZNQCLSA-N 1 0 246.354 2.002 40 0 BEABRO CC[C@H](C)Nc1nc(NC(C)C)cc(C2CC2)[nH+]1 ZINC000329047004 171319939 /nfs/dbraw/zinc/31/99/39/171319939.db2.gz UDXPMHZIUBNOIH-JTQLQIEISA-N 1 0 248.374 2.229 40 0 BEABRO CN1CC2(CC[NH+](C)CC2)c2cc(F)ccc21 ZINC000096261808 173002631 /nfs/dbraw/zinc/00/26/31/173002631.db2.gz CZEFTRWYXKEQQV-UHFFFAOYSA-N 1 0 234.318 2.239 40 0 BEABRO C[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000001667106 173008205 /nfs/dbraw/zinc/00/82/05/173008205.db2.gz JGAYLCZXGQAXQC-CHWSQXEVSA-N 1 0 205.301 2.204 40 0 BEABRO C[N@@H+]1CC[C@H](c2nc3cc(F)ccc3[nH]2)C1 ZINC000049169006 173158351 /nfs/dbraw/zinc/15/83/51/173158351.db2.gz NQQIBYDITGGSFG-QMMMGPOBSA-N 1 0 219.263 2.121 40 0 biogenic,in-vitro BEABRO C[N@H+]1[C@@H]2CC[C@H]1CC(Oc1ccccc1N)C2 ZINC000020351886 173206510 /nfs/dbraw/zinc/20/65/10/173206510.db2.gz PTJMOVQHNOPZQW-FOSCPWQOSA-N 1 0 232.327 2.273 40 0 BEABRO C[NH2+]C[C@@H](OC(C)C)c1ccc(OC)cc1 ZINC000050483395 173366318 /nfs/dbraw/zinc/36/63/18/173366318.db2.gz USZXBURDLLGQGR-CYBMUJFWSA-N 1 0 223.316 2.381 40 0 BEABRO C[NH2+]C[C@@H]1CCCC[C@@]1(O)c1cccc(OC)c1 ZINC000002510775 173366813 /nfs/dbraw/zinc/36/68/13/173366813.db2.gz VUMQHLSPUAFKKK-DZGCQCFKSA-N 1 0 249.354 2.292 40 0 world BEABRO C[NH2+]C[C@H](OC(C)C)c1cccc(OC)c1 ZINC000050483673 173377406 /nfs/dbraw/zinc/37/74/06/173377406.db2.gz ZNPWOLXFTHGPMO-ZDUSSCGKSA-N 1 0 223.316 2.381 40 0 BEABRO C[NH2+]C[C@H](OC)c1cccc(Br)c1 ZINC000050482391 173377792 /nfs/dbraw/zinc/37/77/92/173377792.db2.gz NHIDADDJZRNOOE-JTQLQIEISA-N 1 0 244.132 2.356 40 0 BEABRO C[NH2+]C[C@H]1C[C@@H]1c1ccc(N(C)C)cc1 ZINC000054588465 173382942 /nfs/dbraw/zinc/38/29/42/173382942.db2.gz GBFQCYNTWBMCGP-DGCLKSJQSA-N 1 0 204.317 2.076 40 0 BEABRO C[NH2+]Cc1cccn1-c1ccccc1OC ZINC000223687830 173390109 /nfs/dbraw/zinc/39/01/09/173390109.db2.gz VUYNUSBTXNINBA-UHFFFAOYSA-N 1 0 216.284 2.205 40 0 BEABRO C[NH2+]Cc1ccccc1I ZINC000038222089 173390382 /nfs/dbraw/zinc/39/03/82/173390382.db2.gz SBNMRLNJUKMWAZ-UHFFFAOYSA-N 1 0 247.079 2.011 40 0 BEABRO COCCC[NH2+]Cc1cccn1C(C)C ZINC000113704375 174247829 /nfs/dbraw/zinc/24/78/29/174247829.db2.gz GZWRLLVIRYLFPL-UHFFFAOYSA-N 1 0 210.321 2.195 40 0 BEABRO COCCC[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000020142421 174250653 /nfs/dbraw/zinc/25/06/53/174250653.db2.gz UBQYJRPRGPVPOF-LLVKDONJSA-N 1 0 223.316 2.382 40 0 BEABRO COCCCn1cccc1C[NH2+]CC(C)C ZINC000085584129 174266481 /nfs/dbraw/zinc/26/64/81/174266481.db2.gz PIRPAIGAEBPDGC-UHFFFAOYSA-N 1 0 224.348 2.270 40 0 BEABRO COCC[NH2+]Cc1ccccc1OCC(C)C ZINC000033466299 174336093 /nfs/dbraw/zinc/33/60/93/174336093.db2.gz JJPFAKKPPHOGGB-UHFFFAOYSA-N 1 0 237.343 2.457 40 0 BEABRO COC[C@@]1(c2ccccc2)CC[C@@H]([NH3+])C1 ZINC000217812436 174523815 /nfs/dbraw/zinc/52/38/15/174523815.db2.gz XSPOKWJVSZYKEQ-CHWSQXEVSA-N 1 0 205.301 2.082 40 0 BEABRO COc1cc2cccnc2c(NCCCC[NH3+])c1 ZINC000001646656 175001241 /nfs/dbraw/zinc/00/12/41/175001241.db2.gz JVMFTXBPCRUPLQ-UHFFFAOYSA-N 1 0 245.326 2.394 40 0 BEABRO COc1ccc(/C=C/c2cccc[n+]2C)c(O)c1 ZINC000005002302 175047963 /nfs/dbraw/zinc/04/79/63/175047963.db2.gz LQVWGLZOPPBFMU-UHFFFAOYSA-O 1 0 242.298 2.396 40 0 BEABRO COc1ccc([C@@H]2C3CC[NH+]2CC3)cc1 ZINC000001865622 175182289 /nfs/dbraw/zinc/18/22/89/175182289.db2.gz QLRLZEWDPOYUOZ-CYBMUJFWSA-N 1 0 203.285 2.462 40 0 BEABRO COc1ccc([C@H](C)N[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000218887024 175190358 /nfs/dbraw/zinc/19/03/58/175190358.db2.gz GFXBIRRVJPEUAA-BPNCWPANSA-N 1 0 234.343 2.226 40 0 BEABRO COc1ccc2[nH]c([C@@H]3CCCC[NH2+]3)nc2c1 ZINC000075629701 175201680 /nfs/dbraw/zinc/20/16/80/175201680.db2.gz IKDXGJAUCVXUIK-NSHDSACASA-N 1 0 231.299 2.386 40 0 BEABRO COc1ccc2c(C[NH+](C)C)c[nH]c2c1 ZINC000002572400 175204350 /nfs/dbraw/zinc/20/43/50/175204350.db2.gz MGXIQKFKOYJROW-UHFFFAOYSA-N 1 0 204.273 2.238 40 0 in-vitro BEABRO COc1ccc2ccccc2c1C(N)=[NH2+] ZINC000001442758 175225288 /nfs/dbraw/zinc/22/52/88/175225288.db2.gz RCIGPOBMYPKFBY-UHFFFAOYSA-N 1 0 200.241 2.132 40 0 BEABRO COc1cccc(-c2nnc([C@@H]([NH3+])C(C)C)[nH]2)c1 ZINC000095534714 175236252 /nfs/dbraw/zinc/23/62/52/175236252.db2.gz OLNUFAYRHMGQEW-NSHDSACASA-N 1 0 246.314 2.136 40 0 BEABRO COc1cccc(C)c1[C@H](O)C[C@@H]1CCC[NH2+]1 ZINC000001569339 175248534 /nfs/dbraw/zinc/24/85/34/175248534.db2.gz MNGMPKYYSAWCQH-NWDGAFQWSA-N 1 0 235.327 2.179 40 0 BEABRO COc1cccc(C)c1[C@H](O)C[C@H]1CCC[NH2+]1 ZINC000001569337 175248610 /nfs/dbraw/zinc/24/86/10/175248610.db2.gz MNGMPKYYSAWCQH-VXGBXAGGSA-N 1 0 235.327 2.179 40 0 BEABRO COc1cccc(CCN2CCCC[C@H]2C[NH3+])c1 ZINC000096523575 175252065 /nfs/dbraw/zinc/25/20/65/175252065.db2.gz XQADNWWCRYWHHG-AWEZNQCLSA-N 1 0 248.370 2.051 40 0 BEABRO COc1cccc(N[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000218858218 175279713 /nfs/dbraw/zinc/27/97/13/175279713.db2.gz INOKVFDNRAAAPG-STQMWFEESA-N 1 0 220.316 2.377 40 0 BEABRO COc1cccc([C@@H](CO)[NH+]2CCCCC2)c1 ZINC000041265841 175289067 /nfs/dbraw/zinc/28/90/67/175289067.db2.gz HZKUDPSCWJQPEC-CQSZACIVSA-N 1 0 235.327 2.215 40 0 BEABRO COc1cccc([C@@]2(O)CCCC[C@@H]2C[NH3+])c1 ZINC000002525854 175291748 /nfs/dbraw/zinc/29/17/48/175291748.db2.gz QNPPIKMBCJUUTG-OCCSQVGLSA-N 1 0 235.327 2.032 40 0 in-man BEABRO COc1cccc([C@H](C)O[C@@H]2CC[NH2+]C2)c1 ZINC000096529882 175293970 /nfs/dbraw/zinc/29/39/70/175293970.db2.gz GUMLMPMDKMAAMN-GXFFZTMASA-N 1 0 221.300 2.135 40 0 BEABRO COc1ccccc1-c1noc([C@@H]2CCC[NH2+]2)n1 ZINC000035660798 175311558 /nfs/dbraw/zinc/31/15/58/175311558.db2.gz FYRINYYZJJXTTO-JTQLQIEISA-N 1 0 245.282 2.170 40 0 BEABRO COc1ccccc1-c1noc([C@H]2CCC[NH2+]2)n1 ZINC000035660799 175311996 /nfs/dbraw/zinc/31/19/96/175311996.db2.gz FYRINYYZJJXTTO-SNVBAGLBSA-N 1 0 245.282 2.170 40 0 BEABRO COc1ccccc1N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000218857898 175339016 /nfs/dbraw/zinc/33/90/16/175339016.db2.gz HKMJGMFSZBIRSZ-WDEREUQCSA-N 1 0 220.316 2.377 40 0 BEABRO C[C@@H](c1ccc(F)cc1)N(CC[NH3+])C1CC1 ZINC000079421285 176015667 /nfs/dbraw/zinc/01/56/67/176015667.db2.gz HYZGUTPQKMUOHQ-JTQLQIEISA-N 1 0 222.307 2.310 40 0 BEABRO C[C@@H](c1cccc(Cl)c1)N(C)CC[NH3+] ZINC000054416972 176017169 /nfs/dbraw/zinc/01/71/69/176017169.db2.gz OFRYUUCOXKWPLM-VIFPVBQESA-N 1 0 212.724 2.292 40 0 BEABRO C[C@@H]1CCC[N@@H+]1C[C@@H](CO)c1ccccc1 ZINC000016698209 176109002 /nfs/dbraw/zinc/10/90/02/176109002.db2.gz AYVQIOHOTIJXIA-OCCSQVGLSA-N 1 0 219.328 2.247 40 0 BEABRO C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1C[NH3+] ZINC000261507408 176253056 /nfs/dbraw/zinc/25/30/56/176253056.db2.gz IDRNXYCTWDYUQX-MNOVXSKESA-N 1 0 242.363 2.228 40 0 BEABRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccs1 ZINC000072324616 176323166 /nfs/dbraw/zinc/32/31/66/176323166.db2.gz AUFZOEMMLVUAKW-VXGBXAGGSA-N 1 0 236.384 2.417 40 0 BEABRO C[C@H]1C[C@@]1(C[NH3+])[C@@H](O)c1ccc(Cl)cc1 ZINC000216576102 177352579 /nfs/dbraw/zinc/35/25/79/177352579.db2.gz FMRUFLXRUIWCBX-UWJYBYFXSA-N 1 0 225.719 2.358 40 0 BEABRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@]1(O)Cc1ccccc1 ZINC000004128447 177387471 /nfs/dbraw/zinc/38/74/71/177387471.db2.gz YSGPBYGQFUGPJJ-IPYPFGDCSA-N 1 0 233.355 2.320 40 0 BEABRO C[C@]12C[C@@H]3C[C@](NC(N)=[NH2+])(C1)C[C@@](C)(C3)C2 ZINC000100436862 177484752 /nfs/dbraw/zinc/48/47/52/177484752.db2.gz BPAJVQXJSNNFEJ-YYTOVBPXSA-N 1 0 221.348 2.218 40 0 BEABRO CC(C)Cc1ccc(C[NH2+]C[C@H]2CCCO2)[nH]1 ZINC000226019917 519437824 /nfs/dbraw/zinc/43/78/24/519437824.db2.gz VVMIXLJKIGWEKT-CQSZACIVSA-N 1 0 236.359 2.482 40 0 BEABRO CCC[N@H+]1CC=C(Br)CC1 ZINC000079035094 519841932 /nfs/dbraw/zinc/84/19/32/519841932.db2.gz SWFUFWOTLOTEOD-UHFFFAOYSA-N 1 0 204.111 2.381 40 0 BEABRO CCCc1ccc(C[NH2+]C[C@H]2CCCO2)n1C ZINC000226020724 521395898 /nfs/dbraw/zinc/39/58/98/521395898.db2.gz GCNKCUZRQDQKKS-CQSZACIVSA-N 1 0 236.359 2.246 40 0 BEABRO CCn1cc(Cc2ccc(C)cc2)[nH+]c1N ZINC000199550272 523397830 /nfs/dbraw/zinc/39/78/30/523397830.db2.gz LBMLUFFVFGVJSU-UHFFFAOYSA-N 1 0 215.300 2.384 40 0 BEABRO CCn1cc(Cc2cccc(F)c2)[nH+]c1N ZINC000199550167 523398447 /nfs/dbraw/zinc/39/84/47/523398447.db2.gz GQRPHTIJRUOLRS-UHFFFAOYSA-N 1 0 219.263 2.215 40 0 BEABRO C[C@@H]1O[C@H](CC[NH3+])C[C@H]1Cc1ccccc1 ZINC000252550347 525603771 /nfs/dbraw/zinc/60/37/71/525603771.db2.gz SKEWEKXQTREGSI-IACUBPJLSA-N 1 0 219.328 2.372 40 0 BEABRO Cc1ccc2cc(C)c(N(C)N)[nH+]c2c1 ZINC000199550350 526229734 /nfs/dbraw/zinc/22/97/34/526229734.db2.gz KCWRTUOVDQSRHQ-UHFFFAOYSA-N 1 0 201.273 2.162 40 0 BEABRO [NH2+]=C(Cc1ccc(F)c(C(F)(F)F)c1)NO ZINC000228915165 526816567 /nfs/dbraw/zinc/81/65/67/526816567.db2.gz MXQKEKRNBDWAJT-UHFFFAOYSA-N 1 0 236.168 2.343 40 0 BEABRO NC(=[NH2+])Cc1cccc(OC(F)(F)F)c1 ZINC000228969668 526817731 /nfs/dbraw/zinc/81/77/31/526817731.db2.gz JPPVWMHZDMLCHP-UHFFFAOYSA-N 1 0 218.178 2.064 40 0 BEABRO Cc1cc(CN2CC[C@@H]([NH3+])C2)ccc1Cl ZINC000038538882 178000132 /nfs/dbraw/zinc/00/01/32/178000132.db2.gz LGXTWZRUOMKQSM-LLVKDONJSA-N 1 0 224.735 2.181 40 0 BEABRO Cc1cc(C[NH2+]Cc2ccc(F)cc2)n(C)n1 ZINC000089182340 178026242 /nfs/dbraw/zinc/02/62/42/178026242.db2.gz YHOSINUILCMVNU-UHFFFAOYSA-N 1 0 233.290 2.157 40 0 BEABRO Cc1cc(Cl)ccc1CN1CC[C@H]([NH3+])C1 ZINC000038538930 178067125 /nfs/dbraw/zinc/06/71/25/178067125.db2.gz NOSQVLMKKZMQKX-LBPRGKRZSA-N 1 0 224.735 2.181 40 0 BEABRO Cc1cc(F)ccc1CN1CCC[C@H]([NH3+])C1 ZINC000038539814 178086342 /nfs/dbraw/zinc/08/63/42/178086342.db2.gz XIMFMHZBZINZPV-ZDUSSCGKSA-N 1 0 222.307 2.057 40 0 BEABRO Cc1cc(O[C@@H]2CCC[NH2+]C2)ccc1F ZINC000038580898 178213317 /nfs/dbraw/zinc/21/33/17/178213317.db2.gz CAOYRWVLOAHFDD-LLVKDONJSA-N 1 0 209.264 2.265 40 0 BEABRO Cc1ccccc1[C@](C)(CO)[NH+]1CCCC1 ZINC000070453405 259313917 /nfs/dbraw/zinc/31/39/17/259313917.db2.gz DHTJXKYDYAABLI-AWEZNQCLSA-N 1 0 219.328 2.298 40 0 BEABRO CCOC(=O)CC(C)(C)[NH+]1CCCCC1 ZINC000070824328 259314108 /nfs/dbraw/zinc/31/41/08/259314108.db2.gz YKOVINCNGDEVBP-UHFFFAOYSA-N 1 0 213.321 2.204 40 0 BEABRO CCOC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000070824033 259314225 /nfs/dbraw/zinc/31/42/25/259314225.db2.gz LJVHNFLIHXPAAY-LBPRGKRZSA-N 1 0 221.300 2.243 40 0 BEABRO CCOC(=O)C[C@H](C(C)C)[NH+](CC)CC ZINC000070824215 259314347 /nfs/dbraw/zinc/31/43/47/259314347.db2.gz WERXDZAZESUFLQ-LLVKDONJSA-N 1 0 215.337 2.306 40 0 BEABRO C[NH2+][C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000072207623 259315236 /nfs/dbraw/zinc/31/52/36/259315236.db2.gz MHIYDVMZQYMYAT-VHSXEESVSA-N 1 0 230.352 2.144 40 0 BEABRO CO[C@H](c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000072207900 259315240 /nfs/dbraw/zinc/31/52/40/259315240.db2.gz IMQNCYAFHAKTKT-CHWSQXEVSA-N 1 0 205.301 2.374 40 0 BEABRO CCOC(=O)C[C@@H]([NH2+]C)c1ccc(C)cc1 ZINC000072210277 259316581 /nfs/dbraw/zinc/31/65/81/259316581.db2.gz GXTNBUZNTJFFKS-GFCCVEGCSA-N 1 0 221.300 2.209 40 0 BEABRO Cc1sc(=[N+]2CCCCC2)sc1C ZINC000000164078 342678648 /nfs/dbraw/zinc/67/86/48/342678648.db2.gz JZVRLAYJANIZMK-UHFFFAOYSA-N 1 0 214.379 2.383 40 0 BEABRO CC[NH+](CC)CC(=O)Nc1c(C)ccc(N)c1C ZINC000001511761 342702191 /nfs/dbraw/zinc/70/21/91/342702191.db2.gz QGGRMQFOEGNXNU-UHFFFAOYSA-N 1 0 249.358 2.166 40 0 in-vitro BEABRO C[C@@H](C[NH+](C)C)OC(=O)Nc1ccccc1 ZINC000001640930 342706835 /nfs/dbraw/zinc/70/68/35/342706835.db2.gz HTAXCBIPSABVFQ-JTQLQIEISA-N 1 0 222.288 2.185 40 0 BEABRO [NH3+][C@@H](Cc1ccc(O)cc1)c1ccc(O)cc1 ZINC000001665754 342707444 /nfs/dbraw/zinc/70/74/44/342707444.db2.gz HXRLHIFKRUZOOC-AWEZNQCLSA-N 1 0 229.279 2.340 40 0 BEABRO Cc1[nH]c(=O)ccc1[C@@H]1CCCC[N@H+]1C ZINC000072218214 259318421 /nfs/dbraw/zinc/31/84/21/259318421.db2.gz OCWOREFOOKJVKG-NSHDSACASA-N 1 0 206.289 2.252 40 0 BEABRO Cc1cc(N)ncc1[C@@H]1CCCC[N@H+]1C ZINC000072218514 259318438 /nfs/dbraw/zinc/31/84/38/259318438.db2.gz LIDDDKNOHGGGSW-NSHDSACASA-N 1 0 205.305 2.129 40 0 BEABRO CC[NH+](CC)Cc1c(N)c2ccccc2oc1=O ZINC000003850678 342738411 /nfs/dbraw/zinc/73/84/11/342738411.db2.gz NZBSJUAJWQXGPM-UHFFFAOYSA-N 1 0 246.310 2.217 40 0 BEABRO CC[C@]1(C)NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000005422753 342763940 /nfs/dbraw/zinc/76/39/40/342763940.db2.gz MYLMXQMQEPKGGQ-GFCCVEGCSA-N 1 0 229.287 2.069 40 0 BEABRO C[NH+]1CCC(OC(=O)NC2CCCCC2)CC1 ZINC000005675015 342768248 /nfs/dbraw/zinc/76/82/48/342768248.db2.gz BCNCOVNYEFONCT-UHFFFAOYSA-N 1 0 240.347 2.140 40 0 BEABRO CCN(CC)c1ncc([C@H](C)[NH3+])cc1C ZINC000072222229 259319898 /nfs/dbraw/zinc/31/98/98/259319898.db2.gz HBZLUNJEIDPXSK-JTQLQIEISA-N 1 0 207.321 2.256 40 0 BEABRO COc1ncc([C@@H]([NH3+])c2ccccc2)cc1C ZINC000072221949 259320068 /nfs/dbraw/zinc/32/00/68/259320068.db2.gz AZSWCVRZGHFZHZ-ZDUSSCGKSA-N 1 0 228.295 2.447 40 0 BEABRO C[NH2+]Cc1cnc(NC(C)(C)C)c(C)c1 ZINC000072222939 259320900 /nfs/dbraw/zinc/32/09/00/259320900.db2.gz VNKVJAJMRSEILD-UHFFFAOYSA-N 1 0 207.321 2.320 40 0 BEABRO CNc1ccc([C@H]([NH3+])c2ccccc2)cn1 ZINC000072225114 259321934 /nfs/dbraw/zinc/32/19/34/259321934.db2.gz IZKKLRRJCJBCOU-CYBMUJFWSA-N 1 0 213.284 2.171 40 0 BEABRO Cc1cc(N2CCCCCC2)[nH+]cc1CCO ZINC000072223539 259321619 /nfs/dbraw/zinc/32/16/19/259321619.db2.gz ZXKUCVDKPYQIQH-UHFFFAOYSA-N 1 0 234.343 2.305 40 0 BEABRO Cc1nc(N2CCCCCC2)ccc1C[NH3+] ZINC000072224567 259321642 /nfs/dbraw/zinc/32/16/42/259321642.db2.gz CRLLUQPDDHHSPZ-UHFFFAOYSA-N 1 0 219.332 2.229 40 0 BEABRO CC(C)(C)n1nccc1C1CC[NH2+]CC1 ZINC000075869545 259323105 /nfs/dbraw/zinc/32/31/05/259323105.db2.gz URISIILJOZMZDN-UHFFFAOYSA-N 1 0 207.321 2.105 40 0 BEABRO CN[C@@]1(c2ccccc2OC)CCCCC1=O ZINC000097758823 342838150 /nfs/dbraw/zinc/83/81/50/342838150.db2.gz OYAUVHORXFUVAJ-CQSZACIVSA-N 1 0 233.311 2.253 40 0 in-vitro BEABRO Cc1[nH+]c(NC(C)(C)C)ccc1CCO ZINC000072225027 259322084 /nfs/dbraw/zinc/32/20/84/259322084.db2.gz WGMURZOFXXPHCC-UHFFFAOYSA-N 1 0 208.305 2.135 40 0 BEABRO C[NH2+]Cc1ccc(N2CCCCC2)nc1C ZINC000072224557 259322170 /nfs/dbraw/zinc/32/21/70/259322170.db2.gz PJRUTXLYMXKHAS-UHFFFAOYSA-N 1 0 219.332 2.100 40 0 BEABRO COc1cc(C[NH2+]C(C)C)cc(OC)c1OC ZINC000010436122 342836373 /nfs/dbraw/zinc/83/63/73/342836373.db2.gz BSFJYVAIIKJKCJ-UHFFFAOYSA-N 1 0 239.315 2.210 40 0 BEABRO CCN(CC)CC[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000019366868 342946808 /nfs/dbraw/zinc/94/68/08/342946808.db2.gz LDWNBSDGQACSSP-ZIAGYGMSSA-N 1 0 224.392 2.450 40 0 BEABRO Cn1cc(Cl)c([C@@H]2CCCCC[NH2+]2)n1 ZINC000019290016 342945292 /nfs/dbraw/zinc/94/52/92/342945292.db2.gz DIEJLNSTLRNAEK-VIFPVBQESA-N 1 0 213.712 2.278 40 0 BEABRO CC(C)C[C@H]([NH3+])c1nc2cccnc2n1C ZINC000082583468 259337516 /nfs/dbraw/zinc/33/75/16/259337516.db2.gz AWFXCSLZJSLHNV-VIFPVBQESA-N 1 0 218.304 2.014 40 0 BEABRO Cc1cc(-n2ccnc2)c2cccc(O)c2[nH+]1 ZINC000021984893 343032103 /nfs/dbraw/zinc/03/21/03/343032103.db2.gz SOJUHQVMWVAPJB-UHFFFAOYSA-N 1 0 225.251 2.435 40 0 BEABRO CC[N@H+](C)CCc1c[nH]c2cccc(O)c12 ZINC000022000558 343032751 /nfs/dbraw/zinc/03/27/51/343032751.db2.gz ORWQBKPSGDRPPA-UHFFFAOYSA-N 1 0 218.300 2.368 40 0 in-vitro BEABRO C[C@H](CN1CCCC1)[NH2+]Cc1ccccc1 ZINC000022073590 343039487 /nfs/dbraw/zinc/03/94/87/343039487.db2.gz STPNJXDWCNEGFA-CYBMUJFWSA-N 1 0 218.344 2.261 40 0 BEABRO C[NH+](C)CCOCc1ccc(Cl)cc1 ZINC000001679200 187245252 /nfs/dbraw/zinc/24/52/52/187245252.db2.gz HZEPORCNPLMOIU-UHFFFAOYSA-N 1 0 213.708 2.418 40 0 BEABRO COC(=O)[C@H](C)C[NH2+]Cc1ccc(Cl)cc1 ZINC000035133485 343286386 /nfs/dbraw/zinc/28/63/86/343286386.db2.gz ZDQVLZVASBBIBI-SECBINFHSA-N 1 0 241.718 2.239 40 0 BEABRO Nc1[nH]c2ccc(OC(F)(F)F)cc2[nH+]1 ZINC000034348584 343268305 /nfs/dbraw/zinc/26/83/05/343268305.db2.gz PKVNYLKKHHYCHH-UHFFFAOYSA-N 1 0 217.150 2.044 40 0 BEABRO CCN(Cc1ccccc1C)C(=O)[C@@H]([NH3+])C(C)C ZINC000036199750 343304375 /nfs/dbraw/zinc/30/43/75/343304375.db2.gz PZZRURLLBRXBGR-AWEZNQCLSA-N 1 0 248.370 2.327 40 0 BEABRO CCN(Cc1ccc(C)cc1)C(=O)[C@@H]([NH3+])C(C)C ZINC000079420386 343400577 /nfs/dbraw/zinc/40/05/77/343400577.db2.gz ZRSWBHXMRYYLIO-AWEZNQCLSA-N 1 0 248.370 2.327 40 0 BEABRO COC(=O)[C@H](C)C[NH2+][C@H](C)CCc1ccccc1 ZINC000044288535 343497101 /nfs/dbraw/zinc/49/71/01/343497101.db2.gz CBHOGIOVSJMKPU-CHWSQXEVSA-N 1 0 249.354 2.406 40 0 BEABRO COC(=O)[C@H](C)C[NH2+][C@@H](C)CCc1ccccc1 ZINC000044288532 343497251 /nfs/dbraw/zinc/49/72/51/343497251.db2.gz CBHOGIOVSJMKPU-OLZOCXBDSA-N 1 0 249.354 2.406 40 0 BEABRO C[N@H+](CCO)Cc1cccc(C(F)(F)F)c1 ZINC000049633513 343604813 /nfs/dbraw/zinc/60/48/13/343604813.db2.gz QSMGYVXDLXOVBO-UHFFFAOYSA-N 1 0 233.233 2.130 40 0 BEABRO Nc1cc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1F ZINC000096311740 343668418 /nfs/dbraw/zinc/66/84/18/343668418.db2.gz ZRTSAUYNWHICLY-FGWVZKOKSA-N 1 0 220.291 2.406 40 0 BEABRO CC(C)[N@@H+]1CCC[C@H](c2cncc(N(C)C)n2)C1 ZINC000072348467 187276726 /nfs/dbraw/zinc/27/67/26/187276726.db2.gz LXKPACIODVKUTE-LBPRGKRZSA-N 1 0 248.374 2.130 40 0 BEABRO COc1ccc(O[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000019268839 347001859 /nfs/dbraw/zinc/00/18/59/347001859.db2.gz GAVFUSQZJNSSIN-QWHCGFSZSA-N 1 0 221.300 2.344 40 0 BEABRO Cc1ccc([C@H](C[NH3+])N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000022166913 343916200 /nfs/dbraw/zinc/91/62/00/343916200.db2.gz JIDRSRYRCNYOIG-NFAWXSAZSA-N 1 0 248.370 2.104 40 0 BEABRO C(=C/c1ccccc1)\CC[NH2+][C@H]1CCCNC1 ZINC000079439249 187281814 /nfs/dbraw/zinc/28/18/14/187281814.db2.gz ZXOMGXZWDRHMEO-ULYATVDSSA-N 1 0 230.355 2.432 40 0 BEABRO CC(C)[C@H]([NH3+])c1nnc(-c2ccc(F)cc2)[nH]1 ZINC000095534692 187287574 /nfs/dbraw/zinc/28/75/74/187287574.db2.gz NTQMZAIAUCPJTP-JTQLQIEISA-N 1 0 234.278 2.267 40 0 BEABRO CCC[NH2+]Cc1cnc2sc(C)cn12 ZINC000256050200 344143859 /nfs/dbraw/zinc/14/38/59/344143859.db2.gz DDFFZBZGUKNQHV-UHFFFAOYSA-N 1 0 209.318 2.204 40 0 BEABRO C[NH2+]C[C@@H]1C[C@H]1c1cc(OC)cc(OC)c1 ZINC000054588821 259373872 /nfs/dbraw/zinc/37/38/72/259373872.db2.gz LQSNQLIZJGAFQO-GWCFXTLKSA-N 1 0 221.300 2.027 40 0 BEABRO Cc1nc2ccccc2nc1NCCC[NH+](C)C ZINC000055373254 259374153 /nfs/dbraw/zinc/37/41/53/259374153.db2.gz LPPZBFPRRMYISE-UHFFFAOYSA-N 1 0 244.342 2.302 40 0 BEABRO CCc1ccc(OCC[NH2+]C2CC2)cc1 ZINC000020525153 344457072 /nfs/dbraw/zinc/45/70/72/344457072.db2.gz DOJZNQILHLPNOD-UHFFFAOYSA-N 1 0 205.301 2.380 40 0 BEABRO COc1cccc([C@@H]2C[C@@H]2[C@@H](C)[NH3+])c1OC ZINC000020594438 344510064 /nfs/dbraw/zinc/51/00/64/344510064.db2.gz NRMIRCUHNDPXEF-IEBDPFPHSA-N 1 0 221.300 2.155 40 0 BEABRO CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([C@@H](C[NH3+])CO)C2 ZINC000072210463 344512517 /nfs/dbraw/zinc/51/25/17/344512517.db2.gz OCNAGPQNZVNTGV-NOHGZBONSA-N 1 0 211.349 2.016 40 0 BEABRO Cc1ccc(OC[C@H]2CC[NH2+]C2)c(F)c1 ZINC000038580864 178815217 /nfs/dbraw/zinc/81/52/17/178815217.db2.gz NCOILEAZFWRTBU-JTQLQIEISA-N 1 0 209.264 2.122 40 0 BEABRO CN1[C@@H]2CCCC[C@@H]2[N@@H+](C)[C@@H]2CCCC[C@@H]21 ZINC000585681220 345909207 /nfs/dbraw/zinc/90/92/07/345909207.db2.gz LODHMOLPIMTBHV-LVEBTZEWSA-N 1 0 222.376 2.486 40 0 BEABRO CC(C)(C)[C@@H]1C[C@]2(C)NC(=O)CCCC[C@@H]2[NH2+]1 ZINC000212420675 187318545 /nfs/dbraw/zinc/31/85/45/187318545.db2.gz NAIBUAOSIHCYJN-MJVIPROJSA-N 1 0 238.375 2.212 40 0 BEABRO Cc1cccc(C)c1NC(=O)C[NH2+]C(C)C ZINC000037385992 179041295 /nfs/dbraw/zinc/04/12/95/179041295.db2.gz OAFINNSXFADGEF-UHFFFAOYSA-N 1 0 220.316 2.240 40 0 BEABRO Cc1cccc(C[NH+]2CCC(O)CC2)c1C ZINC000038539504 179073390 /nfs/dbraw/zinc/07/33/90/179073390.db2.gz RXGGLHQHJZLKFJ-UHFFFAOYSA-N 1 0 219.328 2.260 40 0 BEABRO Cc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000000895918 346426450 /nfs/dbraw/zinc/42/64/50/346426450.db2.gz BVEROKWZMYREBD-AWEZNQCLSA-N 1 0 249.354 2.221 40 0 BEABRO CC[NH+](CC)C[C@@H](O)c1ccccc1F ZINC000002042460 346492771 /nfs/dbraw/zinc/49/27/71/346492771.db2.gz SHKYAYDSKYMSOT-GFCCVEGCSA-N 1 0 211.280 2.201 40 0 BEABRO C[n+]1ccccc1/C=C\c1cccc(O)c1 ZINC000004962000 346608906 /nfs/dbraw/zinc/60/89/06/346608906.db2.gz FAUOFTDOZBSXLA-HJWRWDBZSA-O 1 0 212.272 2.387 40 0 BEABRO Cc1cccc([C@@H](C[NH3+])N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000022214801 179185311 /nfs/dbraw/zinc/18/53/11/179185311.db2.gz CLNKIICQKRMIRN-UMVBOHGHSA-N 1 0 248.370 2.104 40 0 BEABRO Cc1cccc([C@H](C[NH3+])N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000022214795 179199049 /nfs/dbraw/zinc/19/90/49/179199049.db2.gz CLNKIICQKRMIRN-NFAWXSAZSA-N 1 0 248.370 2.104 40 0 BEABRO CCC[C@H]([NH3+])CN1CCc2ccccc2C1 ZINC000036873556 347952415 /nfs/dbraw/zinc/95/24/15/347952415.db2.gz RNWQPGKHRUODNT-AWEZNQCLSA-N 1 0 218.344 2.172 40 0 BEABRO COc1cc(OC)cc([C@H]2C[C@@H]2[C@H](C)[NH3+])c1 ZINC000036922581 347964631 /nfs/dbraw/zinc/96/46/31/347964631.db2.gz SCBRMCDRXPTYCI-ZEGGKSINSA-N 1 0 221.300 2.155 40 0 BEABRO Cc1ccc(C[N@@H+]2CCC[C@@H](O)C2)cc1C ZINC000038539645 348703376 /nfs/dbraw/zinc/70/33/76/348703376.db2.gz QOJZFWVYXIRUNL-CQSZACIVSA-N 1 0 219.328 2.260 40 0 BEABRO CC(C)C[NH2+]Cc1cnc(NC(C)C)nc1 ZINC000062717618 259407463 /nfs/dbraw/zinc/40/74/63/259407463.db2.gz KVVWNEDEAPPRRI-UHFFFAOYSA-N 1 0 222.336 2.043 40 0 BEABRO Nc1ccc(Oc2cc[nH+]c(N)c2)c(F)c1 ZINC000059822713 349256833 /nfs/dbraw/zinc/25/68/33/349256833.db2.gz AWAOTKYAHSYQNA-UHFFFAOYSA-N 1 0 219.219 2.177 40 0 BEABRO Cc1cccc([C@@H](C[NH3+])N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000219809051 350142107 /nfs/dbraw/zinc/14/21/07/350142107.db2.gz CLNKIICQKRMIRN-KCQAQPDRSA-N 1 0 248.370 2.104 40 0 BEABRO Cc1nccn1CCC[NH2+]C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC000195537159 180244231 /nfs/dbraw/zinc/24/42/31/180244231.db2.gz BKLYYGDFUQLEKM-ZNMIVQPWSA-N 1 0 245.370 2.383 40 0 BEABRO CC[NH+](CC)C[C@@H]1Cc2ccccc2N1 ZINC000039018584 350328415 /nfs/dbraw/zinc/32/84/15/350328415.db2.gz UDJRUPMXBYPCAW-LBPRGKRZSA-N 1 0 204.317 2.365 40 0 BEABRO C[C@H]1O[C@H](CC[NH3+])C[C@@H]1Cc1ccccc1 ZINC000225750437 350372178 /nfs/dbraw/zinc/37/21/78/350372178.db2.gz SKEWEKXQTREGSI-KWCYVHTRSA-N 1 0 219.328 2.372 40 0 BEABRO Clc1ccc(CNC[C@@H]2CCC[NH2+]2)cc1 ZINC000072202927 180580151 /nfs/dbraw/zinc/58/01/51/180580151.db2.gz XYNRULYVFXCODS-LBPRGKRZSA-N 1 0 224.735 2.182 40 0 BEABRO Cn1c(C[NH2+]C2CC2)ccc1Cc1ccco1 ZINC000226021429 180618007 /nfs/dbraw/zinc/61/80/07/180618007.db2.gz JRZRSMWIYHNUCX-UHFFFAOYSA-N 1 0 230.311 2.461 40 0 BEABRO Cc1cc(C)cc(OCC[NH2+]C2CC2)c1 ZINC000020361134 363146798 /nfs/dbraw/zinc/14/67/98/363146798.db2.gz HFXFKHMVPURORK-UHFFFAOYSA-N 1 0 205.301 2.434 40 0 BEABRO O=C(C[NH2+]C1CC1)Nc1cccc(Cl)c1 ZINC000019386384 363145780 /nfs/dbraw/zinc/14/57/80/363145780.db2.gz HQCUXZAWXJMAAS-UHFFFAOYSA-N 1 0 224.691 2.031 40 0 BEABRO C[C@@H]1C[C@@]1(C[NH3+])[C@H](O)c1ccc(Cl)cc1 ZINC000096527180 352369365 /nfs/dbraw/zinc/36/93/65/352369365.db2.gz FMRUFLXRUIWCBX-FXAINCCUSA-N 1 0 225.719 2.358 40 0 BEABRO Cc1cccc(-c2nnc([C@H]3CCC[NH2+]3)o2)c1 ZINC000032015757 352740802 /nfs/dbraw/zinc/74/08/02/352740802.db2.gz UYNPQWYIFMRJHH-LLVKDONJSA-N 1 0 229.283 2.470 40 0 BEABRO Cc1c[nH]nc1[C@@H]1CC[N@@H+](Cc2cccn2C)C1 ZINC000257319721 188020166 /nfs/dbraw/zinc/02/01/66/188020166.db2.gz VTUMQGKUWMGYLH-GFCCVEGCSA-N 1 0 244.342 2.046 40 0 BEABRO FC(F)(F)Oc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000036965115 180887394 /nfs/dbraw/zinc/88/73/94/180887394.db2.gz JMNHBVHPPNOGJS-JTQLQIEISA-N 1 0 247.216 2.246 40 0 BEABRO CC(C)[N@@H+]1CCC[C@@H](c2csc(N)n2)C1 ZINC000072367739 188306611 /nfs/dbraw/zinc/30/66/11/188306611.db2.gz JGUBKXRVTUYDRL-SECBINFHSA-N 1 0 225.361 2.313 40 0 BEABRO CC(C)=CCC[C@H](C)C[NH+]1CCNCC1 ZINC000096024389 188321601 /nfs/dbraw/zinc/32/16/01/188321601.db2.gz JASACXKTGGBKTB-ZDUSSCGKSA-N 1 0 210.365 2.274 40 0 BEABRO C/C(=C\c1ccccc1)C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367784375 188357205 /nfs/dbraw/zinc/35/72/05/188357205.db2.gz VGPRVUFZTAVCSP-MAARGPNZSA-N 1 0 243.350 2.260 40 0 BEABRO Fc1ccccc1-c1nc(C2CC[NH2+]CC2)no1 ZINC000041298914 181009499 /nfs/dbraw/zinc/00/94/99/181009499.db2.gz NZQOLQGSVXUGIC-UHFFFAOYSA-N 1 0 247.273 2.343 40 0 BEABRO Fc1ccccc1-c1noc(C2CC[NH2+]CC2)n1 ZINC000020268745 181010773 /nfs/dbraw/zinc/01/07/73/181010773.db2.gz ALLYOASOILGROI-UHFFFAOYSA-N 1 0 247.273 2.343 40 0 BEABRO CCC[NH2+]Cc1cn(Cc2ccccc2)cn1 ZINC000233080072 355363537 /nfs/dbraw/zinc/36/35/37/355363537.db2.gz YOQITHZGCAYYSG-UHFFFAOYSA-N 1 0 229.327 2.431 40 0 BEABRO NC(=[NH2+])Cc1ccc(Cl)cc1Cl ZINC000001439088 181187652 /nfs/dbraw/zinc/18/76/52/181187652.db2.gz HUKFRPZKURKTQB-UHFFFAOYSA-N 1 0 203.072 2.472 40 0 BEABRO NC(=[NH2+])SCC(=O)c1ccc(Cl)cc1 ZINC000068584051 181191681 /nfs/dbraw/zinc/19/16/81/181191681.db2.gz QGNWXRJVRBMDJP-UHFFFAOYSA-N 1 0 228.704 2.149 40 0 BEABRO NC(=[NH2+])Sc1cc(O)c2ccccc2c1O ZINC000001666638 181192389 /nfs/dbraw/zinc/19/23/89/181192389.db2.gz RUZSZXBZUQMTFW-UHFFFAOYSA-N 1 0 234.280 2.237 40 0 BEABRO NC(=O)[C@@H](CC[NH+]1CCCCC1)c1ccccc1 ZINC000001700029 181263717 /nfs/dbraw/zinc/26/37/17/181263717.db2.gz HASMTRUBBJZEGO-AWEZNQCLSA-N 1 0 246.354 2.132 40 0 BEABRO [NH3+]C[C@@H](F)c1ccc(Br)cc1 ZINC000211948136 356320039 /nfs/dbraw/zinc/32/00/39/356320039.db2.gz BANSITREVGYIDM-MRVPVSSYSA-N 1 0 218.069 2.418 40 0 BEABRO Clc1cc(Cl)cc(CN2CC[NH2+]CC2)c1 ZINC000033630952 357330153 /nfs/dbraw/zinc/33/01/53/357330153.db2.gz CRJIMSPOLFYOPJ-UHFFFAOYSA-N 1 0 245.153 2.399 40 0 BEABRO CN(C)[C@@H](CC[NH3+])c1ccccc1Cl ZINC000041226725 358737675 /nfs/dbraw/zinc/73/76/75/358737675.db2.gz RZVAUDVGENAUMG-NSHDSACASA-N 1 0 212.724 2.292 40 0 BEABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(N)nc1 ZINC000072212363 259525620 /nfs/dbraw/zinc/52/56/20/259525620.db2.gz VHEOZDFBESXITP-LLVKDONJSA-N 1 0 205.305 2.211 40 0 BEABRO [NH3+]C1(c2ncccc2C(F)(F)F)CC1 ZINC000091691823 181335456 /nfs/dbraw/zinc/33/54/56/181335456.db2.gz LGYYGGWLIRRCRY-UHFFFAOYSA-N 1 0 202.179 2.048 40 0 BEABRO [NH3+]C1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000036754312 181345074 /nfs/dbraw/zinc/34/50/74/181345074.db2.gz WLMUBAJRXMQQNI-UHFFFAOYSA-N 1 0 242.725 2.402 40 0 BEABRO C[N@@H+]1CCC[C@@H]1c1cccnc1N1CCCC1 ZINC000072215967 259528256 /nfs/dbraw/zinc/52/82/56/259528256.db2.gz GCXSQOZSCNDDKG-CYBMUJFWSA-N 1 0 231.343 2.449 40 0 BEABRO [NH3+]CC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000083324612 181348525 /nfs/dbraw/zinc/34/85/25/181348525.db2.gz HJGOBKZHHSNNLM-UHFFFAOYSA-N 1 0 218.083 2.064 40 0 BEABRO [NH3+]CC1(COCc2ccccc2)CCC1 ZINC000085390402 181359869 /nfs/dbraw/zinc/35/98/69/181359869.db2.gz IRPIOZSLRADEDT-UHFFFAOYSA-N 1 0 205.301 2.332 40 0 BEABRO Cc1cc([C@@H](C)[NH3+])cnc1N1CCCCC1 ZINC000072222463 259531878 /nfs/dbraw/zinc/53/18/78/259531878.db2.gz GVBYJKSIGGUDSV-LLVKDONJSA-N 1 0 219.332 2.400 40 0 BEABRO CC[C@@H]([NH3+])c1ccc(N2CCCCC2)nc1 ZINC000072225456 259532850 /nfs/dbraw/zinc/53/28/50/259532850.db2.gz MGFJYVJXWZPMDV-GFCCVEGCSA-N 1 0 219.332 2.482 40 0 BEABRO [NH3+]CCCNc1nccc2ccc(F)cc21 ZINC000082765958 181383248 /nfs/dbraw/zinc/38/32/48/181383248.db2.gz PYYLSGAXXYALHY-UHFFFAOYSA-N 1 0 219.263 2.135 40 0 BEABRO [NH3+]CCN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000032553284 181391641 /nfs/dbraw/zinc/39/16/41/181391641.db2.gz YVAKHIJWMQLKHA-GFCCVEGCSA-N 1 0 224.735 2.436 40 0 BEABRO [NH3+]CCCn1ncc2ccc(Cl)cc21 ZINC000062711063 181389759 /nfs/dbraw/zinc/38/97/59/181389759.db2.gz IHVXDOMZZMRTFX-UHFFFAOYSA-N 1 0 209.680 2.039 40 0 BEABRO [NH3+]CCN[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816274 181396614 /nfs/dbraw/zinc/39/66/14/181396614.db2.gz UUIZJDJMUFRKJB-ZDUSSCGKSA-N 1 0 229.327 2.094 40 0 BEABRO [NH3+]CCNc1ccnc2ccc(Cl)cc21 ZINC000222678755 181398243 /nfs/dbraw/zinc/39/82/43/181398243.db2.gz XNUNBNVOCRASEW-UHFFFAOYSA-N 1 0 221.691 2.259 40 0 BEABRO [NH3+]CCc1cc2cccc(Br)c2[nH]1 ZINC000020269471 181411534 /nfs/dbraw/zinc/41/15/34/181411534.db2.gz KEJSCYIKASMWRV-UHFFFAOYSA-N 1 0 239.116 2.432 40 0 BEABRO C[C@@H]([NH3+])c1ccc(OCC(F)(F)F)nc1 ZINC000116931064 370854430 /nfs/dbraw/zinc/85/44/30/370854430.db2.gz DBVQWDRJFZMDDL-ZCFIWIBFSA-N 1 0 220.194 2.042 40 0 BEABRO CC1(C)[C@@H]2CC[C@@]1(C)[C@@H]([C@@H](C[NH3+])CO)C2 ZINC000108364005 369391743 /nfs/dbraw/zinc/39/17/43/369391743.db2.gz OCNAGPQNZVNTGV-WGBDABJCSA-N 1 0 211.349 2.016 40 0 BEABRO Fc1cc(F)cc(N2CC[NH2+][C@H]3CCC[C@@H]32)c1 ZINC000225717641 259541540 /nfs/dbraw/zinc/54/15/40/259541540.db2.gz FOHMKEYMQWAYOY-STQMWFEESA-N 1 0 238.281 2.296 40 0 BEABRO [NH3+][C@@H](c1ccccc1F)C1CCOCC1 ZINC000068957846 181566195 /nfs/dbraw/zinc/56/61/95/181566195.db2.gz DGANXADFCBHYRG-GFCCVEGCSA-N 1 0 209.264 2.252 40 0 BEABRO [NH3+][C@@H]1CCN(Cc2ccc(F)cc2Cl)C1 ZINC000050242678 181588797 /nfs/dbraw/zinc/58/87/97/181588797.db2.gz YEWHSMVPJRZRQB-SNVBAGLBSA-N 1 0 228.698 2.012 40 0 BEABRO [NH3+][C@H]1CCC[C@H]1Nc1c(F)cccc1F ZINC000218883026 181648471 /nfs/dbraw/zinc/64/84/71/181648471.db2.gz NAFSIPKLEYJQMA-VHSXEESVSA-N 1 0 212.243 2.257 40 0 BEABRO CCSc1cc(OC)c(CC[NH3+])cc1OC ZINC000002513912 371567096 /nfs/dbraw/zinc/56/70/96/371567096.db2.gz HCWQGDLBIKOJPM-UHFFFAOYSA-N 1 0 241.356 2.317 40 0 in-vitro BEABRO C[C@H]1C[C@H]2[C@@H](C[C@@H](C(F)(F)F)C[C@@H]2C[NH3+])O1 ZINC000225761851 371573980 /nfs/dbraw/zinc/57/39/80/371573980.db2.gz FWJZILYJODZJNY-SQXHDICFSA-N 1 0 237.265 2.327 40 0 BEABRO C[C@H]1CO[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C[NH3+])[C@@H]12 ZINC000225761617 371574019 /nfs/dbraw/zinc/57/40/19/371574019.db2.gz ULMGXBABGMHAEG-RXKWGBCNSA-N 1 0 237.265 2.185 40 0 BEABRO O=C1C[C@@H](C2CC[NH2+]CC2)Oc2ccccc21 ZINC000057467226 182773811 /nfs/dbraw/zinc/77/38/11/182773811.db2.gz JBCIAPJWJRAGQG-AWEZNQCLSA-N 1 0 231.295 2.020 40 0 BEABRO OC[C@H](Cc1ccccc1)[NH+]1CCCCC1 ZINC000003636775 183138353 /nfs/dbraw/zinc/13/83/53/183138353.db2.gz MKPWVSUPSWNGNB-AWEZNQCLSA-N 1 0 219.328 2.076 40 0 BEABRO CCCCn1cc(-c2nc(C[NH3+])cs2)cn1 ZINC000095093934 169034580 /nfs/dbraw/zinc/03/45/80/169034580.db2.gz ICCAGRGYZPQELW-UHFFFAOYSA-N 1 0 236.344 2.265 40 0 BEABRO O[C@@H](C[n+]1ccccc1)c1c[nH]c2ccccc12 ZINC000001870646 183183121 /nfs/dbraw/zinc/18/31/21/183183121.db2.gz GBIXMBKNGGDDHG-HNNXBMFYSA-N 1 0 239.298 2.189 40 0 BEABRO O[C@@H]1CC[N@H+](CC2CC2)[C@H]1Cc1ccccc1 ZINC000096061565 183199192 /nfs/dbraw/zinc/19/91/92/183199192.db2.gz QPATUZKXEXXOKR-LSDHHAIUSA-N 1 0 231.339 2.074 40 0 BEABRO O[C@H]1CC[C@H]([NH2+]Cc2cccc(F)c2)CC1 ZINC000100173868 183202007 /nfs/dbraw/zinc/20/20/07/183202007.db2.gz WOEAZJLRZKUAOL-BETUJISGSA-N 1 0 223.291 2.219 40 0 BEABRO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1ccccn1)CC2 ZINC000019401586 183218426 /nfs/dbraw/zinc/21/84/26/183218426.db2.gz RPRHYUWMVLXVKX-UKRRQHHQSA-N 1 0 246.354 2.209 40 0 BEABRO O[C@H](c1ccc2ccccc2n1)[C@H]1CCCC[NH2+]1 ZINC000001730921 183229684 /nfs/dbraw/zinc/22/96/84/183229684.db2.gz LSNMFZBXDRDBIG-HIFRSBDPSA-N 1 0 242.322 2.410 40 0 BEABRO O[C@H]1[C@@H]2CCC[C@H]1[C@@H]([NH+]1CCCCC1)CC2 ZINC000005816931 183214004 /nfs/dbraw/zinc/21/40/04/183214004.db2.gz JFIGMNBDLSGWHQ-RFGFWPKPSA-N 1 0 223.360 2.412 40 0 BEABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(=O)[nH]c1 ZINC000068590743 169191363 /nfs/dbraw/zinc/19/13/63/169191363.db2.gz DHHLBVKLGLWDMJ-LBPRGKRZSA-N 1 0 220.316 2.312 40 0 BEABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(=O)[nH]c1 ZINC000068590739 169192082 /nfs/dbraw/zinc/19/20/82/169192082.db2.gz DHHLBVKLGLWDMJ-GFCCVEGCSA-N 1 0 220.316 2.312 40 0 BEABRO CCCN(Cc1ccco1)C[C@@H]1CCC[NH2+]1 ZINC000096523690 169179546 /nfs/dbraw/zinc/17/95/46/169179546.db2.gz GWHRKSFZGOBTTK-LBPRGKRZSA-N 1 0 222.332 2.244 40 0 BEABRO c1cc(C[NH2+]Cc2ccncc2)cs1 ZINC000007365320 183351668 /nfs/dbraw/zinc/35/16/68/183351668.db2.gz UTQXMQCFRKIAQF-UHFFFAOYSA-N 1 0 204.298 2.433 40 0 BEABRO c1cc([C@H]2CCCC[NH2+]2)n(C2CCOCC2)n1 ZINC000096509766 183362613 /nfs/dbraw/zinc/36/26/13/183362613.db2.gz LZNYQUBLQSZDNI-GFCCVEGCSA-N 1 0 235.331 2.049 40 0 BEABRO c1cc([C@H]2CC[N@@H+](CCc3ccccc3)C2)n[nH]1 ZINC000072381575 183393043 /nfs/dbraw/zinc/39/30/43/183393043.db2.gz ZCWBNXPAYIFICZ-AWEZNQCLSA-N 1 0 241.338 2.442 40 0 BEABRO CCC[NH2+]Cc1nc2cc(OC)ccc2[nH]1 ZINC000022122088 169269811 /nfs/dbraw/zinc/26/98/11/169269811.db2.gz RKJJCYNCLRRQSN-UHFFFAOYSA-N 1 0 219.288 2.071 40 0 BEABRO c1ccc(CN2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000082346505 183399365 /nfs/dbraw/zinc/39/93/65/183399365.db2.gz OOKMXRYWLZPJSM-OAHLLOKOSA-N 1 0 230.355 2.405 40 0 BEABRO c1ccc(Nc2cncc([C@H]3CCC[NH2+]3)n2)nc1 ZINC000257281152 183419843 /nfs/dbraw/zinc/41/98/43/183419843.db2.gz ONWDVYKWRPVFAU-SNVBAGLBSA-N 1 0 241.298 2.040 40 0 BEABRO C[NH2+][C@@]1(CN2CCCC2)CCc2ccccc2C1 ZINC000022029095 383906918 /nfs/dbraw/zinc/90/69/18/383906918.db2.gz UBDASNATHZNUNT-INIZCTEOSA-N 1 0 244.382 2.229 40 0 BEABRO C[NH+](C)CC[C@H](O)c1ccc(Cl)cc1 ZINC000001733102 383931804 /nfs/dbraw/zinc/93/18/04/383931804.db2.gz GXYMVYGPHADUNW-NSHDSACASA-N 1 0 213.708 2.325 40 0 BEABRO CC(C)(C)OC(=O)N1CCc2cc(C[NH3+])ccc21 ZINC000089209533 383945929 /nfs/dbraw/zinc/94/59/29/383945929.db2.gz GTEVTJRBLUFOKF-UHFFFAOYSA-N 1 0 248.326 2.443 40 0 BEABRO C[C@H]([NH3+])COCc1ccccc1OC(F)F ZINC000089262708 383954776 /nfs/dbraw/zinc/95/47/76/383954776.db2.gz DZKLATWERPXHSH-QMMMGPOBSA-N 1 0 231.242 2.152 40 0 BEABRO CC[C@@H]([NH3+])COCc1c(F)cccc1F ZINC000089262678 383954988 /nfs/dbraw/zinc/95/49/88/383954988.db2.gz HIKLYJACZCGZAZ-MRVPVSSYSA-N 1 0 215.243 2.219 40 0 BEABRO C[C@H]([NH3+])COCc1ccccc1Br ZINC000089262679 383955203 /nfs/dbraw/zinc/95/52/03/383955203.db2.gz XIEXXUIVIYMMGM-QMMMGPOBSA-N 1 0 244.132 2.313 40 0 BEABRO CCOP(=O)(OCC)[C@]1(C)CCC[N+]1=O ZINC000005859961 384135619 /nfs/dbraw/zinc/13/56/19/384135619.db2.gz OKCDBZSDRSXFIB-SECBINFHSA-N 1 0 235.220 2.344 40 0 in-vitro BEABRO CC[C@@H]([NH3+])[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072208644 384125202 /nfs/dbraw/zinc/12/52/02/384125202.db2.gz VXVKOWIGVDIUNF-NXEZZACHSA-N 1 0 228.336 2.123 40 0 BEABRO C[N@@H+]1CCC[C@@H](Cc2nccnc2Cl)CC1 ZINC000072343825 384208298 /nfs/dbraw/zinc/20/82/98/384208298.db2.gz VYLMKMITNSQVIS-SNVBAGLBSA-N 1 0 239.750 2.404 40 0 BEABRO C[C@H](CC(=O)N1CC[NH2+][C@@H](C)C1)CC(C)(C)C ZINC000071978898 384190887 /nfs/dbraw/zinc/19/08/87/384190887.db2.gz MAIZCWMVHAYQEK-NEPJUHHUSA-N 1 0 240.391 2.269 40 0 BEABRO Cc1c[nH]nc1[C@@H]1CCCN1Cc1ccncc1 ZINC000072357067 384210672 /nfs/dbraw/zinc/21/06/72/384210672.db2.gz SRMWGQMRZATEQL-ZDUSSCGKSA-N 1 0 242.326 2.450 40 0 BEABRO C[N@@H+]1CCC[C@@H](Cc2ccc(Cl)nn2)C1 ZINC000072363350 384214953 /nfs/dbraw/zinc/21/49/53/384214953.db2.gz LPIPZUYOUQPPNJ-VIFPVBQESA-N 1 0 225.723 2.014 40 0 BEABRO CCC[C@@]12CCC(=O)N1[C@@H]1CCCC[C@@H]1[NH2+]2 ZINC000009937017 384264865 /nfs/dbraw/zinc/26/48/65/384264865.db2.gz HFBNSQOMCGXKBX-LOWVWBTDSA-N 1 0 222.332 2.020 40 0 BEABRO [NH3+]CCc1cc(C(F)(F)F)ccc1F ZINC000044248584 384321605 /nfs/dbraw/zinc/32/16/05/384321605.db2.gz OWVJINCYEZPRBD-UHFFFAOYSA-N 1 0 207.170 2.346 40 0 BEABRO [NH3+]Cc1c(F)c(F)cc(Br)c1F ZINC000075915313 384347671 /nfs/dbraw/zinc/34/76/71/384347671.db2.gz XBEFZNFVHQJAIK-UHFFFAOYSA-N 1 0 240.022 2.325 40 0 BEABRO C[C@H]1CN(c2cccc3ccoc32)CC[NH2+]1 ZINC000095092941 384363334 /nfs/dbraw/zinc/36/33/34/384363334.db2.gz RSZBUIKPGYWRPJ-JTQLQIEISA-N 1 0 216.284 2.231 40 0 BEABRO c1nc2c(c(C3CC3)n1)CC[N@H+](CC1CC1)CC2 ZINC000096255120 384447141 /nfs/dbraw/zinc/44/71/41/384447141.db2.gz BRDURVFCGHBCPH-UHFFFAOYSA-N 1 0 243.354 2.165 40 0 BEABRO C[C@@](CO)(c1cccs1)[NH+]1CCCCC1 ZINC000070453237 384562578 /nfs/dbraw/zinc/56/25/78/384562578.db2.gz DIIKMBMVOGZIKZ-GFCCVEGCSA-N 1 0 225.357 2.442 40 0 BEABRO Cc1ccc(C[NH3+])cc1I ZINC000098096522 384592767 /nfs/dbraw/zinc/59/27/67/384592767.db2.gz CYAHWTIHSCPOGT-UHFFFAOYSA-N 1 0 247.079 2.058 40 0 BEABRO CC[C@H]1CCCC[N@@H+]1Cc1cc(N)nn1CC ZINC000408716928 384703944 /nfs/dbraw/zinc/70/39/44/384703944.db2.gz SSQJNHYVMSQKFX-NSHDSACASA-N 1 0 236.363 2.080 40 0 BEABRO Fc1ccc(CNC2CC[NH2+]CC2)cc1Cl ZINC000053149724 384767592 /nfs/dbraw/zinc/76/75/92/384767592.db2.gz SSQRQWCJQQTVGN-UHFFFAOYSA-N 1 0 242.725 2.321 40 0 BEABRO C[C@H](O)c1ccc(N2CCCCC2)nc1 ZINC000072225447 384827195 /nfs/dbraw/zinc/82/71/95/384827195.db2.gz BLEGDRHGAITHNZ-JTQLQIEISA-N 1 0 206.289 2.125 40 0 BEABRO FCCOc1ccccc1C[NH2+]C1CC1 ZINC000087774245 384845209 /nfs/dbraw/zinc/84/52/09/384845209.db2.gz KYSFKGNXWFONMU-UHFFFAOYSA-N 1 0 209.264 2.287 40 0 BEABRO Cc1ccc(OC[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000038580863 384868804 /nfs/dbraw/zinc/86/88/04/384868804.db2.gz NCOILEAZFWRTBU-SNVBAGLBSA-N 1 0 209.264 2.122 40 0 BEABRO CCc1ccc(C[NH2+]CCC[NH+](C)C)cc1 ZINC000057322207 384937979 /nfs/dbraw/zinc/93/79/79/384937979.db2.gz LNSUYARIFJKYCF-UHFFFAOYSA-N 1 0 220.360 2.290 40 0 BEABRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072208704 385060590 /nfs/dbraw/zinc/06/05/90/385060590.db2.gz UHURVYQOXPFTNJ-NXEZZACHSA-N 1 0 228.336 2.123 40 0 BEABRO CC[C@H]([NH3+])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072208674 385061995 /nfs/dbraw/zinc/06/19/95/385061995.db2.gz PMAWBAFHGHQTEJ-NSHDSACASA-N 1 0 242.363 2.371 40 0 BEABRO CC[N@@H+]1CCC[C@H]1c1ccc(NC)nc1 ZINC000072212468 385074100 /nfs/dbraw/zinc/07/41/00/385074100.db2.gz SPGOTUDTFXBETB-NSHDSACASA-N 1 0 205.305 2.280 40 0 BEABRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N)nc1 ZINC000072212376 385075174 /nfs/dbraw/zinc/07/51/74/385075174.db2.gz JXUSSEFDMWGBEN-LLVKDONJSA-N 1 0 205.305 2.211 40 0 BEABRO CCNc1ccc([C@H]2CCCC[NH2+]2)cn1 ZINC000072213087 385080448 /nfs/dbraw/zinc/08/04/48/385080448.db2.gz VAGVLEWILYNFPD-LLVKDONJSA-N 1 0 205.305 2.328 40 0 BEABRO O=CN1CCCC[C@@H]1c1cccnc1NC1CC1 ZINC000072213751 385082744 /nfs/dbraw/zinc/08/27/44/385082744.db2.gz GNQIKGCWHRMVSD-CYBMUJFWSA-N 1 0 245.326 2.339 40 0 BEABRO O=CN1CCC[C@@H]1c1cccnc1NC1CCC1 ZINC000072213886 385083541 /nfs/dbraw/zinc/08/35/41/385083541.db2.gz LRTULODMBKDUSZ-CYBMUJFWSA-N 1 0 245.326 2.339 40 0 BEABRO C=Cc1cnc(N2CC[NH+](CC)CC2)cc1C ZINC000072223639 385116476 /nfs/dbraw/zinc/11/64/76/385116476.db2.gz JXYJTHMOEAJEOI-UHFFFAOYSA-N 1 0 231.343 2.175 40 0 BEABRO CC[C@H]([NH3+])c1ccc(NC2CC2)nc1C ZINC000072224860 385123246 /nfs/dbraw/zinc/12/32/46/385123246.db2.gz WUWOASITMQYKMT-NSHDSACASA-N 1 0 205.305 2.374 40 0 BEABRO COc1ccc([C@@H]2CCC[N@@H+]2C)c(C)n1 ZINC000072218061 385086714 /nfs/dbraw/zinc/08/67/14/385086714.db2.gz NIGJOFKDRUVRBO-NSHDSACASA-N 1 0 206.289 2.165 40 0 BEABRO Cc1cc(=S)[nH]cc1[C@H]1CCCC[NH2+]1 ZINC000072218333 385100045 /nfs/dbraw/zinc/10/00/45/385100045.db2.gz SSHOVWDIQCNZTL-SNVBAGLBSA-N 1 0 208.330 2.493 40 0 BEABRO Cc1cc(N(C)C)ncc1C1=[NH+]CCCC1 ZINC000072218691 385103479 /nfs/dbraw/zinc/10/34/79/385103479.db2.gz VNUOXAQWYMUPEM-UHFFFAOYSA-N 1 0 217.316 2.429 40 0 BEABRO Cc1cc(N2CCCC2)ncc1[C@@H]1CCC[NH2+]1 ZINC000072218842 385103487 /nfs/dbraw/zinc/10/34/87/385103487.db2.gz ULHCFVWKBACDOC-ZDUSSCGKSA-N 1 0 231.343 2.415 40 0 BEABRO CNc1cc(C)c(C2=[NH+]CCCC2)cn1 ZINC000072219051 385103651 /nfs/dbraw/zinc/10/36/51/385103651.db2.gz NCHCYCRAGVWEMC-UHFFFAOYSA-N 1 0 203.289 2.405 40 0 BEABRO CCOc1ccc(CCN2CCC[C@@H]([NH3+])C2)cc1 ZINC000057956538 385148427 /nfs/dbraw/zinc/14/84/27/385148427.db2.gz KCHCSZLLVFRWAA-CQSZACIVSA-N 1 0 248.370 2.051 40 0 BEABRO CCOc1cccc([C@H](C)[NH2+]CCOC)c1 ZINC000152117845 385154212 /nfs/dbraw/zinc/15/42/12/385154212.db2.gz CXFPHOLETWYXAA-NSHDSACASA-N 1 0 223.316 2.382 40 0 BEABRO Cc1ccc(C)c(NC(=O)C[NH+]2CCCC2)c1 ZINC000007786174 385223460 /nfs/dbraw/zinc/22/34/60/385223460.db2.gz PIBZKTUXZSEKMO-UHFFFAOYSA-N 1 0 232.327 2.338 40 0 BEABRO c1ccc([C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000306125780 385236645 /nfs/dbraw/zinc/23/66/45/385236645.db2.gz DBXZIYYRNBVLBF-UONOGXRCSA-N 1 0 217.312 2.313 40 0 BEABRO CCCC[N@@H+]1CCCC[C@H]1C(=O)OCC ZINC000033609413 385254415 /nfs/dbraw/zinc/25/44/15/385254415.db2.gz OAAXEKNPTNLHID-NSHDSACASA-N 1 0 213.321 2.204 40 0 BEABRO [NH3+][C@@H]1CCN(Cc2cc(Cl)ccc2F)C1 ZINC000096523492 385268488 /nfs/dbraw/zinc/26/84/88/385268488.db2.gz CMLICXZTWSTRQQ-SNVBAGLBSA-N 1 0 228.698 2.012 40 0 BEABRO Cc1cc(C(F)(F)F)nc([C@@]2(C)CCC[NH2+]2)n1 ZINC000072354373 385271079 /nfs/dbraw/zinc/27/10/79/385271079.db2.gz WNBQWDMFUUQWOL-SNVBAGLBSA-N 1 0 245.248 2.402 40 0 BEABRO Cc1ccc(C)c(-c2ccnn2CC[NH3+])c1 ZINC000096527675 385271558 /nfs/dbraw/zinc/27/15/58/385271558.db2.gz NQMGOOJWFSQHRV-UHFFFAOYSA-N 1 0 215.300 2.126 40 0 BEABRO C[C@H]([NH3+])CN(Cc1ccco1)C1CCCC1 ZINC000096523888 385272922 /nfs/dbraw/zinc/27/29/22/385272922.db2.gz XJPCBTIADHGJKE-NSHDSACASA-N 1 0 222.332 2.371 40 0 BEABRO [NH3+]Cc1nc(-c2ccccc2)n2ccccc12 ZINC000020222754 385298038 /nfs/dbraw/zinc/29/80/38/385298038.db2.gz ZMIUZUQCZMISGD-UHFFFAOYSA-N 1 0 223.279 2.460 40 0 BEABRO Cc1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000005341694 385679112 /nfs/dbraw/zinc/67/91/12/385679112.db2.gz YBBARMHTNXAKPL-CQSZACIVSA-N 1 0 249.354 2.221 40 0 BEABRO Cc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000005341714 385679201 /nfs/dbraw/zinc/67/92/01/385679201.db2.gz YBBARMHTNXAKPL-AWEZNQCLSA-N 1 0 249.354 2.221 40 0 BEABRO COc1ccc([C@H](C[NH3+])OC(C)C)c(OC)c1 ZINC000062711769 385688817 /nfs/dbraw/zinc/68/88/17/385688817.db2.gz LFDFIYQOEZJMJH-ZDUSSCGKSA-N 1 0 239.315 2.129 40 0 BEABRO [NH3+]C[C@@H](CO)Cc1ccc(Cl)cc1Cl ZINC000062711352 385689611 /nfs/dbraw/zinc/68/96/11/385689611.db2.gz RMAMWSSMTRIQPG-ZETCQYMHSA-N 1 0 234.126 2.103 40 0 BEABRO FC(F)CNc1cccc([C@H]2CCC[NH2+]2)n1 ZINC000257219706 385753820 /nfs/dbraw/zinc/75/38/20/385753820.db2.gz DHUNWELOWJFSRB-MRVPVSSYSA-N 1 0 227.258 2.183 40 0 BEABRO CNc1cncc([C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000257242018 385755503 /nfs/dbraw/zinc/75/55/03/385755503.db2.gz IARWSECSANASDI-LLVKDONJSA-N 1 0 234.347 2.106 40 0 BEABRO Cc1c[nH]nc1[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC000257258678 385757232 /nfs/dbraw/zinc/75/72/32/385757232.db2.gz KVBQUYVWQREMIB-GFCCVEGCSA-N 1 0 219.332 2.308 40 0 BEABRO Cc1noc(C)c1-c1nccc([C@@H]2CCC[NH2+]2)n1 ZINC000257278079 385757321 /nfs/dbraw/zinc/75/73/21/385757321.db2.gz OARRWAPLUQQXPL-JTQLQIEISA-N 1 0 244.298 2.173 40 0 BEABRO c1ccc(Nc2cncc([C@@H]3CCC[NH2+]3)n2)nc1 ZINC000257281151 385762346 /nfs/dbraw/zinc/76/23/46/385762346.db2.gz ONWDVYKWRPVFAU-JTQLQIEISA-N 1 0 241.298 2.040 40 0 BEABRO CC(=O)c1cccc(NC2=[NH+]CCC2)c1 ZINC000003866609 385720254 /nfs/dbraw/zinc/72/02/54/385720254.db2.gz ZNUJCALCEJXRSW-UHFFFAOYSA-N 1 0 202.257 2.493 40 0 BEABRO C[C@@H](F)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000261506719 385816086 /nfs/dbraw/zinc/81/60/86/385816086.db2.gz AILCJMUBAAZTJT-DGCLKSJQSA-N 1 0 223.291 2.245 40 0 BEABRO C[C@H](F)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000261506718 385816191 /nfs/dbraw/zinc/81/61/91/385816191.db2.gz AILCJMUBAAZTJT-AAEUAGOBSA-N 1 0 223.291 2.245 40 0 BEABRO CN(CC[NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000096319872 385912007 /nfs/dbraw/zinc/91/20/07/385912007.db2.gz JVFDHGBEJGGCOD-UHFFFAOYSA-N 1 0 233.142 2.384 40 0 BEABRO C[C@H]([NH2+]CCN)C12CC3CC(CC(C3)C1)C2 ZINC000037712443 386099079 /nfs/dbraw/zinc/09/90/79/386099079.db2.gz LOHUAMCHNGBEBX-MWKHJINRSA-N 1 0 222.376 2.140 40 0 BEABRO CC[NH+]1CCN(c2cc(C)c(N)c(C)c2)CC1 ZINC000223774477 386100404 /nfs/dbraw/zinc/10/04/04/386100404.db2.gz NRQFUMRESPDOBP-UHFFFAOYSA-N 1 0 233.359 2.028 40 0 BEABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CC1 ZINC000225384402 386188849 /nfs/dbraw/zinc/18/88/49/386188849.db2.gz HIRKOULGQKHKOO-ZDUSSCGKSA-N 1 0 238.375 2.167 40 0 BEABRO c1ccc2[nH]c(CC[NH+]3CCCC3)nc2c1 ZINC000031559658 386232022 /nfs/dbraw/zinc/23/20/22/386232022.db2.gz MYGTZWXBSAHKNF-UHFFFAOYSA-N 1 0 215.300 2.201 40 0 BEABRO C[C@H](NC[C@@H]([NH3+])c1ccccc1)c1nccs1 ZINC000080310463 386238680 /nfs/dbraw/zinc/23/86/80/386238680.db2.gz XRLVYKCVJQZARP-CMPLNLGQSA-N 1 0 247.367 2.494 40 0 BEABRO [NH3+][C@@H]1CCCC[C@H]1NCc1ccc(F)cc1 ZINC000218856859 386301878 /nfs/dbraw/zinc/30/18/78/386301878.db2.gz LRGCLQBNHQXGJI-CHWSQXEVSA-N 1 0 222.307 2.185 40 0 BEABRO Fc1ccc(N2CC[NH2+][C@@H]3CCC[C@H]32)c(F)c1 ZINC000218848387 386262104 /nfs/dbraw/zinc/26/21/04/386262104.db2.gz DDGNWRZUMOVSQJ-DGCLKSJQSA-N 1 0 238.281 2.296 40 0 BEABRO Cc1ccc(N2CC[NH2+][C@H]3CCC[C@H]32)c(F)c1 ZINC000218848854 386262601 /nfs/dbraw/zinc/26/26/01/386262601.db2.gz WCLVXNUMFSIOLP-GXTWGEPZSA-N 1 0 234.318 2.465 40 0 BEABRO [NH3+]C[C@@H]1CC[C@@H](c2cc(F)cc(F)c2)O1 ZINC000218700559 386419948 /nfs/dbraw/zinc/41/99/48/386419948.db2.gz JCVNEPFOJPAIAS-QWRGUYRKSA-N 1 0 213.227 2.144 40 0 BEABRO CCOc1ccccc1N[C@H]1CCC[C@@H]1[NH3+] ZINC000218878802 386428345 /nfs/dbraw/zinc/42/83/45/386428345.db2.gz BQLSHFWMMQZGTA-QWRGUYRKSA-N 1 0 220.316 2.377 40 0 BEABRO COC(=O)c1ccc(C[NH+]2CCC(C)CC2)o1 ZINC000058875020 386471474 /nfs/dbraw/zinc/47/14/74/386471474.db2.gz MBYWQCSUMOIKEY-UHFFFAOYSA-N 1 0 237.299 2.298 40 0 BEABRO [NH3+][C@H]1CCC[C@H]1Nc1ccc(F)cc1F ZINC000218884008 386511206 /nfs/dbraw/zinc/51/12/06/386511206.db2.gz KSZVCASZTHSWLG-GXSJLCMTSA-N 1 0 212.243 2.257 40 0 BEABRO [NH3+]C[C@@H](c1ccc2c(c1)CCO2)N1CCCCC1 ZINC000037363693 386453743 /nfs/dbraw/zinc/45/37/43/386453743.db2.gz LFXDJTRBOMYOPT-AWEZNQCLSA-N 1 0 246.354 2.107 40 0 BEABRO C[NH2+][C@H]1CCCN(Cc2ccc(C)cc2)C1 ZINC000053201460 387533757 /nfs/dbraw/zinc/53/37/57/387533757.db2.gz HQLQBBYPEOLREE-AWEZNQCLSA-N 1 0 218.344 2.179 40 0 BEABRO CCc1ccc([C@H](CO)[NH+]2CCCC2)cc1 ZINC000041232820 387796234 /nfs/dbraw/zinc/79/62/34/387796234.db2.gz RNLYAXLYDFTOIE-AWEZNQCLSA-N 1 0 219.328 2.378 40 0 BEABRO [NH3+]CCn1nc(C(F)F)c(Cl)c1C(F)F ZINC000012357726 387849910 /nfs/dbraw/zinc/84/99/10/387849910.db2.gz OEDNSCWKLABRAX-UHFFFAOYSA-N 1 0 245.607 2.370 40 0 BEABRO C[NH+]1CCC(COc2ccc(F)cc2N)CC1 ZINC000067800765 387855098 /nfs/dbraw/zinc/85/50/98/387855098.db2.gz GWIBBCORHHLHEA-UHFFFAOYSA-N 1 0 238.306 2.129 40 0 BEABRO CCCC[NH2+]Cc1ccn(CC(F)F)n1 ZINC000256050972 387858466 /nfs/dbraw/zinc/85/84/66/387858466.db2.gz HFVPZAWYCCKAQO-UHFFFAOYSA-N 1 0 217.263 2.038 40 0 BEABRO CC[C@H](C)n1nccc1C[NH2+]C[C@@H]1CCCO1 ZINC000256051099 387858876 /nfs/dbraw/zinc/85/88/76/387858876.db2.gz HSCYJSXBRXJCHC-AAEUAGOBSA-N 1 0 237.347 2.123 40 0 BEABRO CCCC[NH2+]Cc1ccn(C(F)F)n1 ZINC000256051888 387860280 /nfs/dbraw/zinc/86/02/80/387860280.db2.gz KXONCTPSLWUYAU-UHFFFAOYSA-N 1 0 203.236 2.168 40 0 BEABRO Cc1cnn(C)c1C[NH2+]Cc1ccc(F)cc1 ZINC000256052376 387860359 /nfs/dbraw/zinc/86/03/59/387860359.db2.gz NBOQNABISOUCQY-UHFFFAOYSA-N 1 0 233.290 2.157 40 0 BEABRO FCCn1nccc1C[NH2+]CCc1ccccc1 ZINC000256053781 387862511 /nfs/dbraw/zinc/86/25/11/387862511.db2.gz SVFHUMIHKWCCFT-UHFFFAOYSA-N 1 0 247.317 2.185 40 0 BEABRO Cc1c(F)cccc1CN1CCC[C@@H]([NH3+])C1 ZINC000038539530 388372997 /nfs/dbraw/zinc/37/29/97/388372997.db2.gz HSNOHCLBEGBHIA-GFCCVEGCSA-N 1 0 222.307 2.057 40 0 BEABRO CN1C[C@@H](c2cccc3ccccc32)[C@H]([NH3+])C1 ZINC000217661716 388379043 /nfs/dbraw/zinc/37/90/43/388379043.db2.gz ZFXMGGNUDJFQJW-LSDHHAIUSA-N 1 0 226.323 2.196 40 0 BEABRO c1cn(-c2ccc(OC3CC[NH2+]CC3)cc2)cn1 ZINC000002527209 388593313 /nfs/dbraw/zinc/59/33/13/388593313.db2.gz JAXHYYQLGVOIKL-UHFFFAOYSA-N 1 0 243.310 2.003 40 0 BEABRO Cc1cccc(-c2n[nH]c(C3CC[NH2+]CC3)n2)c1 ZINC000064875523 388672194 /nfs/dbraw/zinc/67/21/94/388672194.db2.gz VJEMOFLWHGLWEX-UHFFFAOYSA-N 1 0 242.326 2.247 40 0 BEABRO CCO[C@@H](C[NH3+])c1c(F)cccc1F ZINC000062711923 388655430 /nfs/dbraw/zinc/65/54/30/388655430.db2.gz CDWMFUZPBOWILT-VIFPVBQESA-N 1 0 201.216 2.001 40 0 BEABRO CNc1ncc(C[NH2+][C@H](C)c2ccccc2)cn1 ZINC000062717434 388655955 /nfs/dbraw/zinc/65/59/55/388655955.db2.gz HKOSUBSHGFVTOQ-LLVKDONJSA-N 1 0 242.326 2.369 40 0 BEABRO [NH3+][C@@H]1CCCn2cc(-c3ccc(F)cc3)nc21 ZINC000076028296 388663055 /nfs/dbraw/zinc/66/30/55/388663055.db2.gz HBXAMQFTAKPACU-LLVKDONJSA-N 1 0 231.274 2.483 40 0 BEABRO CC(C)n1cnc2c1CCC[C@H]2CC[NH3+] ZINC000076088503 388663425 /nfs/dbraw/zinc/66/34/25/388663425.db2.gz OFJFAGAKTXJUFG-JTQLQIEISA-N 1 0 207.321 2.233 40 0 BEABRO Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CC[N@@H+](C)C2 ZINC000225487919 388718771 /nfs/dbraw/zinc/71/87/71/388718771.db2.gz CFBZHJZGTINRGK-LBPRGKRZSA-N 1 0 246.310 2.156 40 0 biogenic,in-vitro BEABRO CC[NH2+]CCO[C@@H]1CC[C@]12CCC21CC1 ZINC000242437347 388722315 /nfs/dbraw/zinc/72/23/15/388722315.db2.gz BZVWUBCXQPNHJR-YPMHNXCESA-N 1 0 209.333 2.335 40 0 BEABRO C[C@H]([NH3+])c1nc(-c2ccccc2Cl)n[nH]1 ZINC000082510281 388727135 /nfs/dbraw/zinc/72/71/35/388727135.db2.gz XECPOLZEYCMZPJ-LURJTMIESA-N 1 0 222.679 2.145 40 0 BEABRO [NH3+]C[C@@H](c1c(F)cccc1F)N1CCCC1 ZINC000022220248 388827557 /nfs/dbraw/zinc/82/75/57/388827557.db2.gz XOVXXQWEUKCKQA-NSHDSACASA-N 1 0 226.270 2.060 40 0 BEABRO CN1C[C@@H]([NH3+])[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000225606694 388839436 /nfs/dbraw/zinc/83/94/36/388839436.db2.gz UIWXGHGHPNUHNF-LDYMZIIASA-N 1 0 245.153 2.350 40 0 BEABRO CCOc1ccccc1N1CC[NH2+][C@@H]2CCC[C@@H]21 ZINC000225716951 388840606 /nfs/dbraw/zinc/84/06/06/388840606.db2.gz ILMRDPMGWTWVDY-OLZOCXBDSA-N 1 0 246.354 2.416 40 0 BEABRO Fc1cccc(F)c1N1CC[NH2+][C@@H]2CCC[C@@H]21 ZINC000225717539 388840752 /nfs/dbraw/zinc/84/07/52/388840752.db2.gz JQRHECGNOBAGTD-NEPJUHHUSA-N 1 0 238.281 2.296 40 0 BEABRO Cc1c(F)cccc1N1CC[NH2+][C@H]2CCC[C@@H]21 ZINC000225717485 388841197 /nfs/dbraw/zinc/84/11/97/388841197.db2.gz QINLAUWQAQYXRC-JSGCOSHPSA-N 1 0 234.318 2.465 40 0 BEABRO Cc1cccc(N2CC[NH2+][C@@H]3CCC[C@@H]32)c1 ZINC000225716362 388873443 /nfs/dbraw/zinc/87/34/43/388873443.db2.gz IRQBARHHMZTBRJ-KGLIPLIRSA-N 1 0 216.328 2.326 40 0 BEABRO Cc1ccccc1N1CC[NH2+][C@H]2CCC[C@@H]21 ZINC000225716332 388870835 /nfs/dbraw/zinc/87/08/35/388870835.db2.gz IOMBDNVJKDTDRM-JSGCOSHPSA-N 1 0 216.328 2.326 40 0 BEABRO Cc1ccc(N2CC[NH2+][C@@H]3CCC[C@H]32)cc1 ZINC000218843921 132290948 /nfs/dbraw/zinc/29/09/48/132290948.db2.gz JFPBLLFPDFWWMS-ZIAGYGMSSA-N 1 0 216.328 2.326 40 0 BEABRO C[C@H]1CN(c2ccc(N)cc2Cl)C[C@H](C)[NH2+]1 ZINC000008701192 132318947 /nfs/dbraw/zinc/31/89/47/132318947.db2.gz XMCZSVZCOOYCDS-IUCAKERBSA-N 1 0 239.750 2.109 40 0 BEABRO O=C(Nc1ccc(F)cc1)[C@H]1CCCCC[NH2+]1 ZINC000080993367 135384682 /nfs/dbraw/zinc/38/46/82/135384682.db2.gz UMZJJSKWQDMDCV-GFCCVEGCSA-N 1 0 236.290 2.296 40 0 BEABRO CC(C)(C)OC(=O)N1CCC[C@](C)([NH3+])CC1 ZINC000076675766 410061769 /nfs/dbraw/zinc/06/17/69/410061769.db2.gz PSAWVQOJMPWLAJ-LBPRGKRZSA-N 1 0 228.336 2.125 40 0 BEABRO Brc1ccc(OCC2C[NH2+]C2)cc1 ZINC000038580831 166097793 /nfs/dbraw/zinc/09/77/93/166097793.db2.gz SIXVZVAAECLMNI-UHFFFAOYSA-N 1 0 242.116 2.047 40 0 BEABRO Brc1ccc([C@]23C[C@H]2C[NH2+]C3)cc1 ZINC000027549648 166099987 /nfs/dbraw/zinc/09/99/87/166099987.db2.gz KHJRUTSPEDPIBP-GXSJLCMTSA-N 1 0 238.128 2.310 40 0 BEABRO CC(C)(C)[NH2+]C[C@H]1CO[C@H](c2ccccc2)O1 ZINC000003010051 166634053 /nfs/dbraw/zinc/63/40/53/166634053.db2.gz IWFPJSASCSZFCH-STQMWFEESA-N 1 0 235.327 2.489 40 0 BEABRO CC(C)C[NH2+]Cc1ccnn1CC(F)(F)F ZINC000256051109 167010333 /nfs/dbraw/zinc/01/03/33/167010333.db2.gz HTHPELHMLSDMDY-UHFFFAOYSA-N 1 0 235.253 2.191 40 0 BEABRO CC(C)C[NH2+]Cc1ccn(C(F)F)n1 ZINC000256050944 167010794 /nfs/dbraw/zinc/01/07/94/167010794.db2.gz HDOKJZBHPLTGIJ-UHFFFAOYSA-N 1 0 203.236 2.024 40 0 BEABRO CC(C)Nc1n[nH]c2nc([C@@H]3CCC[NH2+]3)ccc12 ZINC000019695601 167148813 /nfs/dbraw/zinc/14/88/13/167148813.db2.gz PQHUWISIZFANOX-JTQLQIEISA-N 1 0 245.330 2.203 40 0 BEABRO CC[NH+](CC)CCOCCn1c(C)ccc1C ZINC000001581196 169782514 /nfs/dbraw/zinc/78/25/14/169782514.db2.gz NBEJIEWYTIJTGQ-UHFFFAOYSA-N 1 0 238.375 2.463 40 0 BEABRO CC(C)O[C@@H](C[NH3+])c1ccc(F)cc1F ZINC000062711798 167281023 /nfs/dbraw/zinc/28/10/23/167281023.db2.gz DPPBLWCKVUVYJP-NSHDSACASA-N 1 0 215.243 2.390 40 0 BEABRO Cc1cc(F)ccc1N1CC[NH2+][C@H]2CCC[C@H]21 ZINC000218847234 411177701 /nfs/dbraw/zinc/17/77/01/411177701.db2.gz PDPKXEVVDGTIIZ-GXTWGEPZSA-N 1 0 234.318 2.465 40 0 BEABRO CC1CC(C[NH3+])([C@H](O)c2ccccc2F)C1 ZINC000085395998 168138717 /nfs/dbraw/zinc/13/87/17/168138717.db2.gz BSDGLZYPHWFEPA-BKDHPRRPSA-N 1 0 223.291 2.234 40 0 BEABRO CC1CC[NH+](C[C@H](N)c2ccccc2)CC1 ZINC000019821176 168182885 /nfs/dbraw/zinc/18/28/85/168182885.db2.gz VOGOMHDDDFSBNE-AWEZNQCLSA-N 1 0 218.344 2.418 40 0 BEABRO CCC(=O)C[C@H]1CCC[C@@H](CC(=O)CC)[NH2+]1 ZINC000001713139 168210216 /nfs/dbraw/zinc/21/02/16/168210216.db2.gz ICQDSEWZOQKQSL-PHIMTYICSA-N 1 0 225.332 2.236 40 0 BEABRO CCC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000052399627 168233852 /nfs/dbraw/zinc/23/38/52/168233852.db2.gz MQGZHBDTJKJONS-UHFFFAOYSA-N 1 0 246.354 2.309 40 0 BEABRO CCN1CC[C@]12CC[N@H+](CCc1ccccc1)C2 ZINC000096075908 170023401 /nfs/dbraw/zinc/02/34/01/170023401.db2.gz ZQOAVMWMIOCHFC-INIZCTEOSA-N 1 0 244.382 2.399 40 0 BEABRO CC[NH2+][C@@H](C)C(=O)c1ccccc1CC ZINC000095215384 170139016 /nfs/dbraw/zinc/13/90/16/170139016.db2.gz YHAYVXPZBPEILT-JTQLQIEISA-N 1 0 205.301 2.430 40 0 in-vitro BEABRO CC[NH2+][C@H](C)C(=O)c1cccc(CC)c1 ZINC000095215365 170156816 /nfs/dbraw/zinc/15/68/16/170156816.db2.gz ZGWFZYCOHXHOHU-SNVBAGLBSA-N 1 0 205.301 2.430 40 0 in-vitro BEABRO CCOC(=O)CC[N@H+](C)Cc1ccccc1 ZINC000034477637 170205033 /nfs/dbraw/zinc/20/50/33/170205033.db2.gz XMCDHJNMZJAIRF-UHFFFAOYSA-N 1 0 221.300 2.072 40 0 BEABRO CCOC(=O)CC[N@@H+]1CCCC[C@H]1CC ZINC000037022149 170206301 /nfs/dbraw/zinc/20/63/01/170206301.db2.gz SJHABLQGMCNJEF-LLVKDONJSA-N 1 0 213.321 2.204 40 0 BEABRO CCOC(=O)CC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000036671336 170207322 /nfs/dbraw/zinc/20/73/22/170207322.db2.gz AHWZPSGTCFEGAT-QWRGUYRKSA-N 1 0 213.321 2.203 40 0 BEABRO CCOC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000036667559 170210079 /nfs/dbraw/zinc/21/00/79/170210079.db2.gz XKHGOPJHZZPKGU-WDEREUQCSA-N 1 0 213.321 2.108 40 0 BEABRO CCOC(=O)[C@@H](CC[NH+](C)C)c1ccccc1 ZINC000002046339 170250715 /nfs/dbraw/zinc/25/07/15/170250715.db2.gz FHHDBEYDICPUQH-ZDUSSCGKSA-N 1 0 235.327 2.285 40 0 BEABRO CCOC(=O)[C@@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC000082299881 170259162 /nfs/dbraw/zinc/25/91/62/170259162.db2.gz VRIDQIGLSYHFCH-OLZOCXBDSA-N 1 0 233.311 2.290 40 0 BEABRO CCOC(=O)[C@@]12CCCC[C@H]1[NH2+]CC=CC2 ZINC000019530255 170286858 /nfs/dbraw/zinc/28/68/58/170286858.db2.gz UYJXSESXJSHLID-DGCLKSJQSA-N 1 0 223.316 2.028 40 0 BEABRO CC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000084369187 171214876 /nfs/dbraw/zinc/21/48/76/171214876.db2.gz KYCYYTIPNGMWBT-CYBMUJFWSA-N 1 0 205.301 2.033 40 0 BEABRO CCc1csc(-c2cc[nH+]c(NN)c2)n1 ZINC000089263538 171929645 /nfs/dbraw/zinc/92/96/45/171929645.db2.gz DXMKQGIADKITFZ-UHFFFAOYSA-N 1 0 220.301 2.053 40 0 BEABRO CCn1c(N)[nH+]cc1-c1ccc(F)cc1 ZINC000022130281 172131201 /nfs/dbraw/zinc/13/12/01/172131201.db2.gz SYVOZWRJVMKXLT-UHFFFAOYSA-N 1 0 205.236 2.291 40 0 BEABRO CCn1c2cc(Cl)ccc2nc1C[NH3+] ZINC000053994590 172144964 /nfs/dbraw/zinc/14/49/64/172144964.db2.gz QKUSRORYAZHCLI-UHFFFAOYSA-N 1 0 209.680 2.168 40 0 BEABRO CN(C[C@@H]1CCC[NH2+]1)C(=O)OCc1ccccc1 ZINC000079437734 172810436 /nfs/dbraw/zinc/81/04/36/172810436.db2.gz BOXRBTATHOAKGB-ZDUSSCGKSA-N 1 0 248.326 2.007 40 0 BEABRO C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000001727269 173000867 /nfs/dbraw/zinc/00/08/67/173000867.db2.gz QHVQCPPNGSPPHJ-ZDUSSCGKSA-N 1 0 205.301 2.062 40 0 BEABRO C[N@@H+]1CCC[C@H](Cc2cncc(Cl)n2)C1 ZINC000072363345 173040668 /nfs/dbraw/zinc/04/06/68/173040668.db2.gz ROHMWWWYKSJYLU-SECBINFHSA-N 1 0 225.723 2.014 40 0 BEABRO CN1CC[C@@H]([NH3+])c2cc(Cl)ccc2C1 ZINC000096509721 173120550 /nfs/dbraw/zinc/12/05/50/173120550.db2.gz XIFVNCLCMYZZAH-LLVKDONJSA-N 1 0 210.708 2.175 40 0 BEABRO CN1C[C@@H](c2ccc(Cl)c(Cl)c2)[C@H]([NH3+])C1 ZINC000217661372 173182522 /nfs/dbraw/zinc/18/25/22/173182522.db2.gz UIWXGHGHPNUHNF-GZMMTYOYSA-N 1 0 245.153 2.350 40 0 BEABRO C[NH2+]CCCOc1cccc(Br)c1 ZINC000019094039 173349894 /nfs/dbraw/zinc/34/98/94/173349894.db2.gz XEVLKSFAZBWKAV-UHFFFAOYSA-N 1 0 244.132 2.437 40 0 BEABRO C[NH2+]CCCc1ccc(OC(F)F)cc1 ZINC000062720283 173350780 /nfs/dbraw/zinc/35/07/80/173350780.db2.gz XLEAKTXKWGFTHY-UHFFFAOYSA-N 1 0 215.243 2.440 40 0 BEABRO C[NH2+]C[C@H](OC(C)C)c1ccc(OC)cc1 ZINC000050483394 173377405 /nfs/dbraw/zinc/37/74/05/173377405.db2.gz USZXBURDLLGQGR-ZDUSSCGKSA-N 1 0 223.316 2.381 40 0 BEABRO C[NH2+]Cc1cc(-c2cccc(F)c2)no1 ZINC000035655519 173386209 /nfs/dbraw/zinc/38/62/09/173386209.db2.gz VPXXMMNCEUTROL-UHFFFAOYSA-N 1 0 206.220 2.200 40 0 BEABRO C[NH2+]Cc1cc(C)n(C[C@H]2CCCO2)c1C ZINC000078582733 173386415 /nfs/dbraw/zinc/38/64/15/173386415.db2.gz YCFZRPCQSQAJEJ-CYBMUJFWSA-N 1 0 222.332 2.003 40 0 BEABRO C[NH2+]Cc1cccn1Cc1ccccc1 ZINC000082784119 173390057 /nfs/dbraw/zinc/39/00/57/173390057.db2.gz WANKPQABGQHPAU-UHFFFAOYSA-N 1 0 200.285 2.256 40 0 BEABRO C[NH2+]Cc1cccn1-c1ccccc1F ZINC000222347087 173390423 /nfs/dbraw/zinc/39/04/23/173390423.db2.gz WTCMKCKICUCYIR-UHFFFAOYSA-N 1 0 204.248 2.336 40 0 BEABRO COCCC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000015424208 174248673 /nfs/dbraw/zinc/24/86/73/174248673.db2.gz HHTFNKMKVNLIGN-UHFFFAOYSA-N 1 0 218.300 2.294 40 0 BEABRO COCC[NH+]1CCC(Cc2ccnc(C)c2)CC1 ZINC000257222442 174305539 /nfs/dbraw/zinc/30/55/39/174305539.db2.gz DTIBYVDKUDQFPS-UHFFFAOYSA-N 1 0 248.370 2.291 40 0 BEABRO COCC[NH+]1CCC(c2cccc(C)n2)CC1 ZINC000072381553 174305633 /nfs/dbraw/zinc/30/56/33/174305633.db2.gz JHOBOHTZDJLWKX-UHFFFAOYSA-N 1 0 234.343 2.216 40 0 BEABRO COCC[NH2+]Cc1cc(C)n(C(C)C)c1C ZINC000223675384 174334571 /nfs/dbraw/zinc/33/45/71/174334571.db2.gz BEGHLUAXAAMMGY-UHFFFAOYSA-N 1 0 224.348 2.422 40 0 BEABRO COc1c(C)cc(Br)cc1C[NH3+] ZINC000098211545 174919920 /nfs/dbraw/zinc/91/99/20/174919920.db2.gz VRIJPQBIWSVLNH-UHFFFAOYSA-N 1 0 230.105 2.225 40 0 BEABRO COc1cc(F)ccc1[C@@H]1CCC[NH2+]C1 ZINC000082949178 174995220 /nfs/dbraw/zinc/99/52/20/174995220.db2.gz OUKPVYBISCCDOI-SECBINFHSA-N 1 0 209.264 2.301 40 0 BEABRO COc1cc2c(cc1OC)CC(C)(C)[NH2+]C2 ZINC000002479992 175024984 /nfs/dbraw/zinc/02/49/84/175024984.db2.gz XGBVPTOSVHBVGS-UHFFFAOYSA-N 1 0 221.300 2.128 40 0 BEABRO COc1cc2c(cc1OC)[C@H]([NH3+])CCC2 ZINC000005369750 175025549 /nfs/dbraw/zinc/02/55/49/175025549.db2.gz DYZOFLWNJVIOHA-SNVBAGLBSA-N 1 0 207.273 2.040 40 0 BEABRO COc1ccc(C2([NH3+])CCC2)cc1OC ZINC000011883646 175084846 /nfs/dbraw/zinc/08/48/46/175084846.db2.gz ZHWFCLITMZZRGG-UHFFFAOYSA-N 1 0 207.273 2.042 40 0 BEABRO COc1ccc(CN2CCCC[C@H]2C[NH3+])c(C)c1 ZINC000096523577 175098771 /nfs/dbraw/zinc/09/87/71/175098771.db2.gz QOYGDBZEXQXREY-AWEZNQCLSA-N 1 0 248.370 2.317 40 0 BEABRO COc1ccc(C[NH2+]Cc2cc(C)nn2C)cc1 ZINC000089182172 175108015 /nfs/dbraw/zinc/10/80/15/175108015.db2.gz IRIJJCYMEQLDBA-UHFFFAOYSA-N 1 0 245.326 2.027 40 0 BEABRO COc1ccc(CN[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000218855401 175112389 /nfs/dbraw/zinc/11/23/89/175112389.db2.gz KQAPSBRQIROFNT-KGLIPLIRSA-N 1 0 234.343 2.055 40 0 BEABRO COc1ccc(CSC(N)=[NH2+])cc1Cl ZINC000004321538 175114387 /nfs/dbraw/zinc/11/43/87/175114387.db2.gz PYJIMLUCKQWMEQ-UHFFFAOYSA-N 1 0 230.720 2.475 40 0 BEABRO COc1ccc(N[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000218682719 175155523 /nfs/dbraw/zinc/15/55/23/175155523.db2.gz DHUWBPYQXYJHQL-OLZOCXBDSA-N 1 0 220.316 2.377 40 0 BEABRO COc1ccc(OCC2CC[NH+](C)CC2)cc1 ZINC000072367683 175171798 /nfs/dbraw/zinc/17/17/98/175171798.db2.gz JVCROIHPRAVFMF-UHFFFAOYSA-N 1 0 235.327 2.416 40 0 BEABRO COc1ccc([C@H]2CCC[NH2+]C2)cc1C ZINC000038539219 175194558 /nfs/dbraw/zinc/19/45/58/175194558.db2.gz SQSVGMGTIAOIPK-LBPRGKRZSA-N 1 0 205.301 2.471 40 0 BEABRO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3C ZINC000019498277 175201717 /nfs/dbraw/zinc/20/17/17/175201717.db2.gz RDUORFDQRFHYBF-MRVPVSSYSA-N 1 0 216.284 2.383 40 0 in-vivo BEABRO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3C ZINC000019498278 175201776 /nfs/dbraw/zinc/20/17/76/175201776.db2.gz RDUORFDQRFHYBF-QMMMGPOBSA-N 1 0 216.284 2.383 40 0 biogenic,in-vivo BEABRO COc1ccc2cc(CC[NH3+])ccc2c1 ZINC000019392069 175224504 /nfs/dbraw/zinc/22/45/04/175224504.db2.gz ZVFDBOOWCDSJEX-UHFFFAOYSA-N 1 0 201.269 2.350 40 0 BEABRO COc1ccc2[nH+]c(C)c(C)c(N)c2c1 ZINC000050870839 175227288 /nfs/dbraw/zinc/22/72/88/175227288.db2.gz CDQZHJOQJZHWMP-UHFFFAOYSA-N 1 0 202.257 2.442 40 0 BEABRO COc1ccc2nc(Cl)c(C[NH3+])cc2c1 ZINC000089262004 175228545 /nfs/dbraw/zinc/22/85/45/175228545.db2.gz YKCOULMTNSEYBM-UHFFFAOYSA-N 1 0 222.675 2.356 40 0 BEABRO COc1cccc(C2(O)CC[NH+](C(C)C)CC2)c1 ZINC000037717041 175248833 /nfs/dbraw/zinc/24/88/33/175248833.db2.gz NLLRIQMUJAJNKA-UHFFFAOYSA-N 1 0 249.354 2.387 40 0 BEABRO COc1cccc(CCNc2cc[nH+]cc2N)c1 ZINC000001718089 175252433 /nfs/dbraw/zinc/25/24/33/175252433.db2.gz KYWMQIRZKXVYOY-UHFFFAOYSA-N 1 0 243.310 2.327 40 0 BEABRO COc1cccc2c(C)cc(CC[NH3+])nc12 ZINC000082777664 175299060 /nfs/dbraw/zinc/29/90/60/175299060.db2.gz IOGOMJXRWHOWDA-UHFFFAOYSA-N 1 0 216.284 2.053 40 0 BEABRO COc1ccccc1-c1n[nH]c([C@H]([NH3+])C(C)C)n1 ZINC000095534763 175310974 /nfs/dbraw/zinc/31/09/74/175310974.db2.gz KMQBTGFOKOAMAJ-LLVKDONJSA-N 1 0 246.314 2.136 40 0 BEABRO COc1ccccc1[C@H]1C[NH2+]CCN1CC1CC1 ZINC000257224377 175355486 /nfs/dbraw/zinc/35/54/86/175355486.db2.gz FBOOTGMUNYRVRI-CQSZACIVSA-N 1 0 246.354 2.052 40 0 BEABRO C[C@@H]1C[N@H+](C)CC[C@]12Cc1ccccc1O2 ZINC000309405183 176270342 /nfs/dbraw/zinc/27/03/42/176270342.db2.gz VKECLJQIARTGLQ-RISCZKNCSA-N 1 0 217.312 2.332 40 0 BEABRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccccc1F ZINC000019575158 176324615 /nfs/dbraw/zinc/32/46/15/176324615.db2.gz NZRKNMWYVXNMMZ-OCCSQVGLSA-N 1 0 248.345 2.494 40 0 BEABRO C[C@H](c1ccccn1)N(C)[C@@H]1CCCC[NH2+]1 ZINC000098181595 177043390 /nfs/dbraw/zinc/04/33/90/177043390.db2.gz DILMUIWNBOBMBE-DGCLKSJQSA-N 1 0 219.332 2.174 40 0 BEABRO C[C@H]1CC(C)(C)[NH2+][C@H]([C@@H]2CCC=CO2)O1 ZINC000004803876 177064168 /nfs/dbraw/zinc/06/41/68/177064168.db2.gz WEKSFFIEUWLTHJ-DCAQKATOSA-N 1 0 211.305 2.182 40 0 BEABRO C[C@H]1C[N@H+](C)CC[C@@]12Cc1ccccc1O2 ZINC000016698331 177234347 /nfs/dbraw/zinc/23/43/47/177234347.db2.gz VKECLJQIARTGLQ-SMDDNHRTSA-N 1 0 217.312 2.332 40 0 BEABRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccsc1 ZINC000072324466 177280400 /nfs/dbraw/zinc/28/04/00/177280400.db2.gz OENMGDLWRDXQIX-AAEUAGOBSA-N 1 0 236.384 2.417 40 0 BEABRO C[C@H]1C[NH2+]CCN1Cc1ccccc1Cl ZINC000041245324 177284640 /nfs/dbraw/zinc/28/46/40/177284640.db2.gz WJEFKEHMPJWMOV-JTQLQIEISA-N 1 0 224.735 2.134 40 0 BEABRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)OCc1ccccc1 ZINC000073657054 177364238 /nfs/dbraw/zinc/36/42/38/177364238.db2.gz VVCFYFUPEUQVNY-WCQYABFASA-N 1 0 248.326 2.135 40 0 BEABRO C[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C1=CCC[N@@H+]1CCO ZINC000004706115 177419302 /nfs/dbraw/zinc/41/93/02/177419302.db2.gz ZKIQIBMWSCOAME-NRWUCQMLSA-N 1 0 221.344 2.251 40 0 BEABRO C[C@]1(c2cccc(Cl)c2)C[NH2+]CCO1 ZINC000096526555 177479719 /nfs/dbraw/zinc/47/97/19/177479719.db2.gz YBSAVMKBIMEBCE-LLVKDONJSA-N 1 0 211.692 2.175 40 0 BEABRO CCn1nncc1C[NH2+]C1CCC2(CC2)CC1 ZINC000418030852 487674471 /nfs/dbraw/zinc/67/44/71/487674471.db2.gz KDCILJNLVPBGQG-UHFFFAOYSA-N 1 0 234.347 2.110 40 0 BEABRO CCN(CC)CC[NH2+]Cc1cccc(OC)c1 ZINC000019919146 520686981 /nfs/dbraw/zinc/68/69/81/520686981.db2.gz NUDIHLZKQUGACI-UHFFFAOYSA-N 1 0 236.359 2.127 40 0 BEABRO CC(C)(C)OC(=O)N[C@]12CC[C@H](CCC1)[C@H]2[NH3+] ZINC000238856117 518839595 /nfs/dbraw/zinc/83/95/95/518839595.db2.gz UVLGMZFCEXVMIG-CWSCBRNRSA-N 1 0 240.347 2.171 40 0 BEABRO CC(C)COc1nn(C)c2cc(C[NH3+])ccc12 ZINC000225772746 519766637 /nfs/dbraw/zinc/76/66/37/519766637.db2.gz LXAYUZDNPAKACB-UHFFFAOYSA-N 1 0 233.315 2.067 40 0 BEABRO CC[NH+](CC)CCNCc1ccccc1F ZINC000019919631 520686800 /nfs/dbraw/zinc/68/68/00/520686800.db2.gz ZZXMTFNRSLOLST-UHFFFAOYSA-N 1 0 224.323 2.257 40 0 BEABRO CCn1cc(Cc2ccccc2C)[nH+]c1N ZINC000199550091 523398360 /nfs/dbraw/zinc/39/83/60/523398360.db2.gz DFFYNJZULZRCPT-UHFFFAOYSA-N 1 0 215.300 2.384 40 0 BEABRO C[C@@H]1CO[C@@H]2C[C@H](C(F)(F)F)C[C@H](C[NH3+])[C@@H]21 ZINC000242687530 525156439 /nfs/dbraw/zinc/15/64/39/525156439.db2.gz ULMGXBABGMHAEG-IGORNWKESA-N 1 0 237.265 2.185 40 0 BEABRO C[C@@H]1C[C@H]2[C@@H](C[C@H](C(F)(F)F)C[C@H]2C[NH3+])O1 ZINC000242495139 525514161 /nfs/dbraw/zinc/51/41/61/525514161.db2.gz FWJZILYJODZJNY-JDDHQFAOSA-N 1 0 237.265 2.327 40 0 BEABRO C[C@@H]1O[C@@H](CC[NH3+])C[C@@H]1Cc1ccccc1 ZINC000225750350 525604993 /nfs/dbraw/zinc/60/49/93/525604993.db2.gz SKEWEKXQTREGSI-UBHSHLNASA-N 1 0 219.328 2.372 40 0 BEABRO O=C1C[C@@H](c2ccccc2)[n+]2ccccc21 ZINC000005488235 980101239 /nfs/dbraw/zinc/10/12/39/980101239.db2.gz UWJFHXCPAWJRIZ-ZDUSSCGKSA-N 1 0 210.256 2.150 40 0 BEABRO CCC(=O)N(c1ccccc1)[C@H]1CC[NH2+]C[C@H]1C ZINC000038919196 1171093853 /nfs/dbraw/zinc/09/38/53/1171093853.db2.gz REORAZISQPSCHR-OCCSQVGLSA-N 1 0 246.354 2.428 40 0 BEABRO [NH3+]Cc1ccc(C(F)(F)F)c(F)c1F ZINC000044248803 1171365163 /nfs/dbraw/zinc/36/51/63/1171365163.db2.gz PEKCLTCAWNBFME-UHFFFAOYSA-N 1 0 211.133 2.442 40 0 BEABRO CC(C)(C)OC(=O)[C@H]([NH3+])C1CCCCC1 ZINC000038037218 346809217 /nfs/dbraw/zinc/80/92/17/346809217.db2.gz SOPMMEPRLRLVOS-SNVBAGLBSA-N 1 0 213.321 2.236 40 0 BEABRO Clc1ccc2c(c1)[C@@H]1C[NH2+]CC[C@@H]1N2 ZINC000071484539 398154097 /nfs/dbraw/zinc/15/40/97/398154097.db2.gz CTRPRBJZXMYEJI-ONGXEEELSA-N 1 0 208.692 2.211 40 0 BEABRO CC[NH+]1CCC(c2nc(C)cc(N(C)C)n2)CC1 ZINC000072361101 343980079 /nfs/dbraw/zinc/98/00/79/343980079.db2.gz BFEPPCOBDONQPS-UHFFFAOYSA-N 1 0 248.374 2.050 40 0 BEABRO C[C@@H]1C[C@@H](OC(=O)c2ccccc2)[C@@H](C)C[NH2+]1 ZINC000015084504 136218494 /nfs/dbraw/zinc/21/84/94/136218494.db2.gz FKYVJLAHWSGDPJ-DMDPSCGWSA-N 1 0 233.311 2.230 40 0 BEABRO Cc1nc(Nc2ccccc2)cc(C2C[NH2+]C2)n1 ZINC000257300367 187331131 /nfs/dbraw/zinc/33/11/31/187331131.db2.gz RUAOLYHBOCAMTH-UHFFFAOYSA-N 1 0 240.310 2.215 40 0 BEABRO Cc1cc(=O)cc([C@H]2CC[N@@H+](C(C)C)C2)[nH]1 ZINC000072383190 178199093 /nfs/dbraw/zinc/19/90/93/178199093.db2.gz MZXVPKOHPVEWKP-NSHDSACASA-N 1 0 220.316 2.293 40 0 BEABRO Cc1cc2[nH]c(CC[NH3+])nc2cc1Cl ZINC000057340815 178277337 /nfs/dbraw/zinc/27/73/37/178277337.db2.gz GVJGLUGECKBVNK-UHFFFAOYSA-N 1 0 209.680 2.026 40 0 BEABRO Cc1ccc(-c2cc(CC[NH3+])[nH]n2)c(C)c1 ZINC000072226121 178320130 /nfs/dbraw/zinc/32/01/30/178320130.db2.gz JUKYNSSDZPTMMP-UHFFFAOYSA-N 1 0 215.300 2.195 40 0 BEABRO Cc1ccc(-c2cnc(CC[NH3+])o2)cc1 ZINC000011587005 178329201 /nfs/dbraw/zinc/32/92/01/178329201.db2.gz XZYMNYKIMZYTDS-UHFFFAOYSA-N 1 0 202.257 2.151 40 0 BEABRO Cc1ccccc1[C@](C)(CN)[NH+]1CCCC1 ZINC000070453397 259313813 /nfs/dbraw/zinc/31/38/13/259313813.db2.gz MMOFUEINCYYSKT-AWEZNQCLSA-N 1 0 218.344 2.265 40 0 BEABRO CC(C)[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]c1 ZINC000072212255 259317579 /nfs/dbraw/zinc/31/75/79/259317579.db2.gz GZYHPKZQODSIQD-LLVKDONJSA-N 1 0 206.289 2.333 40 0 BEABRO O=C(C[NH2+]C1CCCC1)c1cccc(O)c1 ZINC000001742398 342711828 /nfs/dbraw/zinc/71/18/28/342711828.db2.gz FKIIGWVTLHPUSP-UHFFFAOYSA-N 1 0 219.284 2.107 40 0 BEABRO Cc1nn(C(C)C)c(C)c1[C@H](C)OCC[NH3+] ZINC000072219918 259318637 /nfs/dbraw/zinc/31/86/37/259318637.db2.gz OXKIAGHSFWKFBR-NSHDSACASA-N 1 0 225.336 2.117 40 0 BEABRO Cc1cccc(C(=O)C2CC[NH2+]CC2)c1 ZINC000002526406 342722516 /nfs/dbraw/zinc/72/25/16/342722516.db2.gz RCPUYLAUEQCVCU-UHFFFAOYSA-N 1 0 203.285 2.177 40 0 in-vitro BEABRO [NH3+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000002530245 342722910 /nfs/dbraw/zinc/72/29/10/342722910.db2.gz CFNAMLAVUTUGPM-SECBINFHSA-N 1 0 220.099 2.376 40 0 BEABRO Nc1[nH]c2cc([C@@H](O)c3ccccc3)ccc2[nH+]1 ZINC000005117383 342758500 /nfs/dbraw/zinc/75/85/00/342758500.db2.gz IUOONJFBASBHAA-ZDUSSCGKSA-N 1 0 239.278 2.227 40 0 in-vitro BEABRO CC(C)(C)c1cc(C2(C[NH3+])CCC2)no1 ZINC000072220663 259319244 /nfs/dbraw/zinc/31/92/44/259319244.db2.gz KNOUGROQUILQOP-UHFFFAOYSA-N 1 0 208.305 2.353 40 0 BEABRO C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000005599832 342766670 /nfs/dbraw/zinc/76/66/70/342766670.db2.gz QHVQCPPNGSPPHJ-CYBMUJFWSA-N 1 0 205.301 2.062 40 0 BEABRO Cc1cc(C)n(C(=O)CC[NH+]2CCCCC2)n1 ZINC000008569576 342800523 /nfs/dbraw/zinc/80/05/23/342800523.db2.gz PDZADWOLQPWBOL-UHFFFAOYSA-N 1 0 235.331 2.016 40 0 BEABRO Cc1ccc[n+](C[C@H](O)c2ccccc2)c1 ZINC000006523053 342778918 /nfs/dbraw/zinc/77/89/18/342778918.db2.gz PMVWWEXJELUWNS-AWEZNQCLSA-N 1 0 214.288 2.016 40 0 BEABRO [NH3+][C@H]1CCCc2cc(Cl)ccc2[C@@H]1O ZINC000008699467 342802614 /nfs/dbraw/zinc/80/26/14/342802614.db2.gz VVEBJLSVIQAOJM-QWRGUYRKSA-N 1 0 211.692 2.037 40 0 BEABRO CCCN(CCC)c1cc(C)c(C[NH3+])cn1 ZINC000072223283 259320654 /nfs/dbraw/zinc/32/06/54/259320654.db2.gz CSQCJRAYYXYECE-UHFFFAOYSA-N 1 0 221.348 2.475 40 0 BEABRO [NH3+]CC1(c2cc(-c3ccco3)on2)CCC1 ZINC000072220665 259319667 /nfs/dbraw/zinc/31/96/67/259319667.db2.gz GWFHYPLQCQSCBN-UHFFFAOYSA-N 1 0 218.256 2.315 40 0 BEABRO Cc1cc([C@@H]([NH3+])c2ccccc2)cnc1N ZINC000072222051 259319923 /nfs/dbraw/zinc/31/99/23/259319923.db2.gz AJOPGFUJTVEEOR-LBPRGKRZSA-N 1 0 213.284 2.020 40 0 BEABRO CCN(CC)c1ccc([C@H](C)[NH3+])c(C)n1 ZINC000072224309 259321914 /nfs/dbraw/zinc/32/19/14/259321914.db2.gz KJWSHQFTXYPIRI-VIFPVBQESA-N 1 0 207.321 2.256 40 0 BEABRO Cc1cc(N2CCCCCC2)ncc1C[NH3+] ZINC000072223520 259321610 /nfs/dbraw/zinc/32/16/10/259321610.db2.gz DESYVPKLRFFAKD-UHFFFAOYSA-N 1 0 219.332 2.229 40 0 BEABRO CCCN(CCC)c1ccc(C[NH3+])c(C)n1 ZINC000072224325 259321632 /nfs/dbraw/zinc/32/16/32/259321632.db2.gz OJTCXEWFENFUBH-UHFFFAOYSA-N 1 0 221.348 2.475 40 0 BEABRO Cc1nc(OCc2ccccc2)ccc1C[NH3+] ZINC000072224460 259321844 /nfs/dbraw/zinc/32/18/44/259321844.db2.gz AKRZIEGJHOBJHW-UHFFFAOYSA-N 1 0 228.295 2.428 40 0 BEABRO CCN(CC)c1ccc([C@@H](C)[NH3+])c(C)n1 ZINC000072224308 259321877 /nfs/dbraw/zinc/32/18/77/259321877.db2.gz KJWSHQFTXYPIRI-SECBINFHSA-N 1 0 207.321 2.256 40 0 BEABRO CN(C)c1ccc([C@@H]([NH3+])c2ccccc2)cn1 ZINC000072225152 259322128 /nfs/dbraw/zinc/32/21/28/259322128.db2.gz FQNGSQVZLMMCEX-AWEZNQCLSA-N 1 0 227.311 2.196 40 0 BEABRO [NH3+][C@@H](c1ccccc1)c1ccc(=S)[nH]c1 ZINC000072225683 259322760 /nfs/dbraw/zinc/32/27/60/259322760.db2.gz RCTDFGJXQOWFDH-LBPRGKRZSA-N 1 0 216.309 2.418 40 0 BEABRO [NH3+][C@H](c1ccccc1)c1ccc(=S)[nH]c1 ZINC000072225684 259322795 /nfs/dbraw/zinc/32/27/95/259322795.db2.gz RCTDFGJXQOWFDH-GFCCVEGCSA-N 1 0 216.309 2.418 40 0 BEABRO C[C@H]([NH3+])[C@@H]1C[C@H]1c1ccc(N(C)C)cc1 ZINC000242688572 259325944 /nfs/dbraw/zinc/32/59/44/259325944.db2.gz VTBIATVXDXCNEC-XDTLVQLUSA-N 1 0 204.317 2.203 40 0 BEABRO C[C@H]([NH3+])[C@H]1C[C@H]1c1ccc(N(C)C)cc1 ZINC000242688571 259326265 /nfs/dbraw/zinc/32/62/65/259326265.db2.gz VTBIATVXDXCNEC-BIMULSAOSA-N 1 0 204.317 2.203 40 0 BEABRO CC(C)c1ccc([C@H]2C[N@H+](C)C[C@@H]2CO)cc1 ZINC000217671738 398322513 /nfs/dbraw/zinc/32/25/13/398322513.db2.gz OLZNQGPPDNVRMI-HUUCEWRRSA-N 1 0 233.355 2.448 40 0 BEABRO Cc1c2ccccc2[nH]c1C[NH+]1CCC(O)CC1 ZINC000019565903 342951904 /nfs/dbraw/zinc/95/19/04/342951904.db2.gz DJHLFFUEIVHQLB-UHFFFAOYSA-N 1 0 244.338 2.433 40 0 BEABRO CCCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000021300998 343009413 /nfs/dbraw/zinc/00/94/13/343009413.db2.gz ZNICOTLOPCODTO-LLVKDONJSA-N 1 0 242.363 2.386 40 0 BEABRO CC(C)[C@@]12C=CC=CC1=NC=C2CCO ZINC000036377993 187230258 /nfs/dbraw/zinc/23/02/58/187230258.db2.gz NQZYLESITKLIBQ-CYBMUJFWSA-N 1 0 203.285 2.476 40 0 BEABRO CC(C)(C)[C@H](O)C[NH2+]Cc1ccccc1 ZINC000026897857 343110673 /nfs/dbraw/zinc/11/06/73/343110673.db2.gz IIIQLKNDWDXXNP-GFCCVEGCSA-N 1 0 207.317 2.183 40 0 BEABRO CCCc1cc(OC)c(CC[NH3+])cc1OC ZINC000027216838 343114330 /nfs/dbraw/zinc/11/43/30/343114330.db2.gz PZJOKFZGPTVNBF-UHFFFAOYSA-N 1 0 223.316 2.158 40 0 in-vitro BEABRO CC(=O)O[C@@]1(c2ccccc2)C[C@@H](C)C[N@H+](C)C1 ZINC000004474745 187247299 /nfs/dbraw/zinc/24/72/99/187247299.db2.gz QSTBERFREDOMJD-DOMZBBRYSA-N 1 0 247.338 2.417 40 0 BEABRO CC(C)N(Cc1cccc(Cl)c1)C(=O)C[NH3+] ZINC000032090445 343290905 /nfs/dbraw/zinc/29/09/05/343290905.db2.gz GXOJGUAOHASDBQ-UHFFFAOYSA-N 1 0 240.734 2.036 40 0 BEABRO [NH3+][C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000037381256 343344297 /nfs/dbraw/zinc/34/42/97/343344297.db2.gz YOZWARUYCJJUCK-RFZPGFLSSA-N 1 0 218.119 2.325 40 0 BEABRO C[C@@H](CN1CCC[NH2+]CC1)c1ccccc1 ZINC000040240932 343399099 /nfs/dbraw/zinc/39/90/99/343399099.db2.gz WYPAWXHOCYERMM-ZDUSSCGKSA-N 1 0 218.344 2.085 40 0 BEABRO CSc1ccc(CN(CC[NH3+])C2CC2)cc1 ZINC000079420467 187263175 /nfs/dbraw/zinc/26/31/75/187263175.db2.gz YLEWDXUYGNZVEP-UHFFFAOYSA-N 1 0 236.384 2.332 40 0 BEABRO COc1cccc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000096311747 343668187 /nfs/dbraw/zinc/66/81/87/343668187.db2.gz MPSHXVJDDRMDSW-FGWVZKOKSA-N 1 0 218.300 2.088 40 0 BEABRO CC(C)c1ccc([C@H]2C[NH2+]C[C@H]2CO)cc1 ZINC000396889103 343811010 /nfs/dbraw/zinc/81/10/10/343811010.db2.gz WPBFLTJXKXQYSU-UONOGXRCSA-N 1 0 219.328 2.105 40 0 BEABRO CCOC(=O)[C@@H]1CC[NH2+][C@H]1c1cccc(F)c1 ZINC000257197784 344239861 /nfs/dbraw/zinc/23/98/61/344239861.db2.gz JEAZYSLWBMPPRO-NEPJUHHUSA-N 1 0 237.274 2.039 40 0 BEABRO CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCN2CC1CC1 ZINC000096055788 344366068 /nfs/dbraw/zinc/36/60/68/344366068.db2.gz IGMNDBYSIAALRP-UONOGXRCSA-N 1 0 222.376 2.201 40 0 BEABRO CO[C@H]1CCC[NH2+][C@H]1Cc1ccccc1F ZINC000585274844 344397142 /nfs/dbraw/zinc/39/71/42/344397142.db2.gz PIRSMJKUAVDGBC-STQMWFEESA-N 1 0 223.291 2.135 40 0 BEABRO COc1ccc(OC)c([C@@H]2C[C@H]2[C@@H](C)[NH3+])c1 ZINC000020594416 344510120 /nfs/dbraw/zinc/51/01/20/344510120.db2.gz DPZMVJPIWKFHMT-DVVUODLYSA-N 1 0 221.300 2.155 40 0 BEABRO CC1(C)[C@H]2CC[C@]1(C)[C@H]([C@@H](C[NH3+])CO)C2 ZINC000072210462 344512588 /nfs/dbraw/zinc/51/25/88/344512588.db2.gz OCNAGPQNZVNTGV-MRBYEJRBSA-N 1 0 211.349 2.016 40 0 BEABRO CCC[N@@H+]1CCC[C@@H]1c1c[nH]c(=O)c(C)c1 ZINC000072217959 344514190 /nfs/dbraw/zinc/51/41/90/344514190.db2.gz AGJVINAMUDZKQN-GFCCVEGCSA-N 1 0 220.316 2.230 40 0 BEABRO Nc1cccc(C2=[NH+][C@H]3C=CC=C[C@H]3N=C2)c1 ZINC000000169281 344587143 /nfs/dbraw/zinc/58/71/43/344587143.db2.gz NXWUUVBGDHHZDU-OLZOCXBDSA-N 1 0 223.279 2.006 40 0 BEABRO Nc1cccc(C2=[NH+][C@@H]3C=CC=C[C@@H]3N=C2)c1 ZINC000000169288 344587169 /nfs/dbraw/zinc/58/71/69/344587169.db2.gz NXWUUVBGDHHZDU-QWHCGFSZSA-N 1 0 223.279 2.006 40 0 BEABRO C[N@@H+]1CCC[C@@H]1C[C@H]1CNc2cccc(O)c21 ZINC000504729502 530057843 /nfs/dbraw/zinc/05/78/43/530057843.db2.gz IEZDBJGTSJCFTD-WDEREUQCSA-N 1 0 232.327 2.386 40 0 BEABRO Cc1ccc(OC2CC[NH2+]CC2)c(F)c1 ZINC000038580854 178808433 /nfs/dbraw/zinc/80/84/33/178808433.db2.gz FLBWERBJNHEEEZ-UHFFFAOYSA-N 1 0 209.264 2.265 40 0 BEABRO CC(C)C[C@@H]([NH3+])CC(=O)OC(C)(C)C ZINC000002572714 187361297 /nfs/dbraw/zinc/36/12/97/187361297.db2.gz WBOPVTYXLFEVGP-SECBINFHSA-N 1 0 201.310 2.092 40 0 BEABRO [NH3+]Cc1cccnc1-c1ccc(F)cc1 ZINC000082639068 187318179 /nfs/dbraw/zinc/31/81/79/187318179.db2.gz XHTMCIPXJSFGCP-UHFFFAOYSA-N 1 0 202.232 2.346 40 0 BEABRO Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+]C1CC1 ZINC000064875584 179042566 /nfs/dbraw/zinc/04/25/66/179042566.db2.gz KEJXOCOYNANZNH-NSHDSACASA-N 1 0 232.327 2.382 40 0 BEABRO C[n+]1ccc(/C=C/c2ccc(O)cc2)cc1 ZINC000000242385 346401143 /nfs/dbraw/zinc/40/11/43/346401143.db2.gz DBOHWMPKJCJANT-UHFFFAOYSA-O 1 0 212.272 2.387 40 0 BEABRO CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000148754165 346504723 /nfs/dbraw/zinc/50/47/23/346504723.db2.gz WFNGGMDLHFWFRK-VHSXEESVSA-N 1 0 228.336 2.029 40 0 BEABRO C[C@@H]1[C@H]2CC[N@H+](C)[C@@H]1Cc1ccc(O)cc12 ZINC000005766169 346627055 /nfs/dbraw/zinc/62/70/55/346627055.db2.gz SVPZRQDNNLAJMW-GAJTVXKRSA-N 1 0 217.312 2.372 40 0 BEABRO Cc1cccc([C@H](CO)[NH+]2CCCC2)c1 ZINC000041213740 179200437 /nfs/dbraw/zinc/20/04/37/179200437.db2.gz DRBFZOZCKPPCRT-ZDUSSCGKSA-N 1 0 205.301 2.124 40 0 BEABRO Cc1cccc([C@H](O)C2(C[NH3+])CC(C)C2)c1 ZINC000085396033 179202809 /nfs/dbraw/zinc/20/28/09/179202809.db2.gz JDTBFYJBBSQCOU-QRMWWUJWSA-N 1 0 219.328 2.403 40 0 BEABRO Cc1c(-c2ccccc2C)[nH+]c(N)n1C ZINC000199560078 179238263 /nfs/dbraw/zinc/23/82/63/179238263.db2.gz WDMMCRYSQZNGAX-UHFFFAOYSA-N 1 0 201.273 2.286 40 0 BEABRO O=C(OCc1ccccc1)[C@H]1C[C@@H]2CCC[C@@H]2[NH2+]1 ZINC000021984128 347599385 /nfs/dbraw/zinc/59/93/85/347599385.db2.gz KEDWLCOPRDSQBB-MELADBBJSA-N 1 0 245.322 2.260 40 0 BEABRO Cc1ccccc1[C@H](CN)[NH+]1CCCCC1 ZINC000038827602 179342211 /nfs/dbraw/zinc/34/22/11/179342211.db2.gz VLNKNMJEGZNBOP-AWEZNQCLSA-N 1 0 218.344 2.481 40 0 BEABRO [NH3+][C@@H]1CCCN(Cc2ccc(F)c(Cl)c2)C1 ZINC000038539753 348704570 /nfs/dbraw/zinc/70/45/70/348704570.db2.gz HRMCIVGHTOIGPU-SNVBAGLBSA-N 1 0 242.725 2.402 40 0 BEABRO CC(C)Nc1ncc(C[NH2+]C(C)(C)C)cn1 ZINC000062717597 259407585 /nfs/dbraw/zinc/40/75/85/259407585.db2.gz VWKCKSOTHJYFFW-UHFFFAOYSA-N 1 0 222.336 2.185 40 0 BEABRO COC(=O)[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000022123398 350084537 /nfs/dbraw/zinc/08/45/37/350084537.db2.gz XDQPQKPDOHHYTL-NSHDSACASA-N 1 0 213.321 2.060 40 0 BEABRO Cc1nc2ccccc2n1[C@@H]1CCC[NH2+]C1 ZINC000002577400 180104124 /nfs/dbraw/zinc/10/41/24/180104124.db2.gz DUKNGBYLXZMJCK-LLVKDONJSA-N 1 0 215.300 2.269 40 0 BEABRO [NH3+][C@@H](c1ccccc1)C1(O)CCCCC1 ZINC000034099951 350256603 /nfs/dbraw/zinc/25/66/03/350256603.db2.gz QYZQCUZVVZWJDT-LBPRGKRZSA-N 1 0 205.301 2.382 40 0 BEABRO Cc1nccn1CCC[NH2+]C[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000085303038 180244702 /nfs/dbraw/zinc/24/47/02/180244702.db2.gz BKLYYGDFUQLEKM-QLFBSQMISA-N 1 0 245.370 2.383 40 0 BEABRO [NH3+][C@H]1CCN(Cc2cccc(F)c2Cl)C1 ZINC000038538768 362960326 /nfs/dbraw/zinc/96/03/26/362960326.db2.gz KXRGIHZTJQYJTE-VIFPVBQESA-N 1 0 228.698 2.012 40 0 BEABRO Cc1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000005023391 191120903 /nfs/dbraw/zinc/12/09/03/191120903.db2.gz BVEROKWZMYREBD-CQSZACIVSA-N 1 0 249.354 2.221 40 0 BEABRO CSCC[C@@H](N)c1nc(C2CCCC2)no1 ZINC000037756500 350760782 /nfs/dbraw/zinc/76/07/82/350760782.db2.gz BNEZDHOGRMUPAQ-SECBINFHSA-N 1 0 241.360 2.480 40 0 BEABRO CCN(CC)CC[NH2+]Cc1ccc(C)cc1 ZINC000019919164 350852106 /nfs/dbraw/zinc/85/21/06/350852106.db2.gz NCVKKZVVOQFWQT-UHFFFAOYSA-N 1 0 220.360 2.426 40 0 BEABRO [NH3+][C@H]1CCCN(Cc2c(F)cccc2Cl)C1 ZINC000038539948 362984729 /nfs/dbraw/zinc/98/47/29/362984729.db2.gz YALCFCBAGHMZIK-VIFPVBQESA-N 1 0 242.725 2.402 40 0 BEABRO Cc1cn2c(C[NH2+]CC(C)C)cnc2s1 ZINC000256053312 351033504 /nfs/dbraw/zinc/03/35/04/351033504.db2.gz QXZLDERDHBTHSO-UHFFFAOYSA-N 1 0 223.345 2.450 40 0 BEABRO Cn1c2ccccc2[n+](C)c1-c1ccc(O)cc1 ZINC000071255327 180606895 /nfs/dbraw/zinc/60/68/95/180606895.db2.gz DDNCIKOCUNEWKU-UHFFFAOYSA-O 1 0 239.298 2.375 40 0 BEABRO CC[n+]1cccc(-c2nc3cc(N)ccc3o2)c1 ZINC000226778090 187636757 /nfs/dbraw/zinc/63/67/57/187636757.db2.gz SSQWGDBWAXWHDY-UHFFFAOYSA-N 1 0 240.286 2.384 40 0 BEABRO [NH3+][C@@H](CCO)c1cccc2ccccc21 ZINC000044197924 352207054 /nfs/dbraw/zinc/20/70/54/352207054.db2.gz WMFVLYNMUQRXTB-ZDUSSCGKSA-N 1 0 201.269 2.222 40 0 BEABRO CC(C)([NH3+])c1ccccc1OC(F)F ZINC000089262696 187625454 /nfs/dbraw/zinc/62/54/54/187625454.db2.gz CGGGYTBUDRSEMD-UHFFFAOYSA-N 1 0 201.216 2.482 40 0 BEABRO CO[C@@H](C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000003634180 352322149 /nfs/dbraw/zinc/32/21/49/352322149.db2.gz FTABFGUDULLKPD-VIFPVBQESA-N 1 0 219.206 2.352 40 0 BEABRO CCc1ccccc1NC(=O)C1CC[NH2+]CC1 ZINC000019409331 187665518 /nfs/dbraw/zinc/66/55/18/187665518.db2.gz IRXHNNMFEWRGCY-UHFFFAOYSA-N 1 0 232.327 2.187 40 0 BEABRO CN(CC[C@@H]1CCCC[NH2+]1)C(=O)OC(C)(C)C ZINC000019843834 363185241 /nfs/dbraw/zinc/18/52/41/363185241.db2.gz SIXXXTZPDOPMFL-NSHDSACASA-N 1 0 242.363 2.386 40 0 BEABRO Cn1nc(C2CC[NH2+]CC2)c2ccc(F)cc21 ZINC000034212250 180804634 /nfs/dbraw/zinc/80/46/34/180804634.db2.gz UYHMFEUGBDQNAM-UHFFFAOYSA-N 1 0 233.290 2.179 40 0 BEABRO CC(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000004962055 188276197 /nfs/dbraw/zinc/27/61/97/188276197.db2.gz OTICEGQZKVSVIB-AWEZNQCLSA-N 1 0 233.311 2.214 40 0 BEABRO CC(C)([NH3+])[C@H](O)c1cccc(Br)c1 ZINC000019684303 188281858 /nfs/dbraw/zinc/28/18/58/188281858.db2.gz LFEUDFRKSCSGPS-SECBINFHSA-N 1 0 244.132 2.220 40 0 BEABRO C([C@H]1[NH2+]CC[C@@H]2CCCC[C@@H]12)N1CCCC1 ZINC000039982818 188291442 /nfs/dbraw/zinc/29/14/42/188291442.db2.gz WYMMZJPKJFWTSS-BFHYXJOUSA-N 1 0 222.376 2.251 40 0 BEABRO CC(C)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000072356982 188307347 /nfs/dbraw/zinc/30/73/47/188307347.db2.gz HDZMXGIFJMATSD-GFCCVEGCSA-N 1 0 221.348 2.083 40 0 BEABRO CC(C)Cc1nnc([C@H]([NH3+])Cc2ccccc2)[nH]1 ZINC000095534916 188320488 /nfs/dbraw/zinc/32/04/88/188320488.db2.gz RCIFGFJVPUZILB-GFCCVEGCSA-N 1 0 244.342 2.246 40 0 BEABRO [NH3+][C@@H](Cc1ccccc1)c1nccs1 ZINC000006575219 353407447 /nfs/dbraw/zinc/40/74/47/353407447.db2.gz ADXGZQRJIYRSGK-JTQLQIEISA-N 1 0 204.298 2.386 40 0 in-vitro BEABRO Fc1ccccc1COC[C@@H]1CCCC[NH2+]1 ZINC000028521886 181013324 /nfs/dbraw/zinc/01/33/24/181013324.db2.gz YWLKUPBLUWDJSY-LBPRGKRZSA-N 1 0 223.291 2.484 40 0 BEABRO Fc1ccccc1-c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000071396692 181009037 /nfs/dbraw/zinc/00/90/37/181009037.db2.gz BFMJKCXOJOFISB-JTQLQIEISA-N 1 0 233.246 2.300 40 0 BEABRO Fc1ccccc1-c1nc([C@H]2CCC[NH2+]C2)no1 ZINC000062257533 181009667 /nfs/dbraw/zinc/00/96/67/181009667.db2.gz ZFHFNSDFNOKROG-VIFPVBQESA-N 1 0 247.273 2.343 40 0 BEABRO NC(=[NH2+])SCc1cc(F)cc(F)c1 ZINC000071980732 181192540 /nfs/dbraw/zinc/19/25/40/181192540.db2.gz CBSLCFWMDRXONF-UHFFFAOYSA-N 1 0 202.229 2.091 40 0 BEABRO NC(=[NH2+])SCc1ccc(F)c(F)c1 ZINC000071980702 181192977 /nfs/dbraw/zinc/19/29/77/181192977.db2.gz LYMAFVWBQZGUTF-UHFFFAOYSA-N 1 0 202.229 2.091 40 0 BEABRO NC(=[NH2+])c1ccc(F)c(C(F)(F)F)c1 ZINC000140407403 181194985 /nfs/dbraw/zinc/19/49/85/181194985.db2.gz OXGKQLUNKCFQNS-UHFFFAOYSA-N 1 0 206.142 2.129 40 0 BEABRO NC(=[NH2+])c1ccc(OC(=O)c2ccccc2)cc1 ZINC000002564424 181194989 /nfs/dbraw/zinc/19/49/89/181194989.db2.gz FXWXBLXPGAZOHE-UHFFFAOYSA-N 1 0 240.262 2.190 40 0 BEABRO C[C@@H]1c2ccccc2OCC[N@H+]1CC1(C)COC1 ZINC000608561340 355858999 /nfs/dbraw/zinc/85/89/99/355858999.db2.gz GUNAHLHMKVMCND-GFCCVEGCSA-N 1 0 247.338 2.479 40 0 BEABRO CCOc1ccc(NC2CC[NH2+]CC2)cc1 ZINC000004245570 357337067 /nfs/dbraw/zinc/33/70/67/357337067.db2.gz ADYQUBHCUKNMNR-UHFFFAOYSA-N 1 0 220.316 2.249 40 0 BEABRO Cc1nn(C)cc1C[NH2+]Cc1cccs1 ZINC000020351169 357339358 /nfs/dbraw/zinc/33/93/58/357339358.db2.gz FSYCJYDHPWTUDP-UHFFFAOYSA-N 1 0 221.329 2.080 40 0 BEABRO CC(C)C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000067800941 357344572 /nfs/dbraw/zinc/34/45/72/357344572.db2.gz MKWVEGFRVLKKGA-LLVKDONJSA-N 1 0 242.363 2.241 40 0 BEABRO Cc1ccc(OCC[NH+]2CCCCC2)cn1 ZINC000190091887 357683476 /nfs/dbraw/zinc/68/34/76/357683476.db2.gz XMPWQXJPJJWVOG-UHFFFAOYSA-N 1 0 220.316 2.255 40 0 BEABRO CC(C)(C)c1c[nH]c(C2CC[NH2+]CC2)n1 ZINC000036874262 360002185 /nfs/dbraw/zinc/00/21/85/360002185.db2.gz YYGZDOWPSKSBPW-UHFFFAOYSA-N 1 0 207.321 2.174 40 0 BEABRO CC(C)[C@H]([NH3+])c1nc(-c2cccs2)n[nH]1 ZINC000054700168 259521128 /nfs/dbraw/zinc/52/11/28/259521128.db2.gz GPUFLMSTQAEFKW-QMMMGPOBSA-N 1 0 222.317 2.189 40 0 BEABRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccccc1 ZINC000039646465 361065091 /nfs/dbraw/zinc/06/50/91/361065091.db2.gz YLEOMBARMPNDLK-OKILXGFUSA-N 1 0 229.323 2.425 40 0 BEABRO COc1ccc([C@H]2CCCC[NH2+]2)c(C)n1 ZINC000072218089 259526937 /nfs/dbraw/zinc/52/69/37/259526937.db2.gz MUOYZWHKQHKTCB-LLVKDONJSA-N 1 0 206.289 2.213 40 0 BEABRO CC[C@@H]([NH3+])c1cnc(NC2CC2)c(C)c1 ZINC000072222775 259531896 /nfs/dbraw/zinc/53/18/96/259531896.db2.gz PTKIRIPYJGANNQ-LLVKDONJSA-N 1 0 205.305 2.374 40 0 BEABRO [NH3+]CCOCc1c(Cl)cccc1Cl ZINC000028522052 181399296 /nfs/dbraw/zinc/39/92/96/181399296.db2.gz VDHGFBAGQBPUIQ-UHFFFAOYSA-N 1 0 220.099 2.469 40 0 BEABRO [NH3+]C[C@@H](c1c[nH]c2ncccc12)C(F)(F)F ZINC000022170829 181423961 /nfs/dbraw/zinc/42/39/61/181423961.db2.gz FCUGDENPKOENIB-QMMMGPOBSA-N 1 0 229.205 2.168 40 0 BEABRO [NH3+]CCc1cc(F)ccc1C(F)(F)F ZINC000044396802 181411611 /nfs/dbraw/zinc/41/16/11/181411611.db2.gz FTJNYYAPZBRQIB-UHFFFAOYSA-N 1 0 207.170 2.346 40 0 BEABRO c1cc([C@@H]2CC[N@@H+](Cc3ccsc3)C2)n[nH]1 ZINC000205688194 368358540 /nfs/dbraw/zinc/35/85/40/368358540.db2.gz MPLYQCLZURYFKK-LLVKDONJSA-N 1 0 233.340 2.461 40 0 BEABRO COc1ccc([C@@H]2C[C@@H]2[C@H](C)[NH3+])cc1OC ZINC000108019102 369372090 /nfs/dbraw/zinc/37/20/90/369372090.db2.gz HYRHCZXUDHOWNL-GDPRMGEGSA-N 1 0 221.300 2.155 40 0 BEABRO COc1ccc(OC)c([C@@H]2C[C@H]2[C@H](C)[NH3+])c1 ZINC000108019098 369372290 /nfs/dbraw/zinc/37/22/90/369372290.db2.gz DPZMVJPIWKFHMT-INTQDDNPSA-N 1 0 221.300 2.155 40 0 BEABRO C[NH2+][C@H](C)Cc1cc2c(cc1Cl)OCO2 ZINC000202429047 369419875 /nfs/dbraw/zinc/41/98/75/369419875.db2.gz UUGIOXDVHPQROZ-SSDOTTSWSA-N 1 0 227.691 2.219 40 0 in-vitro BEABRO CN(C)c1nc([C@H]2CCCC[NH2+]2)cn2cccc12 ZINC000205686919 369996742 /nfs/dbraw/zinc/99/67/42/369996742.db2.gz ZRTXHWGHAKZJBU-LLVKDONJSA-N 1 0 244.342 2.215 40 0 BEABRO CC(=O)N1CCCC[C@H]1CC[C@H]1CCCC[NH2+]1 ZINC000252497313 370062280 /nfs/dbraw/zinc/06/22/80/370062280.db2.gz QDLPLRVGHSLZQZ-KGLIPLIRSA-N 1 0 238.375 2.310 40 0 BEABRO [NH3+][C@@H](CO)C(c1ccccc1)c1ccccc1 ZINC000034745015 181548000 /nfs/dbraw/zinc/54/80/00/181548000.db2.gz SDDOXKGXOXANAF-AWEZNQCLSA-N 1 0 227.307 2.138 40 0 BEABRO [NH3+][C@@H]1CCCc2cc(Cl)ccc2[C@@H]1O ZINC000008699468 181586219 /nfs/dbraw/zinc/58/62/19/181586219.db2.gz VVEBJLSVIQAOJM-MNOVXSKESA-N 1 0 211.692 2.037 40 0 BEABRO CCN1CC[NH+](Cc2ccccc2[S-])CC1 ZINC000095738737 371338679 /nfs/dbraw/zinc/33/86/79/371338679.db2.gz UGWYSMVXZKSMLD-UHFFFAOYSA-N 1 0 236.384 2.113 40 0 BEABRO Nc1cccc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000096311684 181742555 /nfs/dbraw/zinc/74/25/55/181742555.db2.gz NXIHAFCCQLKFTE-VGPLMAKISA-N 1 0 202.301 2.267 40 0 BEABRO O=C(c1ccc(C[NH+]2CCCC2)o1)N1CCCC1 ZINC000027984563 371558829 /nfs/dbraw/zinc/55/88/29/371558829.db2.gz UPXNZCIBTCBMNC-UHFFFAOYSA-N 1 0 248.326 2.111 40 0 BEABRO NCC(F)(F)Sc1cccc(F)c1 ZINC000131749240 371665715 /nfs/dbraw/zinc/66/57/15/371665715.db2.gz NCPCYLJLVQEGHE-UHFFFAOYSA-N 1 0 207.220 2.469 40 0 BEABRO Clc1ccc(CO[C@H]2CCC[NH2+]C2)cn1 ZINC000040434841 373264680 /nfs/dbraw/zinc/26/46/80/373264680.db2.gz VHWKUUWNPYVHED-JTQLQIEISA-N 1 0 226.707 2.004 40 0 BEABRO O=C(Nc1ccc2[nH]ccc2c1)C1CC[NH2+]CC1 ZINC000040809752 182363171 /nfs/dbraw/zinc/36/31/71/182363171.db2.gz QOFDXTZLSAXDHO-UHFFFAOYSA-N 1 0 243.310 2.106 40 0 BEABRO CCOC(=O)CC1[C@@H](C)[C@@H](C)[NH2+][C@@H](C)[C@H]1C ZINC000104124869 170198014 /nfs/dbraw/zinc/19/80/14/170198014.db2.gz KZLXDLZVUUMHCG-ZLERWKPPSA-N 1 0 227.348 2.208 40 0 BEABRO CCOC(=O)CC[NH2+][C@@H]1CCCC[C@H]1C ZINC000036667563 170209708 /nfs/dbraw/zinc/20/97/08/170209708.db2.gz XKHGOPJHZZPKGU-GHMZBOCLSA-N 1 0 213.321 2.108 40 0 BEABRO OC1(c2cccc3ccccc32)CC[NH2+]CC1 ZINC000055193330 183022998 /nfs/dbraw/zinc/02/29/98/183022998.db2.gz UFPWCQRRHUQPFY-UHFFFAOYSA-N 1 0 227.307 2.411 40 0 BEABRO OCC[N@H+]([C@@H]1C=CCC1)C1CCCCC1 ZINC000004410882 183064064 /nfs/dbraw/zinc/06/40/64/183064064.db2.gz BPDQIAHMBNSGOD-CYBMUJFWSA-N 1 0 209.333 2.332 40 0 BEABRO OCC[C@H](c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000001720361 183097487 /nfs/dbraw/zinc/09/74/87/183097487.db2.gz ORLHWXNQUUVXDC-KGLIPLIRSA-N 1 0 219.328 2.295 40 0 BEABRO OCC[C@@H](c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000001720360 183090590 /nfs/dbraw/zinc/09/05/90/183090590.db2.gz ORLHWXNQUUVXDC-UONOGXRCSA-N 1 0 219.328 2.295 40 0 BEABRO CCCC[C@H]1CN(C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000021301003 169014282 /nfs/dbraw/zinc/01/42/82/169014282.db2.gz ZNICOTLOPCODTO-NSHDSACASA-N 1 0 242.363 2.386 40 0 BEABRO CCCCn1c2ccccc2nc1CC[NH3+] ZINC000019734099 169034286 /nfs/dbraw/zinc/03/42/86/169034286.db2.gz PVPYVMGUOLHWCG-UHFFFAOYSA-N 1 0 217.316 2.338 40 0 BEABRO O[C@@H](C[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000001567967 183183251 /nfs/dbraw/zinc/18/32/51/183183251.db2.gz OPZVPQVONVBYTF-OLZOCXBDSA-N 1 0 205.301 2.252 40 0 BEABRO O[C@@]1(c2ccc(F)cc2)CCC[C@H]2C[NH2+]C[C@@H]21 ZINC000013997963 183218433 /nfs/dbraw/zinc/21/84/33/183218433.db2.gz KADNKMBDWLQVRJ-LEWSCRJBSA-N 1 0 235.302 2.033 40 0 BEABRO O[C@H]1CCCC[C@H]1[NH2+]CCc1ccccc1 ZINC000037490598 183232501 /nfs/dbraw/zinc/23/25/01/183232501.db2.gz JPAIYTGSQOJXTB-KGLIPLIRSA-N 1 0 219.328 2.122 40 0 BEABRO CCC[NH+](CCC)[C@H](C)C(=O)OCC ZINC000043638470 169152636 /nfs/dbraw/zinc/15/26/36/169152636.db2.gz DBKOAMIGSHZPIS-SNVBAGLBSA-N 1 0 201.310 2.060 40 0 BEABRO c1cc(-c2noc([C@@H]3CCC[NH2+]3)n2)cs1 ZINC000036825893 183333874 /nfs/dbraw/zinc/33/38/74/183333874.db2.gz KHVSZAPJFWMKMR-QMMMGPOBSA-N 1 0 221.285 2.223 40 0 BEABRO c1cc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)n[nH]1 ZINC000072187762 183341674 /nfs/dbraw/zinc/34/16/74/183341674.db2.gz KGQVCDKEBFLIOC-CYBMUJFWSA-N 1 0 242.326 2.184 40 0 BEABRO c1cc(CSCC2CC[NH2+]CC2)ccn1 ZINC000091365923 183354803 /nfs/dbraw/zinc/35/48/03/183354803.db2.gz YITGWKXXVBDBCL-UHFFFAOYSA-N 1 0 222.357 2.314 40 0 BEABRO c1cc(C2CC[NH2+]CC2)n(C2CCCC2)n1 ZINC000096509759 183336544 /nfs/dbraw/zinc/33/65/44/183336544.db2.gz WBWNPEFQBMBAKZ-UHFFFAOYSA-N 1 0 219.332 2.465 40 0 BEABRO c1cc([C@H]2CCC[NH2+]C2)cc2c1OCC2 ZINC000038539279 183371360 /nfs/dbraw/zinc/37/13/60/183371360.db2.gz QIXIYHYEHXOPAE-LBPRGKRZSA-N 1 0 203.285 2.089 40 0 BEABRO CCC[NH2+]Cc1cnn2ccc(C)cc12 ZINC000096509135 169269972 /nfs/dbraw/zinc/26/99/72/169269972.db2.gz MUPGAAGAHQZBJQ-UHFFFAOYSA-N 1 0 203.289 2.142 40 0 BEABRO c1ccc(CN2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000082346507 183398601 /nfs/dbraw/zinc/39/86/01/183398601.db2.gz OOKMXRYWLZPJSM-HNNXBMFYSA-N 1 0 230.355 2.405 40 0 BEABRO c1ccc(CO[C@H]2C[NH2+]CC[C@]23CCCO3)cc1 ZINC000257202643 183407709 /nfs/dbraw/zinc/40/77/09/183407709.db2.gz AMSIXYZLRHTKJZ-LSDHHAIUSA-N 1 0 247.338 2.114 40 0 BEABRO c1c2c(nn1Cc1ccccc1)C[C@H]1CC[C@@H]2[NH2+]1 ZINC000096510261 183412515 /nfs/dbraw/zinc/41/25/15/183412515.db2.gz JXEJEWOQGSCZGP-OCCSQVGLSA-N 1 0 239.322 2.281 40 0 BEABRO c1ccc2c(c1)cncc2C[C@@H]1CC[NH2+]C1 ZINC000072367578 183439127 /nfs/dbraw/zinc/43/91/27/183439127.db2.gz DXFBGDARBALNCX-NSHDSACASA-N 1 0 212.296 2.387 40 0 BEABRO c1ccc([C@@H]2COC3(C2)CC[NH2+]CC3)cc1 ZINC000238098711 183427657 /nfs/dbraw/zinc/42/76/57/183427657.db2.gz GNVPYMIJYSFKIB-ZDUSSCGKSA-N 1 0 217.312 2.313 40 0 BEABRO c1ccc2c(c1)NCCC1(CC[NH2+]CC1)O2 ZINC000084309877 183451233 /nfs/dbraw/zinc/45/12/33/183451233.db2.gz XCADFHMVFADFDY-UHFFFAOYSA-N 1 0 218.300 2.003 40 0 BEABRO CCC[C@@H](C)[NH2+]CCC(=O)OC(C)(C)C ZINC000047218948 169369615 /nfs/dbraw/zinc/36/96/15/169369615.db2.gz CZAYEBWYBQCNAX-SNVBAGLBSA-N 1 0 215.337 2.496 40 0 BEABRO CCCn1nccc1C[NH2+]CCCOC(C)C ZINC000159989783 169626213 /nfs/dbraw/zinc/62/62/13/169626213.db2.gz VWGWMLCPARXHNB-UHFFFAOYSA-N 1 0 239.363 2.198 40 0 BEABRO C[NH+](C)CCN(c1ccccn1)c1ccccn1 ZINC000001602377 383911512 /nfs/dbraw/zinc/91/15/12/383911512.db2.gz AEVXEHJXDBSFHO-UHFFFAOYSA-N 1 0 242.326 2.176 40 0 in-vitro BEABRO CCC[C@@]1(C)[NH2+]CCO[C@]1(O)c1ccccc1 ZINC000001622225 383914821 /nfs/dbraw/zinc/91/48/21/383914821.db2.gz OUPZQTOWDCRSCT-ZIAGYGMSSA-N 1 0 235.327 2.010 40 0 BEABRO CCC[C@@]1(C)[NH2+]CCO[C@@]1(O)c1ccccc1 ZINC000001622227 383915609 /nfs/dbraw/zinc/91/56/09/383915609.db2.gz OUPZQTOWDCRSCT-KGLIPLIRSA-N 1 0 235.327 2.010 40 0 BEABRO C[NH+](C)CCc1c[nH]c2ccc(F)cc12 ZINC000002599104 383980921 /nfs/dbraw/zinc/98/09/21/383980921.db2.gz BXYDWQABVPBLBU-UHFFFAOYSA-N 1 0 206.264 2.411 40 0 BEABRO [NH3+]C[C@H](c1ccc(F)c(F)c1)N1CCCC1 ZINC000022167261 383984666 /nfs/dbraw/zinc/98/46/66/383984666.db2.gz YCCYMMUPEGAVFC-GFCCVEGCSA-N 1 0 226.270 2.060 40 0 BEABRO [NH3+]Cc1ccc(NCc2ccccc2)nc1 ZINC000071518860 383997078 /nfs/dbraw/zinc/99/70/78/383997078.db2.gz BREABVHQHCVVGF-UHFFFAOYSA-N 1 0 213.284 2.152 40 0 BEABRO CC[C@H]([NH3+])COCc1c(F)cccc1F ZINC000089262677 383954419 /nfs/dbraw/zinc/95/44/19/383954419.db2.gz HIKLYJACZCGZAZ-QMMMGPOBSA-N 1 0 215.243 2.219 40 0 BEABRO C[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C1=CCC[N@@H+]1CCO ZINC000004706116 384077589 /nfs/dbraw/zinc/07/75/89/384077589.db2.gz ZKIQIBMWSCOAME-KZVDOYCCSA-N 1 0 221.344 2.251 40 0 BEABRO Fc1ccc2c(c1)[nH]cc2[C@H]1CC[NH2+]C1 ZINC000070453471 384108659 /nfs/dbraw/zinc/10/86/59/384108659.db2.gz BVCGGWSWVISFKH-QMMMGPOBSA-N 1 0 204.248 2.384 40 0 BEABRO CC[C@H]([NH3+])[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000072208944 384123337 /nfs/dbraw/zinc/12/33/37/384123337.db2.gz ITYCDWJGFHHPIF-UWVGGRQHSA-N 1 0 230.352 2.273 40 0 BEABRO CN(CC[NH3+])Cc1cc(Cl)ccc1Cl ZINC000079420141 384141910 /nfs/dbraw/zinc/14/19/10/384141910.db2.gz KWOCIYVJIVMLLQ-UHFFFAOYSA-N 1 0 233.142 2.384 40 0 BEABRO CC[C@H](c1ccccc1)N(C(=O)[C@H](C)[NH3+])C1CC1 ZINC000079421272 384144243 /nfs/dbraw/zinc/14/42/43/384144243.db2.gz GUTOZEGTJSJQMH-SMDDNHRTSA-N 1 0 246.354 2.476 40 0 BEABRO CC[C@H](c1ccccc1)N(C(=O)C[NH3+])C1CC1 ZINC000079421178 384145496 /nfs/dbraw/zinc/14/54/96/384145496.db2.gz LQPYDHWFVPEZDN-CYBMUJFWSA-N 1 0 232.327 2.087 40 0 BEABRO CCO[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043022384 384171948 /nfs/dbraw/zinc/17/19/48/384171948.db2.gz AXMLUCLUVDRMIR-JTQLQIEISA-N 1 0 244.132 2.485 40 0 BEABRO c1nc2ccccc2n1C[C@@H]1CCCC[NH2+]1 ZINC000043494232 384188789 /nfs/dbraw/zinc/18/87/89/384188789.db2.gz SNCQCPPARHBKAC-NSHDSACASA-N 1 0 215.300 2.178 40 0 BEABRO C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072207662 384199225 /nfs/dbraw/zinc/19/92/25/384199225.db2.gz XAMKXROYRZILBP-QWRGUYRKSA-N 1 0 242.363 2.384 40 0 BEABRO C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000072207678 384200326 /nfs/dbraw/zinc/20/03/26/384200326.db2.gz PRWFSZXEPFDTEG-WDEREUQCSA-N 1 0 242.363 2.241 40 0 BEABRO Cc1nccn1-c1cccc([C@H]2CCC[NH2+]C2)n1 ZINC000072344158 384208793 /nfs/dbraw/zinc/20/87/93/384208793.db2.gz IWAXLLIJRVKGKT-LBPRGKRZSA-N 1 0 242.326 2.043 40 0 BEABRO Cc1cc(C)nc([C@@H]2CCCCN2C)n1 ZINC000072356854 384209822 /nfs/dbraw/zinc/20/98/22/384209822.db2.gz XLMJHFOBLSRECE-NSHDSACASA-N 1 0 205.305 2.250 40 0 BEABRO Cc1cc(C)nc([C@H]2CCCCN2C)n1 ZINC000072356855 384210592 /nfs/dbraw/zinc/21/05/92/384210592.db2.gz XLMJHFOBLSRECE-LLVKDONJSA-N 1 0 205.305 2.250 40 0 BEABRO c1cnc(CC2CC[NH+](CC3CC3)CC2)nc1 ZINC000072350813 384211898 /nfs/dbraw/zinc/21/18/98/384211898.db2.gz FANIFEDMABXYAJ-UHFFFAOYSA-N 1 0 231.343 2.141 40 0 BEABRO CCCC[NH2+]Cc1cc(OC)c(O)c(OC)c1 ZINC000013651563 384253479 /nfs/dbraw/zinc/25/34/79/384253479.db2.gz JCTCMVJBWUPTGE-UHFFFAOYSA-N 1 0 239.315 2.299 40 0 BEABRO [NH3+]Cc1cncn1Cc1ccc(Cl)cc1 ZINC000075150301 384261707 /nfs/dbraw/zinc/26/17/07/384261707.db2.gz UXCCZALVHLESAL-UHFFFAOYSA-N 1 0 221.691 2.044 40 0 BEABRO CCc1ccc[n+](-c2ccncc2CC)c1 ZINC000013213246 384349165 /nfs/dbraw/zinc/34/91/65/384349165.db2.gz CEFQHXJVCNICCU-UHFFFAOYSA-N 1 0 213.304 2.483 40 0 BEABRO Clc1ccc2c(c1)[nH]c1c2CC[NH2+]C1 ZINC000059791881 384350748 /nfs/dbraw/zinc/35/07/48/384350748.db2.gz HNADPKXQWMJDSH-UHFFFAOYSA-N 1 0 206.676 2.467 40 0 BEABRO Cc1ccc([C@@H]2C[NH2+]C[C@H]2c2csnn2)cc1 ZINC000014000607 384381984 /nfs/dbraw/zinc/38/19/84/384381984.db2.gz FWDPRNKPKUGOPA-NWDGAFQWSA-N 1 0 245.351 2.317 40 0 BEABRO CCCC[NH2+]C[C@H](C)C(=O)OC(C)(C)C ZINC000047219035 384446495 /nfs/dbraw/zinc/44/64/95/384446495.db2.gz CDILYGCJJBFUQC-JTQLQIEISA-N 1 0 215.337 2.354 40 0 BEABRO c1csc(C[NH+]2CCC3(COC3)CC2)c1 ZINC000096078153 384434488 /nfs/dbraw/zinc/43/44/88/384434488.db2.gz CXSNAGJPJWBGEF-UHFFFAOYSA-N 1 0 223.341 2.361 40 0 BEABRO [NH3+]CCc1ccc(C(F)(F)F)cc1F ZINC000044249447 384437043 /nfs/dbraw/zinc/43/70/43/384437043.db2.gz ZERSTGLGQNKGSN-UHFFFAOYSA-N 1 0 207.170 2.346 40 0 BEABRO Cc1ccc(C(=O)NC2CC[NH+](C)CC2)c(C)c1 ZINC000047829169 384468387 /nfs/dbraw/zinc/46/83/87/384468387.db2.gz NXUJFZCBSCZILH-UHFFFAOYSA-N 1 0 246.354 2.127 40 0 BEABRO FC1(COCc2ccccc2)CC[NH2+]CC1 ZINC000097463391 384524629 /nfs/dbraw/zinc/52/46/29/384524629.db2.gz YJJZYVSAOZSNSN-UHFFFAOYSA-N 1 0 223.291 2.295 40 0 BEABRO C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(F)c2)C1 ZINC000082335692 384669176 /nfs/dbraw/zinc/66/91/76/384669176.db2.gz FZOPBHRKSYXATC-SNVBAGLBSA-N 1 0 236.290 2.106 40 0 BEABRO CC[C@@H](C(=O)N1CC[NH2+]C[C@H]1C)c1ccccc1 ZINC000054369894 384836322 /nfs/dbraw/zinc/83/63/22/384836322.db2.gz OSAXFPZZSDMGBO-TZMCWYRMSA-N 1 0 246.354 2.001 40 0 BEABRO CCO[C@H](C[NH2+]C)c1ccc(OC)cc1OC ZINC000062711557 384851498 /nfs/dbraw/zinc/85/14/98/384851498.db2.gz JFZXLCWIVCZRQV-CYBMUJFWSA-N 1 0 239.315 2.001 40 0 BEABRO CCO[C@H](C[NH2+]C)c1ccc(OC)c(OC)c1 ZINC000062711561 384857834 /nfs/dbraw/zinc/85/78/34/384857834.db2.gz LLUAIAPDXRPAHH-CYBMUJFWSA-N 1 0 239.315 2.001 40 0 BEABRO CCc1ccccc1C[N@@H+]1CCC[C@H](O)C1 ZINC000038539492 384866934 /nfs/dbraw/zinc/86/69/34/384866934.db2.gz WWNBECQYYGDTBG-AWEZNQCLSA-N 1 0 219.328 2.206 40 0 BEABRO [NH3+][C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000127872691 384956881 /nfs/dbraw/zinc/95/68/81/384956881.db2.gz HPLZQVPAYLSJEZ-WDEREUQCSA-N 1 0 238.128 2.364 40 0 BEABRO [NH3+]Cc1csc(-c2cnn(CC3CCC3)c2)n1 ZINC000095093943 384907479 /nfs/dbraw/zinc/90/74/79/384907479.db2.gz SUFAPQJAHXZGRV-UHFFFAOYSA-N 1 0 248.355 2.265 40 0 BEABRO c1ccc([C@H]2C[C@H]2C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000071477102 384916019 /nfs/dbraw/zinc/91/60/19/384916019.db2.gz KJWVAYDVQDFQKH-LSDHHAIUSA-N 1 0 230.355 2.085 40 0 BEABRO FC(F)(F)Oc1ccc(C2C[NH2+]C2)cc1 ZINC000096028876 384923858 /nfs/dbraw/zinc/92/38/58/384923858.db2.gz HJFMIPQDILWZBD-UHFFFAOYSA-N 1 0 217.190 2.272 40 0 BEABRO Cc1c[nH+]c(N2C[C@H](C)C[C@@H](C)C2)c(N)c1 ZINC000085425128 384944717 /nfs/dbraw/zinc/94/47/17/384944717.db2.gz KVKOJSQHWRZHQZ-GHMZBOCLSA-N 1 0 219.332 2.455 40 0 BEABRO [NH3+][C@H]1CC[C@H](N2Cc3c(cccc3F)C2=O)CC1 ZINC000255190735 385008287 /nfs/dbraw/zinc/00/82/87/385008287.db2.gz ZCJCMWFBXQXBSJ-MGCOHNPYSA-N 1 0 248.301 2.051 40 0 BEABRO CCC[N@@H+]1CCC[C@H]1c1ccc[nH]c1=O ZINC000072212308 385074824 /nfs/dbraw/zinc/07/48/24/385074824.db2.gz HJUXTPOYTZAHRF-NSHDSACASA-N 1 0 206.289 2.334 40 0 BEABRO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(N)nc1 ZINC000072212366 385074888 /nfs/dbraw/zinc/07/48/88/385074888.db2.gz VLAGACIWOOGJBS-LBPRGKRZSA-N 1 0 219.332 2.457 40 0 BEABRO CC(C)[N@@H+]1CCC[C@H]1c1ccc[nH]c1=O ZINC000072212306 385076865 /nfs/dbraw/zinc/07/68/65/385076865.db2.gz JSIOOQLHXJQQKO-NSHDSACASA-N 1 0 206.289 2.333 40 0 BEABRO CC[N@@H+]1CCC[C@H]1c1cccnc1N(C)C ZINC000072212648 385079585 /nfs/dbraw/zinc/07/95/85/385079585.db2.gz PKMRIPPCDMBKPJ-LBPRGKRZSA-N 1 0 219.332 2.304 40 0 BEABRO CCN(CC)c1ccc([C@H]2CCC[NH2+]2)cn1 ZINC000072212819 385079718 /nfs/dbraw/zinc/07/97/18/385079718.db2.gz YGBUMWZHUNMUKP-GFCCVEGCSA-N 1 0 219.332 2.352 40 0 BEABRO CCN(C)c1ccc([C@H]2CCC[N@@H+]2C)cn1 ZINC000072212702 385080707 /nfs/dbraw/zinc/08/07/07/385080707.db2.gz DDVYMRYEYLAUOR-GFCCVEGCSA-N 1 0 219.332 2.304 40 0 BEABRO Cc1cc(N2CCCC2)ncc1[C@@H](C)O ZINC000072223473 385112898 /nfs/dbraw/zinc/11/28/98/385112898.db2.gz NBMDPWBCLDRSQW-SNVBAGLBSA-N 1 0 206.289 2.044 40 0 BEABRO C[NH2+]Cc1cnc(NC(C)(C)C)cc1C ZINC000072223983 385115777 /nfs/dbraw/zinc/11/57/77/385115777.db2.gz IVNPWLKFAUWQKO-UHFFFAOYSA-N 1 0 207.321 2.320 40 0 BEABRO Cc1nc(Br)ccc1[C@H](C)[NH3+] ZINC000072224003 385115894 /nfs/dbraw/zinc/11/58/94/385115894.db2.gz YKJIOGFWVDKVEV-YFKPBYRVSA-N 1 0 215.094 2.172 40 0 BEABRO [NH3+]C[C@@H](O)c1ccc(Oc2ccccc2)cc1 ZINC000032015749 385121241 /nfs/dbraw/zinc/12/12/41/385121241.db2.gz UADSXSNKALEKAM-CQSZACIVSA-N 1 0 229.279 2.471 40 0 BEABRO Cc1nc(N(C)C)ccc1[C@@H]1CCC[N@@H+]1C ZINC000072218725 385102899 /nfs/dbraw/zinc/10/28/99/385102899.db2.gz SJPGJTJUEQWKSO-LBPRGKRZSA-N 1 0 219.332 2.223 40 0 BEABRO COc1cccc(OC)c1[C@H]1CCC[N@@H+]1C ZINC000072221405 385106976 /nfs/dbraw/zinc/10/69/76/385106976.db2.gz USACXLUEJHRHBS-SNVBAGLBSA-N 1 0 221.300 2.471 40 0 BEABRO Cc1ccccc1N1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000011632598 385170928 /nfs/dbraw/zinc/17/09/28/385170928.db2.gz NDHVNJMTOCZUEU-RYUDHWBXSA-N 1 0 204.317 2.182 40 0 BEABRO [NH3+][C@@H]1CCN(Cc2cc(F)ccc2Cl)C1 ZINC000096523494 385268410 /nfs/dbraw/zinc/26/84/10/385268410.db2.gz JBZRJLBAMFLCAH-SNVBAGLBSA-N 1 0 228.698 2.012 40 0 BEABRO CCCCN(Cc1ccco1)C[C@H](C)[NH3+] ZINC000096523895 385272179 /nfs/dbraw/zinc/27/21/79/385272179.db2.gz UVMJFMOOCSKQQI-NSHDSACASA-N 1 0 210.321 2.229 40 0 BEABRO CCc1ccc(-c2ccnn2CC[NH3+])cc1 ZINC000096527679 385272517 /nfs/dbraw/zinc/27/25/17/385272517.db2.gz XYJXXCHCNCTVER-UHFFFAOYSA-N 1 0 215.300 2.071 40 0 BEABRO COc1ccc([C@H](C)O[C@@H]2CC[NH2+]C2)cc1 ZINC000096529874 385284598 /nfs/dbraw/zinc/28/45/98/385284598.db2.gz LZEIWEBVEJSGNL-GXFFZTMASA-N 1 0 221.300 2.135 40 0 BEABRO CC[C@H]1[NH2+][C@@H]1CCOCc1ccccc1 ZINC000169804291 385421233 /nfs/dbraw/zinc/42/12/33/385421233.db2.gz XYJHFZOMTQYRAI-CHWSQXEVSA-N 1 0 205.301 2.344 40 0 BEABRO [NH3+]C[C@H](CO)Cc1ccc(Cl)cc1Cl ZINC000062711355 385688917 /nfs/dbraw/zinc/68/89/17/385688917.db2.gz RMAMWSSMTRIQPG-SSDOTTSWSA-N 1 0 234.126 2.103 40 0 BEABRO CCO[C@H](C[NH2+]C)c1ccc(F)cc1F ZINC000062711583 385689168 /nfs/dbraw/zinc/68/91/68/385689168.db2.gz XFCCYKQPKARBEV-LLVKDONJSA-N 1 0 215.243 2.262 40 0 BEABRO c1csc(-c2noc([C@@H]3CCC[NH2+]3)n2)c1 ZINC000021798108 385705888 /nfs/dbraw/zinc/70/58/88/385705888.db2.gz KHEDIBFMQAAMSB-ZETCQYMHSA-N 1 0 221.285 2.223 40 0 BEABRO Cc1cn(C)c([C@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000257217746 385752793 /nfs/dbraw/zinc/75/27/93/385752793.db2.gz DAKDCPADMDIFSH-CYBMUJFWSA-N 1 0 249.358 2.044 40 0 BEABRO Cc1cc(-c2cccc([C@@H]3CCC[NH2+]3)n2)n[nH]1 ZINC000257242626 385755341 /nfs/dbraw/zinc/75/53/41/385755341.db2.gz IDJRLVZYZUHQFB-JTQLQIEISA-N 1 0 228.299 2.205 40 0 BEABRO c1ccc([C@H]2CCC[N@@H+]2C2CCOCC2)nc1 ZINC000257229163 385755454 /nfs/dbraw/zinc/75/54/54/385755454.db2.gz FWXTYTRXDOOXHX-CQSZACIVSA-N 1 0 232.327 2.398 40 0 BEABRO Cc1noc(C)c1-c1cncc([C@H]2CCC[NH2+]2)n1 ZINC000257264652 385757545 /nfs/dbraw/zinc/75/75/45/385757545.db2.gz LVLFIALBBHLRND-SNVBAGLBSA-N 1 0 244.298 2.173 40 0 BEABRO Cc1c[nH]nc1[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000257285593 385760899 /nfs/dbraw/zinc/76/08/99/385760899.db2.gz PHXDIUUSIMURLF-LLVKDONJSA-N 1 0 219.332 2.450 40 0 BEABRO C[C@@H](N[C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000218886611 385911674 /nfs/dbraw/zinc/91/16/74/385911674.db2.gz VJNYIIHZUKMQSU-WXHSDQCUSA-N 1 0 204.317 2.217 40 0 BEABRO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000096478621 385966735 /nfs/dbraw/zinc/96/67/35/385966735.db2.gz UDXPMZQHAYZHAC-VWYCJHECSA-N 1 0 215.362 2.039 40 0 BEABRO COCCn1cccc1C[NH+]1CCCCC1 ZINC000225309387 386184787 /nfs/dbraw/zinc/18/47/87/386184787.db2.gz OQRCVZLTKMBCJS-UHFFFAOYSA-N 1 0 222.332 2.120 40 0 BEABRO C[NH2+][C@@H](CO)c1ccc(Cl)cc1Cl ZINC000038121311 386124673 /nfs/dbraw/zinc/12/46/73/386124673.db2.gz QPRVUKNTILVPGC-VIFPVBQESA-N 1 0 220.099 2.246 40 0 BEABRO C[NH2+][C@H](CO)c1cc(Cl)cc(Cl)c1 ZINC000038121389 386125341 /nfs/dbraw/zinc/12/53/41/386125341.db2.gz LOBORLFPAAYCBR-SECBINFHSA-N 1 0 220.099 2.246 40 0 BEABRO [NH3+][C@H]1CCC[C@H]1Nc1ccc(F)c(F)c1 ZINC000218884977 386510935 /nfs/dbraw/zinc/51/09/35/386510935.db2.gz SGLYJMFKFVWGQM-WDEREUQCSA-N 1 0 212.243 2.257 40 0 BEABRO [NH3+]C[C@@H](Cc1nc2ccccc2[nH]1)C(F)(F)F ZINC000575422721 387037144 /nfs/dbraw/zinc/03/71/44/387037144.db2.gz CFUNMTJZYVVVAV-SSDOTTSWSA-N 1 0 243.232 2.243 40 0 BEABRO [NH3+]CCNc1ccc2c3c(cccc31)CC2 ZINC000575423227 387039435 /nfs/dbraw/zinc/03/94/35/387039435.db2.gz LIUCVUKUGXMHRZ-UHFFFAOYSA-N 1 0 212.296 2.309 40 0 BEABRO Nc1[nH+]ccn1-c1cccc(Br)c1 ZINC000096029477 387014974 /nfs/dbraw/zinc/01/49/74/387014974.db2.gz UROBPZYRIWTYLX-UHFFFAOYSA-N 1 0 238.088 2.217 40 0 BEABRO Cc1ccc(C[N@@H+]2CCCC[C@@H]2CO)cc1 ZINC000049751258 387022779 /nfs/dbraw/zinc/02/27/79/387022779.db2.gz RUCUIOODARESCC-CQSZACIVSA-N 1 0 219.328 2.342 40 0 BEABRO C[C@@H]1[NH+]=C(N2CCCC2)Nc2ccccc21 ZINC000005723602 387580777 /nfs/dbraw/zinc/58/07/77/387580777.db2.gz OVUCRTJZBVDRRC-JTQLQIEISA-N 1 0 215.300 2.434 40 0 BEABRO Cc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)o1 ZINC000072324415 387648900 /nfs/dbraw/zinc/64/89/00/387648900.db2.gz UYQGLBTWCVURPF-AAEUAGOBSA-N 1 0 234.343 2.257 40 0 BEABRO CCCCCC[NH2+]Cc1cc(C)nn1C ZINC000084244642 387855531 /nfs/dbraw/zinc/85/55/31/387855531.db2.gz UZOYUYXDWPJSRI-UHFFFAOYSA-N 1 0 209.337 2.398 40 0 BEABRO CN[C@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000050269995 387955269 /nfs/dbraw/zinc/95/52/69/387955269.db2.gz IATAHNRFLYIWSF-SECBINFHSA-N 1 0 219.115 2.213 40 0 BEABRO CN[C@@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000050269854 387955434 /nfs/dbraw/zinc/95/54/34/387955434.db2.gz ZNSDEAVRHBLAGK-VIFPVBQESA-N 1 0 219.115 2.213 40 0 BEABRO COc1cc2c(cc1Br)CC[C@H]2[NH3+] ZINC000238398612 388019786 /nfs/dbraw/zinc/01/97/86/388019786.db2.gz PREAMTQTMHPVCF-SECBINFHSA-N 1 0 242.116 2.404 40 0 BEABRO [NH3+]CC[C@@H]1CCCc2c1ncn2CC1CC1 ZINC000217783620 388381869 /nfs/dbraw/zinc/38/18/69/388381869.db2.gz YRBSJIYCBZJFBO-NSHDSACASA-N 1 0 219.332 2.062 40 0 BEABRO [NH3+][C@H]1C[C@@]12CCOc1ccc(Cl)cc12 ZINC000218686042 388391255 /nfs/dbraw/zinc/39/12/55/388391255.db2.gz LVIJXJAIZQYJOP-WDEREUQCSA-N 1 0 209.676 2.091 40 0 BEABRO COc1ccc(CN2CC[NH2+][C@@H]3CCC[C@H]32)cc1 ZINC000218841526 256852351 /nfs/dbraw/zinc/85/23/51/256852351.db2.gz PUTBBWFXENCFPK-HUUCEWRRSA-N 1 0 246.354 2.022 40 0 BEABRO Fc1ccc(N2CC[NH2+][C@@H]3CCC[C@H]32)cc1F ZINC000218848976 256852615 /nfs/dbraw/zinc/85/26/15/256852615.db2.gz APKZMGFTMSSXLC-CHWSQXEVSA-N 1 0 238.281 2.296 40 0 BEABRO FC(F)(F)c1cccc(C[C@H]2C[NH2+]CCO2)c1 ZINC000035837693 388611645 /nfs/dbraw/zinc/61/16/45/388611645.db2.gz VKNXFHCIEDAJGJ-NSHDSACASA-N 1 0 245.244 2.236 40 0 BEABRO CCN(CC)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000038808975 388612373 /nfs/dbraw/zinc/61/23/73/388612373.db2.gz APQKMJFBSXTSDZ-GFCCVEGCSA-N 1 0 210.296 2.167 40 0 BEABRO c1ccc2c(c1)nnn2C[NH+]1CCCCCC1 ZINC000000243970 388577198 /nfs/dbraw/zinc/57/71/98/388577198.db2.gz CYJFVRRBTAKEIV-UHFFFAOYSA-N 1 0 230.315 2.265 40 0 BEABRO CC(C)[C@H]([NH3+])CN1CC[C@@H]2CCCC[C@H]2C1 ZINC000252470050 388652337 /nfs/dbraw/zinc/65/23/37/388652337.db2.gz SNFUJVJQOTZTSH-MELADBBJSA-N 1 0 224.392 2.482 40 0 BEABRO c1ccc(C[C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)nc1 ZINC000257215020 388698559 /nfs/dbraw/zinc/69/85/59/388698559.db2.gz COINWAKGAYKNDC-YRGRVCCFSA-N 1 0 216.328 2.260 40 0 BEABRO CC[NH2+]CCO[C@H]1CC[C@@]12CCC21CC1 ZINC000242437346 388721350 /nfs/dbraw/zinc/72/13/50/388721350.db2.gz BZVWUBCXQPNHJR-WCQYABFASA-N 1 0 209.333 2.335 40 0 BEABRO C[C@@H]([NH3+])c1nc(-c2ccccc2Cl)n[nH]1 ZINC000082510282 388727191 /nfs/dbraw/zinc/72/71/91/388727191.db2.gz XECPOLZEYCMZPJ-ZCFIWIBFSA-N 1 0 222.679 2.145 40 0 BEABRO [NH3+]C[C@H]1CCCCN1Cc1c(F)cccc1F ZINC000096319956 388816426 /nfs/dbraw/zinc/81/64/26/388816426.db2.gz UAZRGPUASWFGAT-SNVBAGLBSA-N 1 0 240.297 2.278 40 0 BEABRO C1C[C@H]2NCC[N@@H+](C3CCCCC3)[C@H]2C1 ZINC000242495519 388817408 /nfs/dbraw/zinc/81/74/08/388817408.db2.gz GHGZLQZVXKLYNC-OLZOCXBDSA-N 1 0 208.349 2.145 40 0 BEABRO c1ccc(CN2CC[NH2+][C@H]3CCC[C@@H]32)cc1 ZINC000225716100 388840346 /nfs/dbraw/zinc/84/03/46/388840346.db2.gz OMWCMAVXTQXEHA-KBPBESRZSA-N 1 0 216.328 2.013 40 0 BEABRO Cc1cc(F)ccc1N1CC[NH2+][C@@H]2CCC[C@@H]21 ZINC000225717406 388841111 /nfs/dbraw/zinc/84/11/11/388841111.db2.gz PDPKXEVVDGTIIZ-OCCSQVGLSA-N 1 0 234.318 2.465 40 0 BEABRO c1ccc(CN2CC[NH2+][C@@H]3CCC[C@@H]32)cc1 ZINC000225716073 388841243 /nfs/dbraw/zinc/84/12/43/388841243.db2.gz OMWCMAVXTQXEHA-KGLIPLIRSA-N 1 0 216.328 2.013 40 0 BEABRO Fc1ccc(N2CC[NH2+][C@@H]3CCC[C@H]32)cc1 ZINC000218844471 132290940 /nfs/dbraw/zinc/29/09/40/132290940.db2.gz SILOSBBKHXSDGL-CHWSQXEVSA-N 1 0 220.291 2.156 40 0 BEABRO Cc1ccc(N2CC[NH2+][C@H]3CCC[C@H]32)cc1 ZINC000218844004 132290942 /nfs/dbraw/zinc/29/09/42/132290942.db2.gz JFPBLLFPDFWWMS-UONOGXRCSA-N 1 0 216.328 2.326 40 0 BEABRO c1ccc(N2CC[NH2+][C@H]3CCCC[C@H]32)cc1 ZINC000218831644 132291054 /nfs/dbraw/zinc/29/10/54/132291054.db2.gz DWNQWSQAKMLZFG-UONOGXRCSA-N 1 0 216.328 2.407 40 0 BEABRO C[NH+]1CCN(c2ccccc2-n2cccc2)CC1 ZINC000226245454 132291214 /nfs/dbraw/zinc/29/12/14/132291214.db2.gz SHBUPPYLFKQODN-UHFFFAOYSA-N 1 0 241.338 2.229 40 0 BEABRO Cc1cc(N2CC[NH2+]CC2)c2cccc(F)c2n1 ZINC000032500257 132295153 /nfs/dbraw/zinc/29/51/53/132295153.db2.gz GDPUUBORBRJEPM-UHFFFAOYSA-N 1 0 245.301 2.092 40 0 BEABRO Cc1cc(C)c(N2CC[NH2+]CC2)c(C)c1 ZINC000011632566 132320015 /nfs/dbraw/zinc/32/00/15/132320015.db2.gz JGBQQUPVGSNEPI-UHFFFAOYSA-N 1 0 204.317 2.021 40 0 BEABRO CCN(CC)c1ccc([C@@H]2C[C@@H]2[NH3+])cc1 ZINC000062494915 398046229 /nfs/dbraw/zinc/04/62/29/398046229.db2.gz GVMVJVUMXASALG-STQMWFEESA-N 1 0 204.317 2.347 40 0 BEABRO CCN(CC)c1ccc([C@H]2C[C@H]2[NH3+])cc1 ZINC000062494918 398046402 /nfs/dbraw/zinc/04/64/02/398046402.db2.gz GVMVJVUMXASALG-CHWSQXEVSA-N 1 0 204.317 2.347 40 0 BEABRO FCCn1ccc(C[NH2+]CCc2ccccc2)n1 ZINC000256049753 398040836 /nfs/dbraw/zinc/04/08/36/398040836.db2.gz BGZZMZXMWMDGGS-UHFFFAOYSA-N 1 0 247.317 2.185 40 0 BEABRO COc1ccc(OC)c([C@@H]2C[C@@H]2[C@@H](C)[NH3+])c1 ZINC000020594414 398043939 /nfs/dbraw/zinc/04/39/39/398043939.db2.gz DPZMVJPIWKFHMT-FBIMIBRVSA-N 1 0 221.300 2.155 40 0 BEABRO Brc1ccc2c(c1)OC[C@]21CC[NH2+]1 ZINC000306145650 166099558 /nfs/dbraw/zinc/09/95/58/166099558.db2.gz LXBNDDHFSOLTJL-SNVBAGLBSA-N 1 0 240.100 2.030 40 0 BEABRO CC(C)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000001646509 166712635 /nfs/dbraw/zinc/71/26/35/166712635.db2.gz CPNXMFYKYKYWHF-UHFFFAOYSA-N 1 0 240.391 2.415 40 0 BEABRO CC(C)C[NH2+][C@@H]1c2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC000096157376 167011204 /nfs/dbraw/zinc/01/12/04/167011204.db2.gz VFTINDXPLPKLQE-SOUVJXGZSA-N 1 0 230.355 2.290 40 0 BEABRO CC(C)[N@@H+]1CCc2cc3c(cc2C1)OCO3 ZINC000001704003 167027282 /nfs/dbraw/zinc/02/72/82/167027282.db2.gz ZROVRFKCUNXEBM-UHFFFAOYSA-N 1 0 219.284 2.182 40 0 BEABRO CC(C)n1nccc1C[NH2+]Cc1cccc(O)c1 ZINC000256054206 167793907 /nfs/dbraw/zinc/79/39/07/167793907.db2.gz VKNBXSFFPKFPFN-UHFFFAOYSA-N 1 0 245.326 2.459 40 0 BEABRO CC[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000053648445 170120119 /nfs/dbraw/zinc/12/01/19/170120119.db2.gz WNUBSXWDQOHEEU-AWEZNQCLSA-N 1 0 218.344 2.261 40 0 BEABRO CC[NH2+]Cc1cc(C)n(CCCOC)c1C ZINC000223660796 170124971 /nfs/dbraw/zinc/12/49/71/170124971.db2.gz WPIRAYAMUHEULR-UHFFFAOYSA-N 1 0 224.348 2.251 40 0 BEABRO CC[NH2+][C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC000238264125 170168849 /nfs/dbraw/zinc/16/88/49/170168849.db2.gz CENLFVKCFRNZIL-XYPYZODXSA-N 1 0 242.363 2.432 40 0 BEABRO CCOC(=O)CC[N@@H+]1CCCC[C@@H]1CC ZINC000037022150 170206399 /nfs/dbraw/zinc/20/63/99/170206399.db2.gz SJHABLQGMCNJEF-NSHDSACASA-N 1 0 213.321 2.204 40 0 BEABRO CCOC(=O)CC[NH2+]C1CCCCCC1 ZINC000036667834 170209017 /nfs/dbraw/zinc/20/90/17/170209017.db2.gz VMADHJWOTARVIJ-UHFFFAOYSA-N 1 0 213.321 2.252 40 0 BEABRO CCOC(=O)[C@@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC000082299878 170259185 /nfs/dbraw/zinc/25/91/85/170259185.db2.gz VRIDQIGLSYHFCH-CHWSQXEVSA-N 1 0 233.311 2.290 40 0 BEABRO CCOC(=O)[C@]12CCCC[C@H]1[NH2+]CC=CC2 ZINC000019530257 170263616 /nfs/dbraw/zinc/26/36/16/170263616.db2.gz UYJXSESXJSHLID-YPMHNXCESA-N 1 0 223.316 2.028 40 0 BEABRO CC[C@@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000019726107 170822610 /nfs/dbraw/zinc/82/26/10/170822610.db2.gz NQGJJYCJKYLBSM-VIFPVBQESA-N 1 0 209.289 2.156 40 0 BEABRO CC[C@H](C(=O)N1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000067800412 171223544 /nfs/dbraw/zinc/22/35/44/171223544.db2.gz MORJXNXBCOPEET-OCCSQVGLSA-N 1 0 246.354 2.001 40 0 BEABRO CC[C@H]1[NH2+][C@H]1CCOCc1ccccc1 ZINC000169804294 171682643 /nfs/dbraw/zinc/68/26/43/171682643.db2.gz XYJHFZOMTQYRAI-OLZOCXBDSA-N 1 0 205.301 2.344 40 0 BEABRO CCn1c(C[NH3+])ccc1Cc1ccco1 ZINC000226021472 172144203 /nfs/dbraw/zinc/14/42/03/172144203.db2.gz STQJKBBDOBNLPW-UHFFFAOYSA-N 1 0 204.273 2.151 40 0 BEABRO CCn1c2cc(C)c(C)cc2nc1C[NH3+] ZINC000019750921 172144527 /nfs/dbraw/zinc/14/45/27/172144527.db2.gz HXDJYZKLXUFHRX-UHFFFAOYSA-N 1 0 203.289 2.132 40 0 BEABRO CCn1cc(C[NH2+]Cc2cccc(O)c2)c(C)n1 ZINC000020352534 172172280 /nfs/dbraw/zinc/17/22/80/172172280.db2.gz UQODPNDKUGCMIE-UHFFFAOYSA-N 1 0 245.326 2.207 40 0 BEABRO CCn1nccc1C[NH2+]Cc1ccc(OC)cc1 ZINC000002536114 172270691 /nfs/dbraw/zinc/27/06/91/172270691.db2.gz QEQYJBANWXWLAI-UHFFFAOYSA-N 1 0 245.326 2.201 40 0 BEABRO C[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000004777749 173009025 /nfs/dbraw/zinc/00/90/25/173009025.db2.gz JGAYLCZXGQAXQC-QWHCGFSZSA-N 1 0 205.301 2.204 40 0 biogenic,in-vitro BEABRO C[N@@H+]1CCC[C@H](Cc2ccc(Cl)nn2)CC1 ZINC000072343828 173042803 /nfs/dbraw/zinc/04/28/03/173042803.db2.gz OLGMPPNIMUBFLS-JTQLQIEISA-N 1 0 239.750 2.404 40 0 BEABRO C[NH2+]C[C@@H](OC)c1ccc(Br)cc1 ZINC000050482335 173366361 /nfs/dbraw/zinc/36/63/61/173366361.db2.gz UPSHRIZBKNNJIY-SNVBAGLBSA-N 1 0 244.132 2.356 40 0 BEABRO C[NH2+]C[C@@H](OC(C)C)c1ccccc1OC ZINC000050483696 173366514 /nfs/dbraw/zinc/36/65/14/173366514.db2.gz NIGQRCNLDIYZPL-CYBMUJFWSA-N 1 0 223.316 2.381 40 0 BEABRO C[NH2+]C[C@@H]1C[C@@H]1c1cc(OC)ccc1OC ZINC000054588801 173371483 /nfs/dbraw/zinc/37/14/83/173371483.db2.gz PJAWTBPNBFIOAB-ONGXEEELSA-N 1 0 221.300 2.027 40 0 BEABRO C[NH2+]C[C@@H]1C[C@H]1c1cc(OC)ccc1OC ZINC000054588805 173372629 /nfs/dbraw/zinc/37/26/29/173372629.db2.gz PJAWTBPNBFIOAB-GXSJLCMTSA-N 1 0 221.300 2.027 40 0 BEABRO C[NH2+]C[C@H]1C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000054588496 173382409 /nfs/dbraw/zinc/38/24/09/173382409.db2.gz VCUMKLYDJBVZEY-GHMZBOCLSA-N 1 0 221.300 2.027 40 0 BEABRO C[NH2+]Cc1ccccc1OCC(F)F ZINC000037755464 173390256 /nfs/dbraw/zinc/39/02/56/173390256.db2.gz BJVXOTKZXPXADE-UHFFFAOYSA-N 1 0 201.216 2.050 40 0 BEABRO C[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000034658474 173390841 /nfs/dbraw/zinc/39/08/41/173390841.db2.gz PWKDRZKKTFUCFE-UHFFFAOYSA-N 1 0 219.206 2.347 40 0 BEABRO C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072207663 173447420 /nfs/dbraw/zinc/44/74/20/173447420.db2.gz XAMKXROYRZILBP-MNOVXSKESA-N 1 0 242.363 2.384 40 0 BEABRO C[NH2+][C@H]1CCCC[C@H]1N(C)C(=O)OC(C)(C)C ZINC000079437577 173460697 /nfs/dbraw/zinc/46/06/97/173460697.db2.gz SSLOSKCKBZUWFU-WDEREUQCSA-N 1 0 242.363 2.384 40 0 BEABRO COCCC[NH2+]Cc1ccc(CC(C)C)[nH]1 ZINC000226019871 174248179 /nfs/dbraw/zinc/24/81/79/174248179.db2.gz AIILVZFEFAMXCR-UHFFFAOYSA-N 1 0 224.348 2.339 40 0 BEABRO COCC[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000072357062 174305930 /nfs/dbraw/zinc/30/59/30/174305930.db2.gz HSDVWVSEQUZCAP-NSHDSACASA-N 1 0 240.372 2.044 40 0 BEABRO COCC[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000032014678 174335385 /nfs/dbraw/zinc/33/53/85/174335385.db2.gz WDJOUPUSPRJXRV-UHFFFAOYSA-N 1 0 223.316 2.210 40 0 BEABRO COc1cc([C@@H](C)CC[NH3+])cc(OC)c1OC ZINC000076621365 175012793 /nfs/dbraw/zinc/01/27/93/175012793.db2.gz IGTXPMJALPZKGY-VIFPVBQESA-N 1 0 239.315 2.165 40 0 BEABRO COc1ccc(-c2ccc(C[NH3+])cn2)cc1 ZINC000083251473 175033355 /nfs/dbraw/zinc/03/33/55/175033355.db2.gz AXPYLLOUKKSDEZ-UHFFFAOYSA-N 1 0 214.268 2.216 40 0 BEABRO COc1ccc(-c2nnc([C@H]3CCC[NH2+]3)o2)cc1 ZINC000032102024 175042124 /nfs/dbraw/zinc/04/21/24/175042124.db2.gz PMPCTQYFOSUHRN-LLVKDONJSA-N 1 0 245.282 2.170 40 0 BEABRO COc1ccc(N[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000145191617 175154390 /nfs/dbraw/zinc/15/43/90/175154390.db2.gz DHUWBPYQXYJHQL-QWHCGFSZSA-N 1 0 220.316 2.377 40 0 BEABRO COc1ccc([C@@H](C[NH3+])OC(C)C)cc1 ZINC000042963195 175178183 /nfs/dbraw/zinc/17/81/83/175178183.db2.gz YPVZCFMFGCSBKK-GFCCVEGCSA-N 1 0 209.289 2.120 40 0 BEABRO COc1cccc(-c2nnc([C@H]([NH3+])C(C)C)[nH]2)c1 ZINC000095534715 175236903 /nfs/dbraw/zinc/23/69/03/175236903.db2.gz OLNUFAYRHMGQEW-LLVKDONJSA-N 1 0 246.314 2.136 40 0 BEABRO COc1cccc(CC2(C[NH3+])CCC2)c1 ZINC000083570253 175250636 /nfs/dbraw/zinc/25/06/36/175250636.db2.gz JARCZMOBWDYULN-UHFFFAOYSA-N 1 0 205.301 2.367 40 0 BEABRO COc1cccc(C[N@@H+]2CC[C@@]3(CCCO3)C2)c1 ZINC000096051027 175260604 /nfs/dbraw/zinc/26/06/04/175260604.db2.gz URFXVJJRVFWPJS-HNNXBMFYSA-N 1 0 247.338 2.450 40 0 BEABRO COc1ccccc1[C@@H](C[NH3+])OC(C)C ZINC000043099594 175345688 /nfs/dbraw/zinc/34/56/88/175345688.db2.gz OTFBILKLUKSVON-GFCCVEGCSA-N 1 0 209.289 2.120 40 0 BEABRO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCO ZINC000062016046 176017255 /nfs/dbraw/zinc/01/72/55/176017255.db2.gz AKQGXOAWWQTUCZ-VIFPVBQESA-N 1 0 213.708 2.325 40 0 BEABRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)C[C@H]1O ZINC000004697433 176306398 /nfs/dbraw/zinc/30/63/98/176306398.db2.gz LDTHAFXMNUJREZ-YRGRVCCFSA-N 1 0 219.328 2.278 40 0 BEABRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(F)c1 ZINC000019575140 176323235 /nfs/dbraw/zinc/32/32/35/176323235.db2.gz GETWVEJSRHTUMV-IUODEOHRSA-N 1 0 248.345 2.494 40 0 BEABRO C[C@@H]1C[NH2+]CCN1Cc1cccc(Cl)c1F ZINC000067800343 176327723 /nfs/dbraw/zinc/32/77/23/176327723.db2.gz GUJMTQIQOFQARJ-SECBINFHSA-N 1 0 242.725 2.273 40 0 BEABRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)OCc1ccccc1 ZINC000073657056 176372078 /nfs/dbraw/zinc/37/20/78/176372078.db2.gz VVCFYFUPEUQVNY-YPMHNXCESA-N 1 0 248.326 2.135 40 0 BEABRO C[C@@H]1[C@H]2C[C@H]([C@H](C[NH+](C)C)C2=O)C1(C)C ZINC000004361031 176504252 /nfs/dbraw/zinc/50/42/52/176504252.db2.gz IORDCIHONMRMKU-CHWFTXMASA-N 1 0 209.333 2.045 40 0 BEABRO C[C@H](O[C@H]1CC[NH2+]C1)c1cccc(F)c1 ZINC000096529858 177021837 /nfs/dbraw/zinc/02/18/37/177021837.db2.gz RNQHMAAQVMREMW-CABZTGNLSA-N 1 0 209.264 2.265 40 0 BEABRO C[C@@H]1CC(O)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC000040539457 177066090 /nfs/dbraw/zinc/06/60/90/177066090.db2.gz LDYXEQLMMZDMQB-ONXXMXGDSA-N 1 0 219.328 2.420 40 0 BEABRO C[C@H]1CCCC[C@]1(C[NH3+])NC(=O)OC(C)(C)C ZINC000096102473 177090199 /nfs/dbraw/zinc/09/01/99/177090199.db2.gz QNJPTRDSPLWFQA-GXFFZTMASA-N 1 0 242.363 2.419 40 0 BEABRO C[C@H]1CCC[N@@H+]1C[C@@H](CO)c1ccccc1 ZINC000016698211 177109352 /nfs/dbraw/zinc/10/93/52/177109352.db2.gz AYVQIOHOTIJXIA-JSGCOSHPSA-N 1 0 219.328 2.247 40 0 BEABRO C[C@H]1CCC[C@H](C)[NH+]1CCOC[C@@H]1CCCO1 ZINC000096421114 177131599 /nfs/dbraw/zinc/13/15/99/177131599.db2.gz BZKFNNNEUOGECC-IHRRRGAJSA-N 1 0 241.375 2.445 40 0 BEABRO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1C[NH3+] ZINC000261507409 177221889 /nfs/dbraw/zinc/22/18/89/177221889.db2.gz IDRNXYCTWDYUQX-QWRGUYRKSA-N 1 0 242.363 2.228 40 0 BEABRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccccc1F ZINC000019575786 177279885 /nfs/dbraw/zinc/27/98/85/177279885.db2.gz NZRKNMWYVXNMMZ-GXTWGEPZSA-N 1 0 248.345 2.494 40 0 BEABRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(F)c1 ZINC000019575776 177280816 /nfs/dbraw/zinc/28/08/16/177280816.db2.gz GETWVEJSRHTUMV-SWLSCSKDSA-N 1 0 248.345 2.494 40 0 BEABRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)C[C@H]1O ZINC000004697435 177338040 /nfs/dbraw/zinc/33/80/40/177338040.db2.gz LDTHAFXMNUJREZ-MBNYWOFBSA-N 1 0 219.328 2.278 40 0 BEABRO C[C@H]1C[C@@H]2CC[N@H+](Cc3ccncc3)C[C@H]2O1 ZINC000096070584 177352879 /nfs/dbraw/zinc/35/28/79/177352879.db2.gz WODREFHSOGYAAV-FPMFFAJLSA-N 1 0 232.327 2.081 40 0 BEABRO CC(C)Cn1cc([C@@H]2CCCC[NH2+]2)cn1 ZINC000225775430 519515274 /nfs/dbraw/zinc/51/52/74/519515274.db2.gz KYEMTMCELROSOM-LBPRGKRZSA-N 1 0 207.321 2.354 40 0 BEABRO CCOc1ccc(C[NH2+]Cc2ccnn2C)cc1 ZINC000070141152 521004453 /nfs/dbraw/zinc/00/44/53/521004453.db2.gz YATHONVIYNPILP-UHFFFAOYSA-N 1 0 245.326 2.109 40 0 BEABRO CCCc1ccc(C[NH2+]C[C@H]2CCCO2)[nH]1 ZINC000226020544 521396813 /nfs/dbraw/zinc/39/68/13/521396813.db2.gz ZSAWJAGTMIRBLS-CYBMUJFWSA-N 1 0 222.332 2.236 40 0 BEABRO CCCc1ccc(C[NH2+]C[C@@H]2CCCO2)[nH]1 ZINC000226020535 521398388 /nfs/dbraw/zinc/39/83/88/521398388.db2.gz ZSAWJAGTMIRBLS-ZDUSSCGKSA-N 1 0 222.332 2.236 40 0 BEABRO CCn1cc(C[NH2+]Cc2cccc(OC)c2)cn1 ZINC000002536068 523383164 /nfs/dbraw/zinc/38/31/64/523383164.db2.gz BCNLPIXYZBMEEI-UHFFFAOYSA-N 1 0 245.326 2.201 40 0 BEABRO Cc1ccc(Cl)c(CC(N)=[NH2+])c1F ZINC000228918120 524697675 /nfs/dbraw/zinc/69/76/75/524697675.db2.gz NFGZDBVDLSRPDN-UHFFFAOYSA-N 1 0 200.644 2.266 40 0 BEABRO C[C@@H]1O[C@@H]2C[C@H](C(F)(F)F)C[C@H]([NH3+])[C@@H]2[C@@H]1C ZINC000242463389 525603862 /nfs/dbraw/zinc/60/38/62/525603862.db2.gz CZVKMVVAGFXBBQ-VYMHUAPZSA-N 1 0 237.265 2.326 40 0 BEABRO CCNC(=[NH2+])Nc1nc(C)c2cc(C)ccc2n1 ZINC000408735183 535786244 /nfs/dbraw/zinc/78/62/44/535786244.db2.gz LGBZHLZEECGILN-UHFFFAOYSA-N 1 0 243.314 2.203 40 0 BEABRO C[NH2+]CC1CCC(OC(F)(F)F)CC1 ZINC000393663134 1166497836 /nfs/dbraw/zinc/49/78/36/1166497836.db2.gz ZFLMBOAIGUWHFT-UHFFFAOYSA-N 1 0 211.227 2.301 40 0 BEABRO CCC(CC)([NH2+]C)[C@@H](O)c1ccccc1 ZINC000005964836 168331616 /nfs/dbraw/zinc/33/16/16/168331616.db2.gz WHBFWLGMOIRXBA-LBPRGKRZSA-N 1 0 207.317 2.498 40 0 BEABRO Clc1ccc2c(c1)[C@H]1C[NH2+]CC[C@@H]1N2 ZINC000071484540 398153875 /nfs/dbraw/zinc/15/38/75/398153875.db2.gz CTRPRBJZXMYEJI-KOLCDFICSA-N 1 0 208.692 2.211 40 0 BEABRO CC[N@@H+]1CCC[C@H](c2nc(C)cc(NC)n2)C1 ZINC000072361102 343980047 /nfs/dbraw/zinc/98/00/47/343980047.db2.gz MGQWTALZDBSPBV-NSHDSACASA-N 1 0 234.347 2.026 40 0 BEABRO Cc1cc(C[C@H](C)[NH3+])nc2ccccc12 ZINC000082780277 178056970 /nfs/dbraw/zinc/05/69/70/178056970.db2.gz VPDRPPJJAAPPFR-JTQLQIEISA-N 1 0 200.285 2.433 40 0 BEABRO Cc1cc(F)ccc1N[C@H]1CCC[C@H]1[NH3+] ZINC000218882019 178090986 /nfs/dbraw/zinc/09/09/86/178090986.db2.gz HLUPJSZLMCWPKH-PWSUYJOCSA-N 1 0 208.280 2.426 40 0 BEABRO Cc1cc(O)cc(C)c1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000077293611 178199065 /nfs/dbraw/zinc/19/90/65/178199065.db2.gz PNGZGTQKSFXTPA-GFCCVEGCSA-N 1 0 248.326 2.090 40 0 in-vitro BEABRO Cc1ccc(-c2cnc(CC[NH3+])o2)cc1C ZINC000011587009 178329239 /nfs/dbraw/zinc/32/92/39/178329239.db2.gz YBKUKGCNQAYDTG-UHFFFAOYSA-N 1 0 216.284 2.460 40 0 BEABRO C[NH+](C)[C@@](C)(CO)c1ccccc1Cl ZINC000070453425 259313929 /nfs/dbraw/zinc/31/39/29/259313929.db2.gz FQFJAUZIIRJXNS-NSHDSACASA-N 1 0 213.708 2.109 40 0 BEABRO CCOC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000070824038 259314130 /nfs/dbraw/zinc/31/41/30/259314130.db2.gz LJVHNFLIHXPAAY-GFCCVEGCSA-N 1 0 221.300 2.243 40 0 BEABRO Cc1ccc(C(N)=[NH2+])cc1Br ZINC000075842730 178368131 /nfs/dbraw/zinc/36/81/31/178368131.db2.gz AESSQVPLSCJPIN-UHFFFAOYSA-N 1 0 213.078 2.042 40 0 BEABRO Cc1ccc(C(N)=[NH2+])cc1C(F)(F)F ZINC000199766513 178369065 /nfs/dbraw/zinc/36/90/65/178369065.db2.gz MLPWPNNVZXGISW-UHFFFAOYSA-N 1 0 202.179 2.298 40 0 BEABRO O=C(c1ccccc1)N1CC[NH2+][C@@H]2CCCC[C@@H]21 ZINC000072210177 259316444 /nfs/dbraw/zinc/31/64/44/259316444.db2.gz YKGRKMSDSHKIMV-KGLIPLIRSA-N 1 0 244.338 2.043 40 0 BEABRO Cn1c2ccccc2[n+](C)c1C(C)(C)C ZINC000000160394 342678258 /nfs/dbraw/zinc/67/82/58/342678258.db2.gz AEXNOUKIFXDDNT-UHFFFAOYSA-N 1 0 203.309 2.300 40 0 BEABRO Cc1csc(Cl)c1NC1=[NH+]CCN1 ZINC000000002646 342669534 /nfs/dbraw/zinc/66/95/34/342669534.db2.gz CVWILQHZFWRYPB-UHFFFAOYSA-N 1 0 215.709 2.081 40 0 world BEABRO COc1cc(NC(=O)CC[NH3+])cc2ccccc21 ZINC000000057200 342672119 /nfs/dbraw/zinc/67/21/19/342672119.db2.gz NUOJRXOHKAOEDJ-UHFFFAOYSA-N 1 0 244.294 2.136 40 0 BEABRO CO[C@@H]1C[C@H]2c3ccccc3[C@@H]1C(C)=[N+]2C ZINC000001564608 342703153 /nfs/dbraw/zinc/70/31/53/342703153.db2.gz IUNKJZBVWKZYJV-MJBXVCDLSA-N 1 0 216.304 2.347 40 0 BEABRO CC(=O)N[C@@H]1CCCC[C@@H]1C1CCC([NH3+])CC1 ZINC000001579181 342703976 /nfs/dbraw/zinc/70/39/76/342703976.db2.gz OVPICLNSCJKJLW-NWINJMCUSA-N 1 0 238.375 2.199 40 0 BEABRO C[C@@H](C[NH+](C)C)Oc1ccc2c(c1)C(=O)[C@H](C)C2 ZINC000001675079 342708329 /nfs/dbraw/zinc/70/83/29/342708329.db2.gz NWMZWVSNWLBQCA-MNOVXSKESA-N 1 0 247.338 2.390 40 0 BEABRO COc1cc(C)c([C@H]2CCC[N@@H+]2C)cn1 ZINC000072218002 259318450 /nfs/dbraw/zinc/31/84/50/259318450.db2.gz XYSUJOPFMVEKHG-LLVKDONJSA-N 1 0 206.289 2.165 40 0 BEABRO CSc1nn(C)c2cc(C)c3ccccc3[n+]12 ZINC000004822366 342752721 /nfs/dbraw/zinc/75/27/21/342752721.db2.gz XOYDEQSOCORENK-UHFFFAOYSA-N 1 0 244.343 2.342 40 0 BEABRO CCOc1ccc2ccccc2c1C[NH2+]CCO ZINC000008325093 342797853 /nfs/dbraw/zinc/79/78/53/342797853.db2.gz LPEMRUZJVBAZKJ-UHFFFAOYSA-N 1 0 245.322 2.320 40 0 BEABRO CC[C@](C)(C(=O)OC)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000035655767 342804547 /nfs/dbraw/zinc/80/45/47/342804547.db2.gz IMWNBBNBQVEZCR-GMXVVIOVSA-N 1 0 227.348 2.306 40 0 BEABRO COc1ccccc1NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000080993101 259323564 /nfs/dbraw/zinc/32/35/64/259323564.db2.gz XIAIINJVQDMPDU-GFCCVEGCSA-N 1 0 248.326 2.166 40 0 BEABRO CC(C)Cn1nc(C[NH3+])c2ccccc21 ZINC000070630838 259331505 /nfs/dbraw/zinc/33/15/05/259331505.db2.gz XQUQEZVQBUPGIX-UHFFFAOYSA-N 1 0 203.289 2.151 40 0 BEABRO CCN(CC)CC[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000019366869 342946944 /nfs/dbraw/zinc/94/69/44/342946944.db2.gz LDWNBSDGQACSSP-KBPBESRZSA-N 1 0 224.392 2.450 40 0 BEABRO CCCNc1ncccc1C1=[NH+]CCC1 ZINC000072213115 259332729 /nfs/dbraw/zinc/33/27/29/259332729.db2.gz LNUSDXAQYXOHQP-UHFFFAOYSA-N 1 0 203.289 2.486 40 0 BEABRO CC(C)N1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000019790000 342957885 /nfs/dbraw/zinc/95/78/85/342957885.db2.gz ZKNGMOFSLSZLST-MJBXVCDLSA-N 1 0 222.376 2.201 40 0 BEABRO Cc1c(C[NH2+]Cc2cccs2)cnn1C ZINC000020351187 342982673 /nfs/dbraw/zinc/98/26/73/342982673.db2.gz GZDXQBBGUHUBJJ-UHFFFAOYSA-N 1 0 221.329 2.080 40 0 BEABRO [NH3+][C@@H]1CCc2cccc(Br)c2C1 ZINC000022129859 343041055 /nfs/dbraw/zinc/04/10/55/343041055.db2.gz YNXLDZYAFGPNHL-MRVPVSSYSA-N 1 0 226.117 2.265 40 0 BEABRO C[C@H](C[NH+]1CCCCC1)N1CCCCC1 ZINC000022859357 343056215 /nfs/dbraw/zinc/05/62/15/343056215.db2.gz CKFAMVRZYMQMFF-CYBMUJFWSA-N 1 0 210.365 2.347 40 0 BEABRO CCC1(CC)CCN(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000094802153 343157075 /nfs/dbraw/zinc/15/70/75/343157075.db2.gz XBDYXOBDAPECAY-ZDUSSCGKSA-N 1 0 238.375 2.167 40 0 BEABRO CC(=O)O[C@@]1(c2ccccc2)C[C@H](C)C[N@H+](C)C1 ZINC000000051466 187244375 /nfs/dbraw/zinc/24/43/75/187244375.db2.gz QSTBERFREDOMJD-WFASDCNBSA-N 1 0 247.338 2.417 40 0 BEABRO Cc1c(Cl)cnn1CCC1CC[NH2+]CC1 ZINC000157621121 343199502 /nfs/dbraw/zinc/19/95/02/343199502.db2.gz HGGFSGYFYHZCPF-UHFFFAOYSA-N 1 0 227.739 2.235 40 0 BEABRO CC(=O)O[C@]1(c2ccccc2)C[C@H](C)C[N@H+](C)C1 ZINC000004474744 187246610 /nfs/dbraw/zinc/24/66/10/187246610.db2.gz QSTBERFREDOMJD-SWLSCSKDSA-N 1 0 247.338 2.417 40 0 BEABRO COC(=O)[C@@H](C)C[NH2+]Cc1ccccc1Cl ZINC000035133560 343286472 /nfs/dbraw/zinc/28/64/72/343286472.db2.gz CMAHLTYYUYEYLO-VIFPVBQESA-N 1 0 241.718 2.239 40 0 BEABRO O=C(OCc1ccccc1)[C@H]1C[C@H]2CCC[C@@H]2[NH2+]1 ZINC000033691988 343258945 /nfs/dbraw/zinc/25/89/45/343258945.db2.gz KEDWLCOPRDSQBB-HZSPNIEDSA-N 1 0 245.322 2.260 40 0 BEABRO C/C=C/[C@@H]1[NH2+]CCc2cc(OC)c(OC)cc21 ZINC000022113447 187254365 /nfs/dbraw/zinc/25/43/65/187254365.db2.gz UOCYGISMICKYAI-ITKZLYELSA-N 1 0 233.311 2.467 40 0 BEABRO COC(=O)C[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000035748671 343304014 /nfs/dbraw/zinc/30/40/14/343304014.db2.gz QKDWILGTHSGXOG-VIFPVBQESA-N 1 0 241.718 2.381 40 0 BEABRO CC(C)N(Cc1ccccc1Cl)C(=O)C[NH3+] ZINC000032090442 187256138 /nfs/dbraw/zinc/25/61/38/187256138.db2.gz ILRBSILLJQXKAI-UHFFFAOYSA-N 1 0 240.734 2.036 40 0 BEABRO [NH3+][C@H](CCc1ccccc1)c1cnccn1 ZINC000037467152 343346363 /nfs/dbraw/zinc/34/63/63/343346363.db2.gz BLOQFLXXPMGPFN-GFCCVEGCSA-N 1 0 213.284 2.109 40 0 BEABRO C[C@H](CN1CCC[NH2+]CC1)c1ccccc1 ZINC000040240933 343399045 /nfs/dbraw/zinc/39/90/45/343399045.db2.gz WYPAWXHOCYERMM-CYBMUJFWSA-N 1 0 218.344 2.085 40 0 BEABRO NNc1cc(NCc2ccccc2Cl)nc[nH+]1 ZINC000045918597 343535472 /nfs/dbraw/zinc/53/54/72/343535472.db2.gz VWPDOSXCHWWXAA-UHFFFAOYSA-N 1 0 249.705 2.028 40 0 BEABRO C[C@@H](C[NH2+]Cc1ccco1)C(=O)OC(C)(C)C ZINC000047219026 343559205 /nfs/dbraw/zinc/55/92/05/343559205.db2.gz GWZNVTPAJOAVCD-JTQLQIEISA-N 1 0 239.315 2.347 40 0 BEABRO Cc1c[nH+]c(N2CCCCCC2)c(N)c1 ZINC000082532456 187266580 /nfs/dbraw/zinc/26/65/80/187266580.db2.gz FHRQJTQQXGSPEK-UHFFFAOYSA-N 1 0 205.305 2.353 40 0 BEABRO C[C@@H]1C[C@]1(C[NH3+])[C@H](O)c1cccc(Cl)c1 ZINC000096527191 343760058 /nfs/dbraw/zinc/76/00/58/343760058.db2.gz XBJANVHKFVLHTL-GGZOMVNGSA-N 1 0 225.719 2.358 40 0 BEABRO CC[C@@H](C(=O)N1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000067800418 187274451 /nfs/dbraw/zinc/27/44/51/187274451.db2.gz MORJXNXBCOPEET-GXTWGEPZSA-N 1 0 246.354 2.001 40 0 BEABRO CC(C)Cc1noc([C@@H]2CCC[NH2+]CC2)n1 ZINC000095095439 187286568 /nfs/dbraw/zinc/28/65/68/187286568.db2.gz QJEDNHXFDQTFBB-SNVBAGLBSA-N 1 0 223.320 2.125 40 0 BEABRO CCCC[N@@H+]1CCC[C@@]2(CCC(=O)N2C)CC1 ZINC000585100527 344131199 /nfs/dbraw/zinc/13/11/99/344131199.db2.gz MGTUTLXKMSWQLP-CQSZACIVSA-N 1 0 238.375 2.263 40 0 BEABRO CC[C@@H](C)[N@@H+]1CCC[C@@]2(CN(C(C)C)C2=O)C1 ZINC000585099691 344132422 /nfs/dbraw/zinc/13/24/22/344132422.db2.gz YIKDKAUOMQAHCL-OCCSQVGLSA-N 1 0 238.375 2.118 40 0 BEABRO C[NH2+]C[C@@H]1C[C@@H]1c1ccc(OC)cc1OC ZINC000054588571 259374125 /nfs/dbraw/zinc/37/41/25/259374125.db2.gz FKZTUXUPAFVPSV-CABZTGNLSA-N 1 0 221.300 2.027 40 0 BEABRO CC[NH+]1CCC(c2nc3ccc(C)cn3n2)CC1 ZINC000096260696 344371865 /nfs/dbraw/zinc/37/18/65/344371865.db2.gz BYMOXGNKBYNQBC-UHFFFAOYSA-N 1 0 244.342 2.237 40 0 BEABRO CC(C)(C)OC(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC000217076264 344477681 /nfs/dbraw/zinc/47/76/81/344477681.db2.gz SYCMFTHLNCVHEM-UHFFFAOYSA-N 1 0 240.347 2.043 40 0 BEABRO COc1cccc([C@H]2C[C@H]2[C@@H](C)[NH3+])c1OC ZINC000020594441 344509961 /nfs/dbraw/zinc/50/99/61/344509961.db2.gz NRMIRCUHNDPXEF-DVVUODLYSA-N 1 0 221.300 2.155 40 0 BEABRO Cc1cc([C@@H]2CCC[N@H+]2C(C)C)c[nH]c1=O ZINC000072217957 344514027 /nfs/dbraw/zinc/51/40/27/344514027.db2.gz AMQQYOSDFVKWKU-LBPRGKRZSA-N 1 0 220.316 2.229 40 0 BEABRO CC(C)(C)OC(=O)C[N@@H+]1CCCC1(C)C ZINC000170872745 187304521 /nfs/dbraw/zinc/30/45/21/187304521.db2.gz DRYUMICHMUKBSV-UHFFFAOYSA-N 1 0 213.321 2.203 40 0 BEABRO C[n+]1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000000405546 345926578 /nfs/dbraw/zinc/92/65/78/345926578.db2.gz QFLATZNEOVQJFV-UHFFFAOYSA-O 1 0 210.260 2.054 40 0 BEABRO CC[C@@H](C)[NH2+]Cc1cc(OC)c(O)c(OC)c1 ZINC000020085662 187317241 /nfs/dbraw/zinc/31/72/41/187317241.db2.gz BVMCXNHSXPRBLZ-SECBINFHSA-N 1 0 239.315 2.298 40 0 BEABRO Cc1cccc(C(=O)NCCC[NH+]2CCCC2)c1 ZINC000013668476 179015862 /nfs/dbraw/zinc/01/58/62/179015862.db2.gz BYYMPOHSEYAJQW-UHFFFAOYSA-N 1 0 246.354 2.211 40 0 BEABRO Cc1cccc(C)c1NC[C@H]1CCC[NH2+]1 ZINC000002565974 179043778 /nfs/dbraw/zinc/04/37/78/179043778.db2.gz UWCWUCKPEYNDNV-GFCCVEGCSA-N 1 0 204.317 2.467 40 0 BEABRO Cc1cccc(CN(CC[NH3+])C(C)C)c1 ZINC000032011646 179071492 /nfs/dbraw/zinc/07/14/92/179071492.db2.gz OFIIYEDMVWNJLV-UHFFFAOYSA-N 1 0 206.333 2.164 40 0 BEABRO Cc1cccc(C[N@@H+]2CCC[C@H](O)C2)c1F ZINC000038539608 179075838 /nfs/dbraw/zinc/07/58/38/179075838.db2.gz MUTIVJHRCZZXJZ-LBPRGKRZSA-N 1 0 223.291 2.091 40 0 BEABRO Cc1cccc([C@@H](O)C2(C[NH3+])CC(C)C2)c1 ZINC000085396034 179186540 /nfs/dbraw/zinc/18/65/40/179186540.db2.gz JDTBFYJBBSQCOU-HRDQMINSSA-N 1 0 219.328 2.403 40 0 BEABRO Nc1cc2ccccc2nc1C1CC[NH2+]CC1 ZINC000019376246 347216175 /nfs/dbraw/zinc/21/61/75/347216175.db2.gz WQEQSIVCBPSQKI-UHFFFAOYSA-N 1 0 227.311 2.284 40 0 BEABRO Cc1cccc([C@H](CN)[NH+]2CCCC2)c1 ZINC000038808842 179198641 /nfs/dbraw/zinc/19/86/41/179198641.db2.gz BBSLVZVOUQMTNI-ZDUSSCGKSA-N 1 0 204.317 2.091 40 0 BEABRO Cc1cccc2c1C1(CO2)CC[NH2+]CC1 ZINC000098213587 179213338 /nfs/dbraw/zinc/21/33/38/179213338.db2.gz XOYJRWUULJCWJJ-UHFFFAOYSA-N 1 0 203.285 2.009 40 0 BEABRO Cc1ccc([C@H]2CC[N@@H+](C)C[C@@H]2CO)cc1 ZINC000167836119 347404088 /nfs/dbraw/zinc/40/40/88/347404088.db2.gz PNSQELDDLYCOEM-ZIAGYGMSSA-N 1 0 219.328 2.023 40 0 BEABRO Cc1cccc2c1OCC21CC[NH2+]CC1 ZINC000255190716 179220959 /nfs/dbraw/zinc/22/09/59/179220959.db2.gz YYXAGMHAZAFBND-UHFFFAOYSA-N 1 0 203.285 2.009 40 0 BEABRO Cc1ccccc1-c1cnn([C@@H](C)C[NH3+])c1 ZINC000085391505 179236245 /nfs/dbraw/zinc/23/62/45/179236245.db2.gz BTIICKLDGUKPPF-NSHDSACASA-N 1 0 215.300 2.378 40 0 BEABRO CC[C@H]([NH2+]C)c1cc(OC)ccc1OC ZINC000020265025 347438551 /nfs/dbraw/zinc/43/85/51/347438551.db2.gz JUWXRKAQXLRMLH-NSHDSACASA-N 1 0 209.289 2.374 40 0 BEABRO Cc1cccc2cc3c(nc12)O[C@H](C)C[NH2+]C3 ZINC000019236732 179228661 /nfs/dbraw/zinc/22/86/61/179228661.db2.gz HVZSZGYPTREYOE-SNVBAGLBSA-N 1 0 228.295 2.414 40 0 BEABRO Cc1ccccc1-c1nnc([C@H]2CCC[NH2+]2)o1 ZINC000032015755 179239811 /nfs/dbraw/zinc/23/98/11/179239811.db2.gz ZQRLQGBRKAQQNS-LLVKDONJSA-N 1 0 229.283 2.470 40 0 BEABRO CCCC[C@H](CC)C(=O)N1CCC[NH2+]CC1 ZINC000020481614 347518283 /nfs/dbraw/zinc/51/82/83/347518283.db2.gz VGDCTWFMINIRDW-LBPRGKRZSA-N 1 0 226.364 2.025 40 0 BEABRO Cc1ccccc1[C@@H](O)C1(C[NH3+])CC(C)C1 ZINC000085396041 179326662 /nfs/dbraw/zinc/32/66/62/179326662.db2.gz ZQWDYHKYTISTTD-IWXRYERYSA-N 1 0 219.328 2.403 40 0 BEABRO O=C(C[NH2+]C1CC1)Nc1cc(Cl)ccc1F ZINC000037386640 348411042 /nfs/dbraw/zinc/41/10/42/348411042.db2.gz QTAWARWOCTZINS-UHFFFAOYSA-N 1 0 242.681 2.170 40 0 BEABRO Cc1cc[nH+]c(NCCc2ccncc2)c1 ZINC000043561506 179445667 /nfs/dbraw/zinc/44/56/67/179445667.db2.gz BWEXZILDKGSQGI-UHFFFAOYSA-N 1 0 213.284 2.440 40 0 BEABRO CC(C)[N@@H+]1CCC[C@H](Cc2cc[nH]n2)C1 ZINC000205693889 348575898 /nfs/dbraw/zinc/57/58/98/348575898.db2.gz LMXOFVICSIYTLD-LLVKDONJSA-N 1 0 207.321 2.073 40 0 BEABRO CCSc1ncc(C[NH2+]C(C)(C)C)cn1 ZINC000062717280 259406513 /nfs/dbraw/zinc/40/65/13/259406513.db2.gz NHQXOXKLBITUFB-UHFFFAOYSA-N 1 0 225.361 2.477 40 0 BEABRO CCN1C[C@H]2CC[NH2+][C@H]2c2ccccc21 ZINC000005808489 349295660 /nfs/dbraw/zinc/29/56/60/349295660.db2.gz VLWRWRLWJUVOTM-ZWNOBZJWSA-N 1 0 202.301 2.177 40 0 BEABRO Cc1nc([C@H]2CCCC[N@@H+]2C)cc(N(C)C)n1 ZINC000072382318 180055779 /nfs/dbraw/zinc/05/57/79/180055779.db2.gz XGMMQXPZGQGAIZ-GFCCVEGCSA-N 1 0 234.347 2.008 40 0 BEABRO Cc1ccc([C@@H](C[NH3+])N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000219674265 350136511 /nfs/dbraw/zinc/13/65/11/350136511.db2.gz JIDRSRYRCNYOIG-KCQAQPDRSA-N 1 0 248.370 2.104 40 0 BEABRO C([C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]12)N1CCCC1 ZINC000102224563 191065043 /nfs/dbraw/zinc/06/50/43/191065043.db2.gz WYMMZJPKJFWTSS-MCIONIFRSA-N 1 0 222.376 2.251 40 0 BEABRO [NH3+]C[C@@H](C[C@H](O)c1ccccc1)C(F)(F)F ZINC000256053203 351033499 /nfs/dbraw/zinc/03/34/99/351033499.db2.gz QMLDBSDPWZVVKE-ZJUUUORDSA-N 1 0 233.233 2.247 40 0 BEABRO Cc1cccc(-c2nnc([C@@H]3CCC[NH2+]3)o2)c1 ZINC000032015756 352740984 /nfs/dbraw/zinc/74/09/84/352740984.db2.gz UYNPQWYIFMRJHH-NSHDSACASA-N 1 0 229.283 2.470 40 0 BEABRO CC(C)c1ccc([C@@H](C[NH3+])N(C)C)cc1 ZINC000019796040 353120574 /nfs/dbraw/zinc/12/05/74/353120574.db2.gz BSDWAFYGYONRKD-CYBMUJFWSA-N 1 0 206.333 2.371 40 0 BEABRO CC(C)C[C@H]([NH3+])CC(=O)OC(C)(C)C ZINC000002572716 188050062 /nfs/dbraw/zinc/05/00/62/188050062.db2.gz WBOPVTYXLFEVGP-VIFPVBQESA-N 1 0 201.310 2.092 40 0 BEABRO CC(C)[NH2+]Cc1cn(Cc2ccccc2)cn1 ZINC000232661677 353154997 /nfs/dbraw/zinc/15/49/97/353154997.db2.gz PFMWWDRTMPWQKU-UHFFFAOYSA-N 1 0 229.327 2.429 40 0 BEABRO [NH3+]CCOC(=O)Nc1cccc2ccccc21 ZINC000001675958 188274245 /nfs/dbraw/zinc/27/42/45/188274245.db2.gz QEOYWAAIISBCJE-UHFFFAOYSA-N 1 0 230.267 2.347 40 0 BEABRO C[n+]1ccccc1N1CCC(c2ccccc2)=N1 ZINC000005535502 188277711 /nfs/dbraw/zinc/27/77/11/188277711.db2.gz ONTQUJVEYUVOOU-UHFFFAOYSA-N 1 0 238.314 2.126 40 0 BEABRO Cc1n[nH]c(C)c1[C@H]([NH3+])c1ccccc1 ZINC000036624825 188286106 /nfs/dbraw/zinc/28/61/06/188286106.db2.gz HPERHSNHKQWJBY-GFCCVEGCSA-N 1 0 201.273 2.153 40 0 BEABRO CC(=O)Nc1ccccc1C1CC[NH2+]CC1 ZINC000075904862 188288946 /nfs/dbraw/zinc/28/89/46/188288946.db2.gz OIOGRQHMUFCFKJ-UHFFFAOYSA-N 1 0 218.300 2.112 40 0 BEABRO CC(C)(C)Cc1nnc(CC[NH+]2CCCC2)[nH]1 ZINC000062719458 188303349 /nfs/dbraw/zinc/30/33/49/188303349.db2.gz UMYJHUZYEGSMLE-UHFFFAOYSA-N 1 0 236.363 2.032 40 0 BEABRO Cc1nc(C2CC[NH+](C(C)C)CC2)cc(=O)[nH]1 ZINC000072356936 188307102 /nfs/dbraw/zinc/30/71/02/188307102.db2.gz VAZDZCZQUHNXNQ-UHFFFAOYSA-N 1 0 235.331 2.078 40 0 BEABRO O=c1[nH]c([C@H]2CCC[NH2+]C2)cc2ccccc21 ZINC000072365939 188307357 /nfs/dbraw/zinc/30/73/57/188307357.db2.gz KUQYFVHUXBUYER-NSHDSACASA-N 1 0 228.295 2.407 40 0 BEABRO CC(C)[C@@H]([NH3+])c1nc2cccnc2n1C1CC1 ZINC000088872454 188318053 /nfs/dbraw/zinc/31/80/53/188318053.db2.gz BOSFLTKAFYEEFU-LLVKDONJSA-N 1 0 230.315 2.422 40 0 BEABRO CC(C)N1CC[NH+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000196369376 188353771 /nfs/dbraw/zinc/35/37/71/188353771.db2.gz ZUYPESQMYNAILG-RRFJBIMHSA-N 1 0 234.387 2.225 40 0 BEABRO CC(C)(C)c1ccc2c(c1)C[C@@H](C[NH3+])O2 ZINC000218746384 188355375 /nfs/dbraw/zinc/35/53/75/188355375.db2.gz XSMWHWHUOXVWEX-NSHDSACASA-N 1 0 205.301 2.246 40 0 BEABRO Fc1cccc2c1CC[C@]21CCC[NH2+]C1 ZINC000095635322 181006389 /nfs/dbraw/zinc/00/63/89/181006389.db2.gz OASOAUKDUNYFHD-ZDUSSCGKSA-N 1 0 205.276 2.393 40 0 BEABRO Fc1ccccc1COC[C@H]1CCCC[NH2+]1 ZINC000028521888 181013500 /nfs/dbraw/zinc/01/35/00/181013500.db2.gz YWLKUPBLUWDJSY-GFCCVEGCSA-N 1 0 223.291 2.484 40 0 BEABRO NC(=[NH2+])c1cc(C(F)(F)F)ccc1F ZINC000075847649 181193779 /nfs/dbraw/zinc/19/37/79/181193779.db2.gz NUVNNKYZPXXDLP-UHFFFAOYSA-N 1 0 206.142 2.129 40 0 BEABRO NC(=[NH2+])c1cc(Cl)cc(Br)c1 ZINC000199769435 181194327 /nfs/dbraw/zinc/19/43/27/181194327.db2.gz GQCWUAUHQYQXDI-UHFFFAOYSA-N 1 0 233.496 2.387 40 0 BEABRO [NH3+]C[C@H](F)c1cccc(Br)c1 ZINC000211948027 356320208 /nfs/dbraw/zinc/32/02/08/356320208.db2.gz CWAHHQSCBWJANH-QMMMGPOBSA-N 1 0 218.069 2.418 40 0 BEABRO Cc1ccc(OC[C@@]2(O)CCC[NH2+]CC2)cc1C ZINC000399482150 356658070 /nfs/dbraw/zinc/65/80/70/356658070.db2.gz AWHPTIPDDQUVCT-OAHLLOKOSA-N 1 0 249.354 2.187 40 0 BEABRO CC(C)[NH+]1CCC(NCC(F)(F)F)CC1 ZINC000019518078 356858463 /nfs/dbraw/zinc/85/84/63/356858463.db2.gz GPJBOOQTXGRQJJ-UHFFFAOYSA-N 1 0 224.270 2.011 40 0 BEABRO COc1cccc2cc(C[NH3+])c(Cl)nc21 ZINC000258723234 538795143 /nfs/dbraw/zinc/79/51/43/538795143.db2.gz BEKDOSJZZWCRQJ-UHFFFAOYSA-N 1 0 222.675 2.356 40 0 BEABRO NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000020160461 181319912 /nfs/dbraw/zinc/31/99/12/181319912.db2.gz AWYBVNXEOXFKHD-UHFFFAOYSA-N 1 0 249.383 2.328 40 0 BEABRO CCOC(=O)[C@H]1CC[NH2+][C@@H]1c1ccc(F)cc1 ZINC000257197973 370683364 /nfs/dbraw/zinc/68/33/64/370683364.db2.gz OVVYFUJXQSDWMI-NWDGAFQWSA-N 1 0 237.274 2.039 40 0 BEABRO [NH3+]C1(C(=O)OCc2ccccc2)CCCCC1 ZINC000034493267 181330999 /nfs/dbraw/zinc/33/09/99/181330999.db2.gz JBCMPTHWXJGFJC-UHFFFAOYSA-N 1 0 233.311 2.391 40 0 BEABRO [NH3+]C1CCN(Cc2cccc(F)c2Cl)CC1 ZINC000038539557 181344855 /nfs/dbraw/zinc/34/48/55/181344855.db2.gz DWJKIZNYLWDPPL-UHFFFAOYSA-N 1 0 242.725 2.402 40 0 BEABRO [NH3+]CC1([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000096527063 181361744 /nfs/dbraw/zinc/36/17/44/181361744.db2.gz XLLGHOOVKPOUPF-JTQLQIEISA-N 1 0 211.692 2.112 40 0 BEABRO C[NH2+]Cc1ccc(NCc2ccccc2)nc1 ZINC000072225358 259533210 /nfs/dbraw/zinc/53/32/10/259533210.db2.gz DXILLVFBNRNQCA-UHFFFAOYSA-N 1 0 227.311 2.413 40 0 BEABRO [NH3+]CCCCCNc1cc(O)cc2cccnc21 ZINC000001687529 181374895 /nfs/dbraw/zinc/37/48/95/181374895.db2.gz WNRGIRYGYJNKOE-UHFFFAOYSA-N 1 0 245.326 2.481 40 0 BEABRO [NH3+]CCCNc1nccc2c(F)cccc21 ZINC000082765941 181382925 /nfs/dbraw/zinc/38/29/25/181382925.db2.gz BOOVOHACIVDHGU-UHFFFAOYSA-N 1 0 219.263 2.135 40 0 BEABRO [NH3+]CCN[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816273 181396846 /nfs/dbraw/zinc/39/68/46/181396846.db2.gz UUIZJDJMUFRKJB-CYBMUJFWSA-N 1 0 229.327 2.094 40 0 BEABRO [NH3+]CCOCc1ccc(Cl)c(Cl)c1 ZINC000028522046 181399605 /nfs/dbraw/zinc/39/96/05/181399605.db2.gz JZJDICZTVZMHES-UHFFFAOYSA-N 1 0 220.099 2.469 40 0 BEABRO [NH3+]CCc1cc(Cl)ccc1OC(F)F ZINC000037721062 181411608 /nfs/dbraw/zinc/41/16/08/181411608.db2.gz IELOSIRXFGITGV-UHFFFAOYSA-N 1 0 221.634 2.443 40 0 BEABRO Cn1cc(-c2ccc([C@H]3CCCC[NH2+]3)cn2)cn1 ZINC000205677064 368356183 /nfs/dbraw/zinc/35/61/83/368356183.db2.gz RZUNFFQPLXSZQV-CYBMUJFWSA-N 1 0 242.326 2.297 40 0 BEABRO C[N@@H+]1CCC[C@@H](c2cccc(-c3cc[nH]n3)n2)C1 ZINC000205694987 368357911 /nfs/dbraw/zinc/35/79/11/368357911.db2.gz YWBSZFBKDGRRAW-LLVKDONJSA-N 1 0 242.326 2.281 40 0 BEABRO [NH3+]C[C@@H]1C[C@]12CCOc1ccc(Cl)cc12 ZINC000218685772 181438769 /nfs/dbraw/zinc/43/87/69/181438769.db2.gz OJTLHRANFACQCV-QPUJVOFHSA-N 1 0 223.703 2.339 40 0 BEABRO C[NH2+][C@@H](C)Cc1cc2c(cc1Cl)OCO2 ZINC000202429017 369419861 /nfs/dbraw/zinc/41/98/61/369419861.db2.gz UUGIOXDVHPQROZ-ZETCQYMHSA-N 1 0 227.691 2.219 40 0 in-vitro BEABRO CC(C)C(=O)OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000013425062 371063531 /nfs/dbraw/zinc/06/35/31/371063531.db2.gz OKDZSBOUVNBQMR-OLZOCXBDSA-N 1 0 239.359 2.450 40 0 BEABRO CC[NH+](CC)C[C@H](N)c1ccc(C)cc1 ZINC000019821192 371193057 /nfs/dbraw/zinc/19/30/57/371193057.db2.gz SNVZAIYZNMGLPC-ZDUSSCGKSA-N 1 0 206.333 2.337 40 0 BEABRO [NH3+][C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000020495009 181578904 /nfs/dbraw/zinc/57/89/04/181578904.db2.gz CKKVFLXFSLUBDB-LLVKDONJSA-N 1 0 224.735 2.263 40 0 BEABRO [NH3+][C@H](CCO)c1cccc2ccccc21 ZINC000002530228 181616754 /nfs/dbraw/zinc/61/67/54/181616754.db2.gz WMFVLYNMUQRXTB-CYBMUJFWSA-N 1 0 201.269 2.222 40 0 BEABRO COc1ccc([C@@H]2C[C@@H]2[C@@H](C)[NH3+])cc1OC ZINC000020392390 371277593 /nfs/dbraw/zinc/27/75/93/371277593.db2.gz HYRHCZXUDHOWNL-IEBDPFPHSA-N 1 0 221.300 2.155 40 0 BEABRO [NH3+][C@H]1CCN(Cc2ccc(Cl)cc2F)C1 ZINC000038538949 181651984 /nfs/dbraw/zinc/65/19/84/181651984.db2.gz QUMWTUKNBBNGLP-JTQLQIEISA-N 1 0 228.698 2.012 40 0 BEABRO CC(C)(C)[NH2+]C[C@H]1CO[C@@H](c2ccccc2)O1 ZINC000003010044 371838028 /nfs/dbraw/zinc/83/80/28/371838028.db2.gz IWFPJSASCSZFCH-QWHCGFSZSA-N 1 0 235.327 2.489 40 0 BEABRO O=C(Nc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000019409386 182368661 /nfs/dbraw/zinc/36/86/61/182368661.db2.gz DOXSTJMBRRXDDV-UHFFFAOYSA-N 1 0 238.718 2.278 40 0 BEABRO O=C(Nc1ccccc1)O[C@H]1C[NH+]2CCC1CC2 ZINC000000050682 182376769 /nfs/dbraw/zinc/37/67/69/182376769.db2.gz JEPJAGMRBZWMCT-ZDUSSCGKSA-N 1 0 246.310 2.329 40 0 BEABRO CCCCc1noc([C@@H]2CCC[NH2+]CC2)n1 ZINC000095095441 169030428 /nfs/dbraw/zinc/03/04/28/169030428.db2.gz VCSDNFPBFODQNS-SNVBAGLBSA-N 1 0 223.320 2.269 40 0 BEABRO OC[C@]1(c2ccccc2)CC[N@@H+]2CCCC[C@@H]21 ZINC000095951696 183159093 /nfs/dbraw/zinc/15/90/93/183159093.db2.gz QKDCTUBAQIWOAZ-CABCVRRESA-N 1 0 231.339 2.175 40 0 BEABRO O[C@@H](C[NH2+]Cc1ccccc1)CC(F)(F)F ZINC000026897933 183179953 /nfs/dbraw/zinc/17/99/53/183179953.db2.gz FIPYXVWKZLCGAE-SNVBAGLBSA-N 1 0 233.233 2.090 40 0 BEABRO O[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000061709116 183198454 /nfs/dbraw/zinc/19/84/54/183198454.db2.gz LKFUGDILXFUNLB-LLVKDONJSA-N 1 0 245.244 2.272 40 0 BEABRO O[C@H]1CC[C@H]([NH2+]Cc2ccccc2F)CC1 ZINC000247739916 183202307 /nfs/dbraw/zinc/20/23/07/183202307.db2.gz NHCOMEZLJSALQB-HAQNSBGRSA-N 1 0 223.291 2.219 40 0 BEABRO O[C@@H](c1ccc2ccccc2n1)[C@@H]1CCCC[NH2+]1 ZINC000001730922 183185377 /nfs/dbraw/zinc/18/53/77/183185377.db2.gz LSNMFZBXDRDBIG-DZGCQCFKSA-N 1 0 242.322 2.410 40 0 BEABRO O[C@@H]1C[NH2+]CC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000003080600 183208110 /nfs/dbraw/zinc/20/81/10/183208110.db2.gz GRVSNFYUBFPYMK-GHMZBOCLSA-N 1 0 245.244 2.143 40 0 BEABRO O[C@H]1C2(C[NH2+][C@@]13C=CCCC3)CCCCC2 ZINC000001722972 183230712 /nfs/dbraw/zinc/23/07/12/183230712.db2.gz IOXFYROGVKPFKG-GXTWGEPZSA-N 1 0 221.344 2.380 40 0 BEABRO CCC[N@H+](C[C@@H](N)CCSC)CC1CC1 ZINC000096523873 169138652 /nfs/dbraw/zinc/13/86/52/169138652.db2.gz MYZVIZJQPVCMOH-LBPRGKRZSA-N 1 0 230.421 2.189 40 0 BEABRO CCC[NH+](CCC)C[C@@H](N)CCSC ZINC000039794815 169147201 /nfs/dbraw/zinc/14/72/01/169147201.db2.gz TYTUMLNFFLQEHS-NSHDSACASA-N 1 0 218.410 2.189 40 0 BEABRO S=C(NCC[NH+]1CCCC1)Nc1ccccc1 ZINC000005582288 183311024 /nfs/dbraw/zinc/31/10/24/183311024.db2.gz CESFFQNRZCJBFX-UHFFFAOYSA-N 1 0 249.383 2.069 40 0 BEABRO CCC[N@@H+]1CCc2cc3c(cc2C1)OCO3 ZINC000001704007 169208533 /nfs/dbraw/zinc/20/85/33/169208533.db2.gz PVVKAHNXBXEBEV-UHFFFAOYSA-N 1 0 219.284 2.183 40 0 BEABRO CCC[N@@H+]1CCc2nc(NC(C)C)nc(C)c2C1 ZINC000096253915 169208647 /nfs/dbraw/zinc/20/86/47/169208647.db2.gz NUGRZFZMQTYHSU-UHFFFAOYSA-N 1 0 248.374 2.373 40 0 BEABRO c1cnc2cccc(C[C@H]3C[NH2+]CCOC3)c2c1 ZINC000072344400 183354401 /nfs/dbraw/zinc/35/44/01/183354401.db2.gz UABUZYOKZBLAQS-LBPRGKRZSA-N 1 0 242.322 2.013 40 0 BEABRO c1cc(NC2CCOCC2)nc([C@@H]2CCC[NH2+]2)c1 ZINC000072386966 183357250 /nfs/dbraw/zinc/35/72/50/183357250.db2.gz FUBDYPWKSNJSKG-LBPRGKRZSA-N 1 0 247.342 2.097 40 0 BEABRO c1sc2[n+](c1-c1ccccc1)CCN2 ZINC000001597996 183382498 /nfs/dbraw/zinc/38/24/98/183382498.db2.gz OZNXXVWKDIUAJB-UHFFFAOYSA-O 1 0 203.290 2.128 40 0 BEABRO c1cc([C@@H]2CCCC[NH2+]2)n(C2CCC2)n1 ZINC000096509761 183361204 /nfs/dbraw/zinc/36/12/04/183361204.db2.gz OELCYGHWPKGZGG-NSHDSACASA-N 1 0 205.305 2.423 40 0 BEABRO c1cc(SCC2CC[NH2+]CC2)ccn1 ZINC000087110540 183361348 /nfs/dbraw/zinc/36/13/48/183361348.db2.gz NPAWEBAXRJNAII-UHFFFAOYSA-N 1 0 208.330 2.173 40 0 BEABRO c1cc([C@H]2CCCC[NH2+]2)n(C2CCC2)n1 ZINC000096509762 183362172 /nfs/dbraw/zinc/36/21/72/183362172.db2.gz OELCYGHWPKGZGG-LLVKDONJSA-N 1 0 205.305 2.423 40 0 BEABRO c1ccc(CC[NH+]2CCC3(COC3)CC2)cc1 ZINC000096051226 183391020 /nfs/dbraw/zinc/39/10/20/183391020.db2.gz LKUXDYFDHYUGGP-UHFFFAOYSA-N 1 0 231.339 2.342 40 0 BEABRO CCC[NH2+]Cc1c(C)[nH]c2ccccc2c1=O ZINC000217428553 169265990 /nfs/dbraw/zinc/26/59/90/169265990.db2.gz BGMVOJAJMDILEJ-UHFFFAOYSA-N 1 0 230.311 2.336 40 0 BEABRO c1ccc(CN(C2CC2)[C@H]2CCC[NH2+]C2)cc1 ZINC000079437999 183396223 /nfs/dbraw/zinc/39/62/23/183396223.db2.gz MQWGGUMLYJKQFK-HNNXBMFYSA-N 1 0 230.355 2.403 40 0 BEABRO c1ccc(CN2CC[NH2+][C@H]3CCC[C@H]32)cc1 ZINC000218842896 183398378 /nfs/dbraw/zinc/39/83/78/183398378.db2.gz OMWCMAVXTQXEHA-UONOGXRCSA-N 1 0 216.328 2.013 40 0 BEABRO c1ccc(CN2CCC[C@@H]2C[NH2+]C2CC2)cc1 ZINC000053649315 183399651 /nfs/dbraw/zinc/39/96/51/183399651.db2.gz CDWNMFBKHYTWNM-OAHLLOKOSA-N 1 0 230.355 2.403 40 0 BEABRO c1ccc2c(c1)cncc2C[C@H]1CC[NH2+]C1 ZINC000072367579 183438855 /nfs/dbraw/zinc/43/88/55/183438855.db2.gz DXFBGDARBALNCX-LLVKDONJSA-N 1 0 212.296 2.387 40 0 BEABRO c1ccc2oc(NC[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000044503037 183461712 /nfs/dbraw/zinc/46/17/12/183461712.db2.gz GGIWPNVKEBVTOF-SNVBAGLBSA-N 1 0 231.299 2.239 40 0 BEABRO c1cnc2c(c1)cccc2C[C@H]1C[NH2+]CCOC1 ZINC000072344404 183485837 /nfs/dbraw/zinc/48/58/37/183485837.db2.gz HAFXZIZXIDYPHU-LBPRGKRZSA-N 1 0 242.322 2.013 40 0 BEABRO CCC[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](C)C1 ZINC000036128003 169346471 /nfs/dbraw/zinc/34/64/71/169346471.db2.gz KXYNBVINDFDWQW-QWRGUYRKSA-N 1 0 213.321 2.060 40 0 BEABRO c1cc(-c2cncnc2)cc(C2CC[NH2+]CC2)n1 ZINC000072386912 183540446 /nfs/dbraw/zinc/54/04/46/183540446.db2.gz SXWUNSWNCFNAAT-UHFFFAOYSA-N 1 0 240.310 2.006 40 0 BEABRO CCN(CCC[C@H](C)[NH3+])C(=O)OC(C)(C)C ZINC000022052756 169836959 /nfs/dbraw/zinc/83/69/59/169836959.db2.gz YGODUYFENNHTJC-JTQLQIEISA-N 1 0 230.352 2.371 40 0 in-vitro BEABRO c1ccc(CO[C@H]2C[NH2+]CC[C@@]23CCCO3)cc1 ZINC000257202641 383908627 /nfs/dbraw/zinc/90/86/27/383908627.db2.gz AMSIXYZLRHTKJZ-GJZGRUSLSA-N 1 0 247.338 2.114 40 0 BEABRO CN(Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC000036301431 383897876 /nfs/dbraw/zinc/89/78/76/383897876.db2.gz SKBAIGOYWZKQCV-UHFFFAOYSA-N 1 0 222.307 2.010 40 0 BEABRO CC(C)(C)[C@H]1CN2C[C@H](C(C)(C)C)[NH+]=C2N1 ZINC000088462753 383905537 /nfs/dbraw/zinc/90/55/37/383905537.db2.gz NHPAGFYCHIPMCC-NXEZZACHSA-N 1 0 223.364 2.091 40 0 BEABRO C[C@H](C[NH3+])Cc1ccccc1OC(F)F ZINC000089262699 383955484 /nfs/dbraw/zinc/95/54/84/383955484.db2.gz HZAIRVONBVDNNZ-QMMMGPOBSA-N 1 0 215.243 2.425 40 0 BEABRO C[C@@H]([NH3+])COCc1cccc(OC(F)F)c1 ZINC000089262730 383957855 /nfs/dbraw/zinc/95/78/55/383957855.db2.gz AOHRQOMMFIHKBN-MRVPVSSYSA-N 1 0 231.242 2.152 40 0 BEABRO FC(F)(F)c1ccnc(NC2CC[NH2+]CC2)c1 ZINC000090803784 384076457 /nfs/dbraw/zinc/07/64/57/384076457.db2.gz LHUHSNIYAGFCJM-UHFFFAOYSA-N 1 0 245.248 2.264 40 0 BEABRO c1cnc2ccc(C[C@@H]3CC[NH2+]C3)cc2c1 ZINC000070627754 384128205 /nfs/dbraw/zinc/12/82/05/384128205.db2.gz GGKQIJRCZXSVTK-LBPRGKRZSA-N 1 0 212.296 2.387 40 0 BEABRO CCN(C[C@@H]1CCC[NH2+]C1)C(=O)OC(C)(C)C ZINC000079437607 384147073 /nfs/dbraw/zinc/14/70/73/384147073.db2.gz LXQBAFPDAGXQOB-LLVKDONJSA-N 1 0 242.363 2.243 40 0 BEABRO CC[C@H](c1ccccc1)N(C(=O)C[NH3+])C(C)C ZINC000079421172 384145192 /nfs/dbraw/zinc/14/51/92/384145192.db2.gz NRGVNVWOAJDIMH-CYBMUJFWSA-N 1 0 234.343 2.333 40 0 BEABRO [NH3+]Cc1ccc(OCCC(F)(F)F)cc1 ZINC000080936526 384178087 /nfs/dbraw/zinc/17/80/87/384178087.db2.gz NKBKUGFBHKFYLX-UHFFFAOYSA-N 1 0 219.206 2.477 40 0 BEABRO Cc1nc2ccccc2n1C[C@@H]1CCCC[NH2+]1 ZINC000043494153 384188625 /nfs/dbraw/zinc/18/86/25/384188625.db2.gz XXIKFPWBJCKTQX-LBPRGKRZSA-N 1 0 229.327 2.487 40 0 BEABRO CCOc1ccc2c(c1)c(C[NH3+])c(C)n2C ZINC000082597254 384238861 /nfs/dbraw/zinc/23/88/61/384238861.db2.gz HHOVEXMTHKXQSI-UHFFFAOYSA-N 1 0 218.300 2.344 40 0 BEABRO Cc1nccn1-c1cccc(C2CC[NH2+]CC2)n1 ZINC000072344159 384208570 /nfs/dbraw/zinc/20/85/70/384208570.db2.gz AJHQXQOQMNVBOZ-UHFFFAOYSA-N 1 0 242.326 2.043 40 0 BEABRO Cc1c[nH]nc1[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000072356956 384210149 /nfs/dbraw/zinc/21/01/49/384210149.db2.gz YRSLKFVOADAWLC-LLVKDONJSA-N 1 0 207.321 2.306 40 0 BEABRO Cc1ccc([C@@]2(O)CC[N@@H+](C(C)C)C2)cc1 ZINC000072350983 384210963 /nfs/dbraw/zinc/21/09/63/384210963.db2.gz JUJZLDNIHSPBFX-CQSZACIVSA-N 1 0 219.328 2.297 40 0 BEABRO Cc1ccc([C@]2(O)CC[N@@H+](C(C)C)C2)cc1 ZINC000072350982 384211118 /nfs/dbraw/zinc/21/11/18/384211118.db2.gz JUJZLDNIHSPBFX-AWEZNQCLSA-N 1 0 219.328 2.297 40 0 BEABRO Cc1c[nH]nc1C1CC[NH+](C2CCOCC2)CC1 ZINC000072357347 384212745 /nfs/dbraw/zinc/21/27/45/384212745.db2.gz OQIVCTUDXRSRBK-UHFFFAOYSA-N 1 0 249.358 2.077 40 0 BEABRO CNc1nccnc1[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000072361355 384212771 /nfs/dbraw/zinc/21/27/71/384212771.db2.gz UMNLONUFXOGMRG-GFCCVEGCSA-N 1 0 246.358 2.108 40 0 BEABRO Cc1ccnc([C@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072381931 384216681 /nfs/dbraw/zinc/21/66/81/384216681.db2.gz IUQYYZANMKKGEE-CYBMUJFWSA-N 1 0 247.342 2.101 40 0 BEABRO Cc1c[nH]nc1C1C[NH+](C2CCCC2)C1 ZINC000072381174 384217363 /nfs/dbraw/zinc/21/73/63/384217363.db2.gz GLSRDNAICPGIQW-UHFFFAOYSA-N 1 0 205.305 2.060 40 0 BEABRO CC(C)n1c2ccncc2nc1[C@@H](C)[NH3+] ZINC000084132682 384225327 /nfs/dbraw/zinc/22/53/27/384225327.db2.gz HJAMHJUOVAXGMO-MRVPVSSYSA-N 1 0 204.277 2.032 40 0 BEABRO C[NH+]1CCC(O)(c2ccc(F)c(Cl)c2)CC1 ZINC000079030374 384264512 /nfs/dbraw/zinc/26/45/12/384264512.db2.gz ITFIQSPSAFTJMN-UHFFFAOYSA-N 1 0 243.709 2.392 40 0 BEABRO CN(C(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC000074920984 384312042 /nfs/dbraw/zinc/31/20/42/384312042.db2.gz WVQDTRVDIGRAFN-UHFFFAOYSA-N 1 0 246.354 2.381 40 0 BEABRO FC(F)(F)Oc1ccc2c(c1)CC[NH2+]C2 ZINC000012481643 384323291 /nfs/dbraw/zinc/32/32/91/384323291.db2.gz YUAWGGOYRXDHGZ-UHFFFAOYSA-N 1 0 217.190 2.231 40 0 BEABRO C[C@H]([NH3+])c1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC000061843938 384383390 /nfs/dbraw/zinc/38/33/90/384383390.db2.gz QJUGQNHMXAWIFM-LURJTMIESA-N 1 0 222.679 2.145 40 0 BEABRO CCC[C@H](C)[NH2+]CCC(=O)OC(C)(C)C ZINC000047218949 384447108 /nfs/dbraw/zinc/44/71/08/384447108.db2.gz CZAYEBWYBQCNAX-JTQLQIEISA-N 1 0 215.337 2.496 40 0 BEABRO CCO[C@@H]1COC2(C1)CC[NH+](CC1CC1)CC2 ZINC000096048117 384427978 /nfs/dbraw/zinc/42/79/78/384427978.db2.gz VKQHZEVAOQSGGB-ZDUSSCGKSA-N 1 0 239.359 2.056 40 0 BEABRO c1ccc2c(c1)CCN2C1[C@@H]2CCC[C@H]1C[NH2+]C2 ZINC000019375415 384517867 /nfs/dbraw/zinc/51/78/67/384517867.db2.gz SRVWVZSGTDUPKO-MZBDJJRSSA-N 1 0 242.366 2.437 40 0 BEABRO Cn1cc(-c2cccc(Cl)c2)[nH+]c1N ZINC000199560237 384524174 /nfs/dbraw/zinc/52/41/74/384524174.db2.gz BSOJGGSPHWHVPV-UHFFFAOYSA-N 1 0 207.664 2.323 40 0 BEABRO CCCC[NH+](CCCC)Cc1cc(N)n(C)n1 ZINC000408716156 384701914 /nfs/dbraw/zinc/70/19/14/384701914.db2.gz JMLMEGYUNGYRAM-UHFFFAOYSA-N 1 0 238.379 2.405 40 0 BEABRO [NH3+][C@H]1CCCN(Cc2cc(Cl)ccc2F)C1 ZINC000084551429 384742332 /nfs/dbraw/zinc/74/23/32/384742332.db2.gz WPXZCEZLJCPGTK-NSHDSACASA-N 1 0 242.725 2.402 40 0 BEABRO CCOc1ccc([C@H](C[NH2+]C)OCC)cc1 ZINC000062711551 384852014 /nfs/dbraw/zinc/85/20/14/384852014.db2.gz ANKDXIJKQSGIHK-ZDUSSCGKSA-N 1 0 223.316 2.382 40 0 BEABRO CC(=O)c1c(N)sc2c1CC[N@@H+](C(C)C)C2 ZINC000083744557 384859674 /nfs/dbraw/zinc/85/96/74/384859674.db2.gz KIEBFLVZRNLJSO-UHFFFAOYSA-N 1 0 238.356 2.299 40 0 BEABRO [NH3+][C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000127873137 384957531 /nfs/dbraw/zinc/95/75/31/384957531.db2.gz HPLZQVPAYLSJEZ-GHMZBOCLSA-N 1 0 238.128 2.364 40 0 BEABRO c1ccc([C@@H]2C[C@H]2C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000071477100 384914675 /nfs/dbraw/zinc/91/46/75/384914675.db2.gz KJWVAYDVQDFQKH-GJZGRUSLSA-N 1 0 230.355 2.085 40 0 BEABRO CC[C@H](C)c1noc([C@@H]2CCC[NH2+]C2)n1 ZINC000057340781 384939905 /nfs/dbraw/zinc/93/99/05/384939905.db2.gz LIRWVCGSRVEEHM-DTWKUNHWSA-N 1 0 209.293 2.050 40 0 BEABRO CC[C@H](C)c1noc(C2CC[NH2+]CC2)n1 ZINC000057340772 384940595 /nfs/dbraw/zinc/94/05/95/384940595.db2.gz YTIZVSRZMKIRQN-QMMMGPOBSA-N 1 0 209.293 2.050 40 0 BEABRO C[NH+](C)CCCNCc1cccc(Cl)c1 ZINC000057362387 384943560 /nfs/dbraw/zinc/94/35/60/384943560.db2.gz WKIRLSHMPKXHRF-UHFFFAOYSA-N 1 0 226.751 2.381 40 0 BEABRO [NH3+]C[C@@H]1CCCCN1Cc1cc(F)cc(F)c1 ZINC000084946843 384997386 /nfs/dbraw/zinc/99/73/86/384997386.db2.gz VDEFUSNRDGBFBF-ZDUSSCGKSA-N 1 0 240.297 2.278 40 0 BEABRO [NH3+][C@H]1CC[C@H](N2Cc3cccc(F)c3C2=O)CC1 ZINC000255190203 385020777 /nfs/dbraw/zinc/02/07/77/385020777.db2.gz VPQBIPSVFUOWAI-XYPYZODXSA-N 1 0 248.301 2.051 40 0 BEABRO Cc1cc(N)cc2nc(-c3ccc[n+](C)c3)oc21 ZINC000226778110 385051992 /nfs/dbraw/zinc/05/19/92/385051992.db2.gz JMWFHRSHPURGII-UHFFFAOYSA-N 1 0 240.286 2.210 40 0 BEABRO Clc1cccc(Cl)c1CN[C@H]1CC[NH2+]C1 ZINC000072203655 385055924 /nfs/dbraw/zinc/05/59/24/385055924.db2.gz MEFBIHWGLZLLPZ-QMMMGPOBSA-N 1 0 245.153 2.445 40 0 BEABRO CN(C)C(=O)C[C@@H](c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000072208321 385061240 /nfs/dbraw/zinc/06/12/40/385061240.db2.gz GMIWDRXKQPCEEO-UONOGXRCSA-N 1 0 246.354 2.001 40 0 BEABRO CC(C)[C@@H]([NH3+])CCC(=O)Nc1ccccc1 ZINC000072208131 385062019 /nfs/dbraw/zinc/06/20/19/385062019.db2.gz VVAMJYLFZSRHST-LBPRGKRZSA-N 1 0 220.316 2.389 40 0 BEABRO CNc1ccc([C@H]2CCCCN2C(C)=O)cn1 ZINC000072212510 385075701 /nfs/dbraw/zinc/07/57/01/385075701.db2.gz XINVUMHYQFOQNS-GFCCVEGCSA-N 1 0 233.315 2.197 40 0 BEABRO CC(C)[N@@H+]1CCC[C@@H]1c1ccc(N)nc1 ZINC000072212361 385077053 /nfs/dbraw/zinc/07/70/53/385077053.db2.gz QYUXEAIYHUXLDR-LLVKDONJSA-N 1 0 205.305 2.209 40 0 BEABRO CCN(C)c1ncccc1[C@@H]1CCC[N@@H+]1C ZINC000072212761 385078562 /nfs/dbraw/zinc/07/85/62/385078562.db2.gz AXRJDQCCIKNWOH-LBPRGKRZSA-N 1 0 219.332 2.304 40 0 BEABRO CN(C)c1ncccc1[C@H]1CCCC[N@@H+]1C ZINC000072212670 385078587 /nfs/dbraw/zinc/07/85/87/385078587.db2.gz QZVOSAPZSKKLHT-GFCCVEGCSA-N 1 0 219.332 2.304 40 0 BEABRO CCCCCC[NH2+]Cc1cnn(C)c1C ZINC000086551886 385026284 /nfs/dbraw/zinc/02/62/84/385026284.db2.gz FXACPQJZKWEWOK-UHFFFAOYSA-N 1 0 209.337 2.398 40 0 BEABRO c1cc(NC2CC2)ncc1[C@@H]1CCCC[NH2+]1 ZINC000072213790 385083038 /nfs/dbraw/zinc/08/30/38/385083038.db2.gz GKPRFMCAHAATNL-LBPRGKRZSA-N 1 0 217.316 2.471 40 0 BEABRO CCC[NH2+]Cc1cnc(SCC)nc1 ZINC000062717298 385033786 /nfs/dbraw/zinc/03/37/86/385033786.db2.gz FMDVOJDLXNHTSN-UHFFFAOYSA-N 1 0 211.334 2.088 40 0 BEABRO Cc1cc([C@@H](C)[NH3+])cnc1Br ZINC000072221920 385110201 /nfs/dbraw/zinc/11/02/01/385110201.db2.gz WRAYLSYRPBHAGQ-ZCFIWIBFSA-N 1 0 215.094 2.172 40 0 BEABRO CC[C@@H]([NH3+])c1cnc(N2CCCC2)cc1C ZINC000072223482 385112505 /nfs/dbraw/zinc/11/25/05/385112505.db2.gz QFUJZJLYQDNLJD-GFCCVEGCSA-N 1 0 219.332 2.400 40 0 BEABRO CC[C@H]([NH3+])c1cnc(NC2CC2)cc1C ZINC000072223818 385115988 /nfs/dbraw/zinc/11/59/88/385115988.db2.gz XFXJRTAPNTUOPL-NSHDSACASA-N 1 0 205.305 2.374 40 0 BEABRO CC(C)Cc1noc([C@H]2CCC[NH2+]CC2)n1 ZINC000095095440 385122660 /nfs/dbraw/zinc/12/26/60/385122660.db2.gz QJEDNHXFDQTFBB-JTQLQIEISA-N 1 0 223.320 2.125 40 0 BEABRO c1nc(-c2ccc3c(c2)C[NH2+]CC3)cs1 ZINC000072226551 385124738 /nfs/dbraw/zinc/12/47/38/385124738.db2.gz GGSYOGUPKOHWRU-UHFFFAOYSA-N 1 0 216.309 2.456 40 0 BEABRO Cc1ccc2c(c1)C(=O)CC1(CC[NH+](C)CC1)O2 ZINC000165214798 385085272 /nfs/dbraw/zinc/08/52/72/385085272.db2.gz RVXAXAGUXAVPPN-UHFFFAOYSA-N 1 0 245.322 2.425 40 0 BEABRO C[N@@H+]1CCC[C@@H]1c1ccc(N2CCCC2)nc1 ZINC000072215907 385092493 /nfs/dbraw/zinc/09/24/93/385092493.db2.gz ZODYVBOJYKCRPQ-CYBMUJFWSA-N 1 0 231.343 2.449 40 0 BEABRO c1cc(N2CCCCC2)ncc1[C@H]1CCC[NH2+]1 ZINC000072216025 385093057 /nfs/dbraw/zinc/09/30/57/385093057.db2.gz GOHDQMYWCRPNLN-CYBMUJFWSA-N 1 0 231.343 2.496 40 0 BEABRO c1cc(N2CCCCC2)ncc1[C@@H]1CCC[NH2+]1 ZINC000072216024 385094728 /nfs/dbraw/zinc/09/47/28/385094728.db2.gz GOHDQMYWCRPNLN-ZDUSSCGKSA-N 1 0 231.343 2.496 40 0 BEABRO c1ccc2c(c1)CCC[C@@H]([NH+]1CCOCC1)C2 ZINC000031688597 385098218 /nfs/dbraw/zinc/09/82/18/385098218.db2.gz YXHVRKMBBILLSE-OAHLLOKOSA-N 1 0 231.339 2.266 40 0 BEABRO Cc1nc(N(C)C)ccc1[C@H]1CCCC[NH2+]1 ZINC000072218753 385104875 /nfs/dbraw/zinc/10/48/75/385104875.db2.gz IDLARQBNWVZAHE-GFCCVEGCSA-N 1 0 219.332 2.271 40 0 BEABRO Cc1ccc([C@@H](O)C2(C[NH3+])CC(C)C2)cc1 ZINC000085396031 385162684 /nfs/dbraw/zinc/16/26/84/385162684.db2.gz XKTXEBKSAMKSPG-HRDQMINSSA-N 1 0 219.328 2.403 40 0 BEABRO Clc1ccccc1-n1cc2c(n1)CC[NH2+]C2 ZINC000096510407 385248779 /nfs/dbraw/zinc/24/87/79/385248779.db2.gz FRUYXTOZPPPIKH-UHFFFAOYSA-N 1 0 233.702 2.171 40 0 BEABRO CC(C)CN1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000096510383 385250500 /nfs/dbraw/zinc/25/05/00/385250500.db2.gz LOHCHQSLZBLPDT-GFCCVEGCSA-N 1 0 218.344 2.280 40 0 BEABRO Cc1ccc(CCN2CCCC[C@@H]2C[NH3+])cc1 ZINC000096523602 385266201 /nfs/dbraw/zinc/26/62/01/385266201.db2.gz IYMYONPQPCUSEO-OAHLLOKOSA-N 1 0 232.371 2.351 40 0 BEABRO CCCC[NH2+]Cc1ccc(O)c(OC)c1 ZINC000019906912 385514687 /nfs/dbraw/zinc/51/46/87/385514687.db2.gz VAUHVWKMNXLDMD-UHFFFAOYSA-N 1 0 209.289 2.291 40 0 BEABRO CO[C@H](C[NH3+])c1ccccc1C(F)(F)F ZINC000062711438 385688882 /nfs/dbraw/zinc/68/88/82/385688882.db2.gz OQLNATQLVWUMTQ-SECBINFHSA-N 1 0 219.206 2.352 40 0 BEABRO CCOc1ccc([C@@H](C[NH2+]C)OCC)cc1 ZINC000062711548 385689130 /nfs/dbraw/zinc/68/91/30/385689130.db2.gz ANKDXIJKQSGIHK-CYBMUJFWSA-N 1 0 223.316 2.382 40 0 BEABRO [NH3+]C[C@]1(CO)C[C@@H]1c1ccc(Cl)cc1Cl ZINC000062713469 385698122 /nfs/dbraw/zinc/69/81/22/385698122.db2.gz RGVYVANDZZIXKK-KOLCDFICSA-N 1 0 246.137 2.418 40 0 BEABRO C[C@H](N[C@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000242688179 385747433 /nfs/dbraw/zinc/74/74/33/385747433.db2.gz VJNYIIHZUKMQSU-UHTWSYAYSA-N 1 0 204.317 2.217 40 0 BEABRO C[N@H+](CC1CC1)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257225630 385755847 /nfs/dbraw/zinc/75/58/47/385755847.db2.gz FHBWFWJZDLFLIS-CQSZACIVSA-N 1 0 245.370 2.392 40 0 BEABRO C[N@H+](CC1CC1)[C@H]1CCCN(c2ccccn2)C1 ZINC000257225629 385756348 /nfs/dbraw/zinc/75/63/48/385756348.db2.gz FHBWFWJZDLFLIS-AWEZNQCLSA-N 1 0 245.370 2.392 40 0 BEABRO Cc1ccnc([C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000257288415 385761000 /nfs/dbraw/zinc/76/10/00/385761000.db2.gz PUBYBIWMKZJSQV-LBPRGKRZSA-N 1 0 219.332 2.373 40 0 BEABRO CNc1nc([C@H]2CCCC[NH2+]2)c2sccn12 ZINC000257290573 385762296 /nfs/dbraw/zinc/76/22/96/385762296.db2.gz QDLUJRWFGSJEDH-MRVPVSSYSA-N 1 0 236.344 2.252 40 0 BEABRO C[C@H](F)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000261506720 385816257 /nfs/dbraw/zinc/81/62/57/385816257.db2.gz AILCJMUBAAZTJT-WCQYABFASA-N 1 0 223.291 2.245 40 0 BEABRO CCC[C@H](C(=O)OC)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022538678 385919927 /nfs/dbraw/zinc/91/99/27/385919927.db2.gz NPBBRGNFLTWNPV-GRYCIOLGSA-N 1 0 227.348 2.306 40 0 BEABRO CCOc1cccc2c(NCC[NH3+])ccnc12 ZINC000222681241 386058581 /nfs/dbraw/zinc/05/85/81/386058581.db2.gz DLBATWSSEHNZRP-UHFFFAOYSA-N 1 0 231.299 2.004 40 0 BEABRO CC[C@@H](C)n1ccc(C[NH2+]CCOC)c1 ZINC000223693186 386093364 /nfs/dbraw/zinc/09/33/64/386093364.db2.gz SRWPSQOWMWRNNO-LLVKDONJSA-N 1 0 210.321 2.195 40 0 BEABRO Cc1ccc(C[NH2+]Cc2ccco2)n1C ZINC000226018949 386232669 /nfs/dbraw/zinc/23/26/69/386232669.db2.gz OGYKCNVUQFLMFW-UHFFFAOYSA-N 1 0 204.273 2.216 40 0 BEABRO CCc1ccc(C[NH2+]C[C@H]2CCCO2)n1CC ZINC000226019722 386233321 /nfs/dbraw/zinc/23/33/21/386233321.db2.gz GCXHNYCMTFBDNT-CQSZACIVSA-N 1 0 236.359 2.339 40 0 BEABRO [NH3+][C@H]1CCCC[C@H]1NCc1ccc(F)cc1 ZINC000218856937 386302829 /nfs/dbraw/zinc/30/28/29/386302829.db2.gz LRGCLQBNHQXGJI-QWHCGFSZSA-N 1 0 222.307 2.185 40 0 BEABRO CCOc1ccc(N[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000218877438 386425330 /nfs/dbraw/zinc/42/53/30/386425330.db2.gz ADZZSJMQSBBVFR-QWHCGFSZSA-N 1 0 220.316 2.377 40 0 BEABRO [NH3+][C@@H]1CCC[C@H]1Nc1c(F)cccc1F ZINC000218882946 386506255 /nfs/dbraw/zinc/50/62/55/386506255.db2.gz NAFSIPKLEYJQMA-NXEZZACHSA-N 1 0 212.243 2.257 40 0 BEABRO [NH3+][C@H]1CCC[C@@H]1Nc1c(F)cccc1F ZINC000218882875 386506348 /nfs/dbraw/zinc/50/63/48/386506348.db2.gz NAFSIPKLEYJQMA-UWVGGRQHSA-N 1 0 212.243 2.257 40 0 BEABRO [NH3+][C@H]1CCC[C@@H]1Nc1ccc(F)c(F)c1 ZINC000218884851 386511130 /nfs/dbraw/zinc/51/11/30/386511130.db2.gz SGLYJMFKFVWGQM-QWRGUYRKSA-N 1 0 212.243 2.257 40 0 BEABRO Nc1[nH+]ccn1-c1ccc(Br)cc1 ZINC000098213877 386581426 /nfs/dbraw/zinc/58/14/26/386581426.db2.gz DSBRUGGTVTUPFU-UHFFFAOYSA-N 1 0 238.088 2.217 40 0 BEABRO CO[C@H](C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000003634181 386679077 /nfs/dbraw/zinc/67/90/77/386679077.db2.gz FTABFGUDULLKPD-SECBINFHSA-N 1 0 219.206 2.352 40 0 BEABRO Fc1cccc(CN2CC[C@@]23CCC[NH2+]C3)c1 ZINC000096239480 387024036 /nfs/dbraw/zinc/02/40/36/387024036.db2.gz BTTLYIOIYJWSRK-CQSZACIVSA-N 1 0 234.318 2.154 40 0 BEABRO CC(C)C(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC000067209469 387096414 /nfs/dbraw/zinc/09/64/14/387096414.db2.gz CBXDPKOKEXEVSD-CYBMUJFWSA-N 1 0 246.354 2.162 40 0 BEABRO Nc1nc(CC(=[NH2+])NCc2ccccc2)cs1 ZINC000026470182 387391606 /nfs/dbraw/zinc/39/16/06/387391606.db2.gz YWPXCFYSZJQCSN-UHFFFAOYSA-N 1 0 246.339 2.035 40 0 BEABRO Cc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)o1 ZINC000072324615 387648735 /nfs/dbraw/zinc/64/87/35/387648735.db2.gz UYQGLBTWCVURPF-DGCLKSJQSA-N 1 0 234.343 2.257 40 0 BEABRO [NH3+][C@H]1CC[C@H](Nc2ncnc3ccccc32)CC1 ZINC000100582427 387852451 /nfs/dbraw/zinc/85/24/51/387852451.db2.gz CJNYIVKKOKHUIN-PHIMTYICSA-N 1 0 242.326 2.312 40 0 BEABRO CCCCC[NH2+]Cc1ccn(CCF)n1 ZINC000256051290 387858773 /nfs/dbraw/zinc/85/87/73/387858773.db2.gz INVZKJNZMXEKHJ-UHFFFAOYSA-N 1 0 213.300 2.132 40 0 BEABRO CCCC[NH2+]Cc1ccn(CC(C)C)n1 ZINC000256051266 387859398 /nfs/dbraw/zinc/85/93/98/387859398.db2.gz ILOOAVSRQCUZBJ-UHFFFAOYSA-N 1 0 209.337 2.429 40 0 BEABRO CCCCC[NH2+]Cc1cnn(CCF)c1 ZINC000256052550 387860901 /nfs/dbraw/zinc/86/09/01/387860901.db2.gz NUBSDEWWMVSEGM-UHFFFAOYSA-N 1 0 213.300 2.132 40 0 BEABRO CC(C)c1cc(C[NH2+]Cc2cccn2C)n(C)n1 ZINC000256054051 387862087 /nfs/dbraw/zinc/86/20/87/387862087.db2.gz UTNHCGFBSCQTMI-UHFFFAOYSA-N 1 0 246.358 2.172 40 0 BEABRO CCCn1cc(C[NH2+]Cc2cccn2C)c(C)n1 ZINC000256054591 387862851 /nfs/dbraw/zinc/86/28/51/387862851.db2.gz WXLNNEUGKFRNJR-UHFFFAOYSA-N 1 0 246.358 2.230 40 0 BEABRO CC(C)(C)OC(=O)NC12CCC(C[NH3+])(CC1)C2 ZINC000306145678 387864741 /nfs/dbraw/zinc/86/47/41/387864741.db2.gz NIMYUYPOQOYECS-UHFFFAOYSA-N 1 0 240.347 2.173 40 0 BEABRO Cc1cc(C)c(C(=O)NCCC[NH+](C)C)cc1C ZINC000074951581 177846226 /nfs/dbraw/zinc/84/62/26/177846226.db2.gz YNXGDSVEJDXSGU-UHFFFAOYSA-N 1 0 248.370 2.293 40 0 BEABRO Cc1cccc([C@H](C[NH3+])N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000216110053 388353627 /nfs/dbraw/zinc/35/36/27/388353627.db2.gz CLNKIICQKRMIRN-YDHLFZDLSA-N 1 0 248.370 2.104 40 0 BEABRO C[C@@H]1C[C@@]1(C[NH3+])[C@@H](O)c1ccc(Cl)cc1 ZINC000216576046 388357739 /nfs/dbraw/zinc/35/77/39/388357739.db2.gz FMRUFLXRUIWCBX-ZHAHWJHGSA-N 1 0 225.719 2.358 40 0 BEABRO CC[C@@H]1[NH2+]CCC[C@@H]1[C@H](O)c1ccccc1 ZINC000095095232 256641568 /nfs/dbraw/zinc/64/15/68/256641568.db2.gz HTUWJVPCNGAXBL-MELADBBJSA-N 1 0 219.328 2.498 40 0 BEABRO CC(C)c1ccc([C@H]2CN(C)C[C@@H]2[NH3+])cc1 ZINC000217660966 388378619 /nfs/dbraw/zinc/37/86/19/388378619.db2.gz RZAQKRLKXBQPIV-KGLIPLIRSA-N 1 0 218.344 2.166 40 0 BEABRO C[C@H](O[C@@H]1CC[NH2+]C1)c1cccnc1Cl ZINC000242750729 388400823 /nfs/dbraw/zinc/40/08/23/388400823.db2.gz ZXXKJEMOKZMKSL-DTWKUNHWSA-N 1 0 226.707 2.175 40 0 BEABRO CCn1c2ccncc2nc1[C@@H]([NH3+])C(C)C ZINC000084132490 256757952 /nfs/dbraw/zinc/75/79/52/256757952.db2.gz GNRYAGHBJKSRMY-NSHDSACASA-N 1 0 218.304 2.107 40 0 BEABRO COC[C@]1(c2ccccc2)CC[C@@H]([NH3+])C1 ZINC000217812350 388574047 /nfs/dbraw/zinc/57/40/47/388574047.db2.gz XSPOKWJVSZYKEQ-OLZOCXBDSA-N 1 0 205.301 2.082 40 0 BEABRO CC[C@](C)(C(=O)OC)[N@@H+]1CCCC[C@H]1C ZINC000248210258 388675356 /nfs/dbraw/zinc/67/53/56/388675356.db2.gz CTPRENUGVAXXEO-ZYHUDNBSSA-N 1 0 213.321 2.203 40 0 BEABRO [NH3+]C[C@@H](CC(=O)N1CCCCC1)c1ccccc1 ZINC000057535799 388627448 /nfs/dbraw/zinc/62/74/48/388627448.db2.gz ADVPMOGQHPMFOD-CQSZACIVSA-N 1 0 246.354 2.132 40 0 BEABRO [NH3+]Cc1c[nH]c2cccc(Br)c12 ZINC000020269179 388652038 /nfs/dbraw/zinc/65/20/38/388652038.db2.gz DNFPTPYVRKXXIO-UHFFFAOYSA-N 1 0 225.089 2.389 40 0 BEABRO C[C@@H](O[C@H]1CC[NH2+]C1)c1ccc(Cl)nc1 ZINC000252479943 388652679 /nfs/dbraw/zinc/65/26/79/388652679.db2.gz BQKOJNOSEHXUHY-SCZZXKLOSA-N 1 0 226.707 2.175 40 0 BEABRO [NH3+]C[C@@]1(CO)C[C@H]1c1ccccc1C(F)(F)F ZINC000062713603 388655448 /nfs/dbraw/zinc/65/54/48/388655448.db2.gz GFGAEVYBDILOJL-WDEREUQCSA-N 1 0 245.244 2.130 40 0 BEABRO [NH3+][C@@H](c1ccc2c(n1)CCCC2)C1CC1 ZINC000242463599 388741548 /nfs/dbraw/zinc/74/15/48/388741548.db2.gz DFLZPJFDHSIODM-CYBMUJFWSA-N 1 0 202.301 2.370 40 0 BEABRO COc1cccc(N2CC[NH2+][C@@H]3CCC[C@@H]32)c1 ZINC000225716528 388841038 /nfs/dbraw/zinc/84/10/38/388841038.db2.gz WXARDROQBJKFJM-KGLIPLIRSA-N 1 0 232.327 2.026 40 0 BEABRO CC(C)[C@@H]([NH3+])c1nc2cnccc2n1C1CC1 ZINC000088866290 322814806 /nfs/dbraw/zinc/81/48/06/322814806.db2.gz DODRXJUACMFNOC-GFCCVEGCSA-N 1 0 230.315 2.422 40 0 BEABRO CCN1C[C@H]2CC[NH2+][C@@H]2c2ccccc21 ZINC000004202988 132243146 /nfs/dbraw/zinc/24/31/46/132243146.db2.gz VLWRWRLWJUVOTM-MFKMUULPSA-N 1 0 202.301 2.177 40 0 BEABRO c1ccc(N2CC[NH2+][C@@H]3CCCC[C@H]32)cc1 ZINC000218831491 132290837 /nfs/dbraw/zinc/29/08/37/132290837.db2.gz DWNQWSQAKMLZFG-ZIAGYGMSSA-N 1 0 216.328 2.407 40 0 BEABRO CC1CCN(c2cncc([C@@H]3CCC[NH2+]3)n2)CC1 ZINC000072386514 132396904 /nfs/dbraw/zinc/39/69/04/132396904.db2.gz YHFWHEYQAPZVJG-LBPRGKRZSA-N 1 0 246.358 2.137 40 0 BEABRO CC1(c2cc[nH]n2)CCN(c2cc[nH+]cc2)CC1 ZINC000072381380 132397558 /nfs/dbraw/zinc/39/75/58/132397558.db2.gz ASRYSGPQKGQTRS-UHFFFAOYSA-N 1 0 242.326 2.363 40 0 BEABRO Cn1c(N)[nH+]cc1-c1ccccc1Cl ZINC000082169094 134943154 /nfs/dbraw/zinc/94/31/54/134943154.db2.gz RCGRDABTUBCDRH-UHFFFAOYSA-N 1 0 207.664 2.323 40 0 BEABRO O=C(Nc1ccccc1)[C@H]1CCCCC[NH2+]1 ZINC000080992914 135385005 /nfs/dbraw/zinc/38/50/05/135385005.db2.gz ZAVKTXQFZUTIQZ-GFCCVEGCSA-N 1 0 218.300 2.157 40 0 BEABRO COc1ccc(NC(=O)[C@H]2CCCCC[NH2+]2)cc1 ZINC000080992901 135385174 /nfs/dbraw/zinc/38/51/74/135385174.db2.gz QCFNIMQVJGKILK-CYBMUJFWSA-N 1 0 248.326 2.166 40 0 BEABRO Cc1ccc(C)c(CN2CCC[C@@H]([NH3+])C2)c1 ZINC000038539875 398013278 /nfs/dbraw/zinc/01/32/78/398013278.db2.gz OCNPVWVNUJIZCQ-CQSZACIVSA-N 1 0 218.344 2.227 40 0 BEABRO CCCC[NH2+]Cc1cc(C)nn1CCC ZINC000256049823 398040638 /nfs/dbraw/zinc/04/06/38/398040638.db2.gz BQDAPVOPIZSZLB-UHFFFAOYSA-N 1 0 209.337 2.491 40 0 BEABRO CC(C)[C@H]([NH3+])c1nnc(-c2ccccc2)[nH]1 ZINC000042013490 398130176 /nfs/dbraw/zinc/13/01/76/398130176.db2.gz LDNJWITWIYNEGN-JTQLQIEISA-N 1 0 216.288 2.128 40 0 BEABRO CC(C)OCCC[NH2+]CCC(=O)OC(C)(C)C ZINC000047219009 167220282 /nfs/dbraw/zinc/22/02/82/167220282.db2.gz UTASNNLEGQWGLZ-UHFFFAOYSA-N 1 0 245.363 2.123 40 0 BEABRO CC(C)OC[C@@H]1[NH2+]CCc2sccc21 ZINC000096526590 167264131 /nfs/dbraw/zinc/26/41/31/167264131.db2.gz HNOFBYREPLZIIG-JTQLQIEISA-N 1 0 211.330 2.360 40 0 BEABRO CC(C)C[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000256049714 167008847 /nfs/dbraw/zinc/00/88/47/167008847.db2.gz BBXMXRGAFIHECE-UHFFFAOYSA-N 1 0 235.253 2.185 40 0 BEABRO CC(C)C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000005817295 167010196 /nfs/dbraw/zinc/01/01/96/167010196.db2.gz KEHJCUJFTGOGDQ-UHFFFAOYSA-N 1 0 207.273 2.161 40 0 BEABRO CC(C)C[NH2+]Cc1cccc2c1CCN2C ZINC000217518225 167010683 /nfs/dbraw/zinc/01/06/83/167010683.db2.gz FWSIBYXSOSPIPY-UHFFFAOYSA-N 1 0 218.344 2.425 40 0 BEABRO CC(C)[NH2+][C@@H]1c2cccc(F)c2[C@@H]2C[NH2+]C[C@@H]21 ZINC000096205742 167136649 /nfs/dbraw/zinc/13/66/49/167136649.db2.gz PVBTWVWBIUUVOP-UHIISALHSA-N 1 0 234.318 2.181 40 0 BEABRO CC(C)O[C@@H](C[NH3+])c1cc(F)ccc1F ZINC000062711794 167281585 /nfs/dbraw/zinc/28/15/85/167281585.db2.gz XVBJFFJOMWMDJE-NSHDSACASA-N 1 0 215.243 2.390 40 0 BEABRO CC[NH+](CC)Cc1cccc(OC(C)=O)c1 ZINC000004691873 169790945 /nfs/dbraw/zinc/79/09/45/169790945.db2.gz CXSHTYFLRCKWTN-UHFFFAOYSA-N 1 0 221.300 2.454 40 0 BEABRO Cn1cc(-c2ccc(Cl)cc2)[nH+]c1N ZINC000199560659 411208120 /nfs/dbraw/zinc/20/81/20/411208120.db2.gz IFCLSJWGIYDJMR-UHFFFAOYSA-N 1 0 207.664 2.323 40 0 BEABRO CO[C@](C(N)=[NH2+])(c1ccccc1)C(F)(F)F ZINC000199556549 411208188 /nfs/dbraw/zinc/20/81/88/411208188.db2.gz WFNMKCBIWAWLBF-VIFPVBQESA-N 1 0 232.205 2.027 40 0 BEABRO CC(C)(C)OC(=O)NC1(C)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000575441363 411297926 /nfs/dbraw/zinc/29/79/26/411297926.db2.gz HARRTJTXPGGUIH-HWYHXSKPSA-N 1 0 240.347 2.184 40 0 BEABRO CC1CC(C[NH3+])([C@@H](O)c2ccccc2F)C1 ZINC000085396000 168139471 /nfs/dbraw/zinc/13/94/71/168139471.db2.gz BSDGLZYPHWFEPA-YHECAPGISA-N 1 0 223.291 2.234 40 0 BEABRO CCC(=O)C[C@@H]1CCC[C@@H](CC(=O)CC)[NH2+]1 ZINC000001713140 168210563 /nfs/dbraw/zinc/21/05/63/168210563.db2.gz ICQDSEWZOQKQSL-QWRGUYRKSA-N 1 0 225.332 2.236 40 0 BEABRO CCC(=O)NCc1ccc(-n2ccnc2C)cc1 ZINC000225358536 168232973 /nfs/dbraw/zinc/23/29/73/168232973.db2.gz CIGMUFWLBKSSKN-UHFFFAOYSA-N 1 0 243.310 2.207 40 0 BEABRO CC[NH2+]CC[C@H](CCO)c1ccccc1 ZINC000217799397 170117133 /nfs/dbraw/zinc/11/71/33/170117133.db2.gz MZDAUXSVJZKTDF-CYBMUJFWSA-N 1 0 207.317 2.152 40 0 BEABRO CC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000072194412 170119868 /nfs/dbraw/zinc/11/98/68/170119868.db2.gz DJWOKZBYDLULCT-NSHDSACASA-N 1 0 242.363 2.243 40 0 BEABRO CC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000072194413 170122972 /nfs/dbraw/zinc/12/29/72/170122972.db2.gz DJWOKZBYDLULCT-LLVKDONJSA-N 1 0 242.363 2.243 40 0 BEABRO CC[NH2+][C@@H](C)C(=O)c1ccc(C)c(C)c1 ZINC000041608568 170137903 /nfs/dbraw/zinc/13/79/03/170137903.db2.gz AOXOTNQJKCPNGK-NSHDSACASA-N 1 0 205.301 2.484 40 0 in-vitro BEABRO CC[NH2+][C@H](Cc1ccccc1)[C@@H]1CCCO1 ZINC000004626713 170162458 /nfs/dbraw/zinc/16/24/58/170162458.db2.gz DOFCLOLKFGSRTG-KGLIPLIRSA-N 1 0 219.328 2.386 40 0 in-man BEABRO CCOCCC[NH2+]Cc1ccnn1CC(C)C ZINC000256052579 170381380 /nfs/dbraw/zinc/38/13/80/170381380.db2.gz NXGOFZWVDJFPRF-UHFFFAOYSA-N 1 0 239.363 2.055 40 0 BEABRO CCOCC[N@@H+]1CCCC[C@H]1c1n[nH]cc1C ZINC000257260433 170397533 /nfs/dbraw/zinc/39/75/33/170397533.db2.gz LCUUZVGZSSCPFU-LBPRGKRZSA-N 1 0 237.347 2.282 40 0 BEABRO CCO[C@H]1COC2(C1)CC[NH+](CC1CC1)CC2 ZINC000096048116 170505429 /nfs/dbraw/zinc/50/54/29/170505429.db2.gz VKQHZEVAOQSGGB-CYBMUJFWSA-N 1 0 239.359 2.056 40 0 BEABRO CC[C@@H](C)[NH2+]C[C@H](C)C(=O)OC(C)(C)C ZINC000047219032 170752479 /nfs/dbraw/zinc/75/24/79/170752479.db2.gz LPQFBRZVCFPQSV-VHSXEESVSA-N 1 0 215.337 2.352 40 0 BEABRO CC[C@@H]1[NH2+][C@@H]1CCOCc1ccccc1 ZINC000169804289 171150319 /nfs/dbraw/zinc/15/03/19/171150319.db2.gz XYJHFZOMTQYRAI-QWHCGFSZSA-N 1 0 205.301 2.344 40 0 BEABRO CC[C@@](C)(C(=O)OC)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000022123497 171164152 /nfs/dbraw/zinc/16/41/52/171164152.db2.gz IMWNBBNBQVEZCR-WZRBSPASSA-N 1 0 227.348 2.306 40 0 BEABRO CC[C@@](C)(C(=O)OC)[N@@H+]1CCCC[C@@H]1C ZINC000022123467 171164413 /nfs/dbraw/zinc/16/44/13/171164413.db2.gz CTPRENUGVAXXEO-JQWIXIFHSA-N 1 0 213.321 2.203 40 0 BEABRO CC[C@H](C(=O)N1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000067800417 171224880 /nfs/dbraw/zinc/22/48/80/171224880.db2.gz MORJXNXBCOPEET-JSGCOSHPSA-N 1 0 246.354 2.001 40 0 BEABRO CCn1c2ccccc2nc1OC1CC[NH2+]CC1 ZINC000043220239 172146453 /nfs/dbraw/zinc/14/64/53/172146453.db2.gz RTFFHLDGSPDNIQ-UHFFFAOYSA-N 1 0 245.326 2.187 40 0 BEABRO CCn1cc(C[NH2+]CCN(C)C)c2ccccc21 ZINC000020968451 172170425 /nfs/dbraw/zinc/17/04/25/172170425.db2.gz SRDHZAJYKQCBRW-UHFFFAOYSA-N 1 0 245.370 2.312 40 0 BEABRO CCn1cc(C[NH2+]Cc2ccc(F)cc2)cn1 ZINC000002536067 172172995 /nfs/dbraw/zinc/17/29/95/172172995.db2.gz QGSUOHMTKJCOIX-UHFFFAOYSA-N 1 0 233.290 2.332 40 0 BEABRO CN(CC[C@H]1CCCC[NH2+]1)C(=O)OC(C)(C)C ZINC000019843835 172779124 /nfs/dbraw/zinc/77/91/24/172779124.db2.gz SIXXXTZPDOPMFL-LLVKDONJSA-N 1 0 242.363 2.386 40 0 BEABRO C[N@@H+]1CCC[C@@H]1c1cccc(N2CCCC2)n1 ZINC000072386403 173036548 /nfs/dbraw/zinc/03/65/48/173036548.db2.gz ITBAWELFJHINFA-CYBMUJFWSA-N 1 0 231.343 2.449 40 0 BEABRO Cn1nccc1-c1cccc([C@H]2CCC[N@@H+]2C)n1 ZINC000257244342 173037144 /nfs/dbraw/zinc/03/71/44/173037144.db2.gz IKWMNDVBUZZONA-CYBMUJFWSA-N 1 0 242.326 2.249 40 0 BEABRO C[N@@H+]1CCC[C@H](Cc2ccc(Cl)nn2)C1 ZINC000072363349 173041030 /nfs/dbraw/zinc/04/10/30/173041030.db2.gz LPIPZUYOUQPPNJ-SECBINFHSA-N 1 0 225.723 2.014 40 0 BEABRO C[N@@H+]1CC[C@@]2(CCN(Cc3cccs3)C2)C1 ZINC000096268653 173140987 /nfs/dbraw/zinc/14/09/87/173140987.db2.gz FXAUFSFRSZAMEP-CYBMUJFWSA-N 1 0 236.384 2.276 40 0 BEABRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OC(=O)c1ccccc1)C2 ZINC000100008865 173207200 /nfs/dbraw/zinc/20/72/00/173207200.db2.gz XQJMXPAEFMWDOZ-WDNDVIMCSA-N 1 0 245.322 2.469 40 0 in-vitro BEABRO CNc1cc(C2CC2)[nH+]c(NC(C)(C)C)n1 ZINC000328962566 173209350 /nfs/dbraw/zinc/20/93/50/173209350.db2.gz BJELMLOMFGJZMR-UHFFFAOYSA-N 1 0 220.320 2.028 40 0 BEABRO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000040740304 173324447 /nfs/dbraw/zinc/32/44/47/173324447.db2.gz WVRGSCNPWBJQCH-FGWVZKOKSA-N 1 0 240.347 2.136 40 0 BEABRO C[NH2+]CC[C@@H](CCO)c1cccc(C)c1 ZINC000217800839 173358607 /nfs/dbraw/zinc/35/86/07/173358607.db2.gz WKFGAMDHOUIIDV-LBPRGKRZSA-N 1 0 207.317 2.071 40 0 BEABRO C[NH2+]C[C@@H](OC(C)C)c1cccc(OC)c1 ZINC000050483675 173366342 /nfs/dbraw/zinc/36/63/42/173366342.db2.gz ZNPWOLXFTHGPMO-CYBMUJFWSA-N 1 0 223.316 2.381 40 0 BEABRO C[NH2+]C[C@@H](OC)c1cccc(Br)c1 ZINC000050482393 173366759 /nfs/dbraw/zinc/36/67/59/173366759.db2.gz NHIDADDJZRNOOE-SNVBAGLBSA-N 1 0 244.132 2.356 40 0 BEABRO C[NH2+]C[C@H]1C[C@@H]1c1cccc(OC)c1OC ZINC000054588718 173382577 /nfs/dbraw/zinc/38/25/77/173382577.db2.gz VGQQRYRFCGMFFP-KOLCDFICSA-N 1 0 221.300 2.027 40 0 BEABRO COCCC[NH2+]Cc1cnn(C2CCCC2)c1 ZINC000256051871 174248480 /nfs/dbraw/zinc/24/84/80/174248480.db2.gz KVAWEPBUJUPSGI-UHFFFAOYSA-N 1 0 237.347 2.124 40 0 BEABRO COCCCn1cccc1C[NH+]1CCCC1 ZINC000225309157 174266225 /nfs/dbraw/zinc/26/62/25/174266225.db2.gz HLOIGWNOFXAXCO-UHFFFAOYSA-N 1 0 222.332 2.120 40 0 BEABRO COCO[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1 ZINC000082170001 174432102 /nfs/dbraw/zinc/43/21/02/174432102.db2.gz KLSHYHGEMOHBQU-KGLIPLIRSA-N 1 0 235.327 2.318 40 0 BEABRO COC[C@]1(c2ccccc2)CC[C@H]([NH3+])C1 ZINC000217812538 174617962 /nfs/dbraw/zinc/61/79/62/174617962.db2.gz XSPOKWJVSZYKEQ-STQMWFEESA-N 1 0 205.301 2.082 40 0 BEABRO COc1cc2cccnc2c(NCCC[NH3+])c1 ZINC000001683350 175001465 /nfs/dbraw/zinc/00/14/65/175001465.db2.gz HXYREIXFCQCQAD-UHFFFAOYSA-N 1 0 231.299 2.004 40 0 BEABRO COc1cc(SC)c(OC)cc1C[C@@H](C)[NH3+] ZINC000003652062 175013443 /nfs/dbraw/zinc/01/34/43/175013443.db2.gz COBYBOVXXDQRAU-MRVPVSSYSA-N 1 0 241.356 2.315 40 0 BEABRO COc1ccc(C)cc1C[NH2+]C[C@H]1CCCO1 ZINC000035161740 175075800 /nfs/dbraw/zinc/07/58/00/175075800.db2.gz IZIWMECMESLAIK-CYBMUJFWSA-N 1 0 235.327 2.272 40 0 BEABRO COc1ccc(CCCN2CCC[C@@H]([NH3+])C2)cc1 ZINC000096523530 175089857 /nfs/dbraw/zinc/08/98/57/175089857.db2.gz MEMLZBJRSGVPGS-CQSZACIVSA-N 1 0 248.370 2.051 40 0 BEABRO COc1ccc(CN[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000218855253 175112247 /nfs/dbraw/zinc/11/22/47/175112247.db2.gz KQAPSBRQIROFNT-KBPBESRZSA-N 1 0 234.343 2.055 40 0 BEABRO COc1ccc(OC)c(N2CCCC2=[NH2+])c1 ZINC000020443924 175166113 /nfs/dbraw/zinc/16/61/13/175166113.db2.gz ANHFSPOAEZFLHD-UHFFFAOYSA-N 1 0 220.272 2.281 40 0 BEABRO COc1ccc(OC)c([C@@H](C[NH3+])OC(C)C)c1 ZINC000062711761 175167178 /nfs/dbraw/zinc/16/71/78/175167178.db2.gz SJSCPCODLNQNHM-CYBMUJFWSA-N 1 0 239.315 2.129 40 0 BEABRO COc1ccc(OC)c([C@H]2CCC[NH2+]C2)c1 ZINC000038539090 175168993 /nfs/dbraw/zinc/16/89/93/175168993.db2.gz MPOSBTBOIRHAEE-JTQLQIEISA-N 1 0 221.300 2.171 40 0 BEABRO COc1ccc([C@@H]2CCC[NH2+]C2)cc1OC ZINC000020417804 175182637 /nfs/dbraw/zinc/18/26/37/175182637.db2.gz GFRXXGINNMABOS-LLVKDONJSA-N 1 0 221.300 2.171 40 0 BEABRO COc1cccc([C@@H](C)O[C@H]2CC[NH2+]C2)c1 ZINC000096529888 175287932 /nfs/dbraw/zinc/28/79/32/175287932.db2.gz GUMLMPMDKMAAMN-MFKMUULPSA-N 1 0 221.300 2.135 40 0 BEABRO COc1cccc([C@H](C[NH3+])N2CCC(C)CC2)c1 ZINC000038808883 175294449 /nfs/dbraw/zinc/29/44/49/175294449.db2.gz KCIUKWKSSGWHEG-HNNXBMFYSA-N 1 0 248.370 2.427 40 0 BEABRO COc1cccc([C@H](C[NH3+])N2CCC[C@H](C)C2)c1 ZINC000036092662 175294475 /nfs/dbraw/zinc/29/44/75/175294475.db2.gz AEZAJJACDUCXGH-WFASDCNBSA-N 1 0 248.370 2.427 40 0 BEABRO COc1ccccc1OC[C@H]1CCC[N@H+](C)C1 ZINC000072367684 175341716 /nfs/dbraw/zinc/34/17/16/175341716.db2.gz UOPIIEOERRIKDC-LBPRGKRZSA-N 1 0 235.327 2.416 40 0 BEABRO CSc1nnc([C@@H]2CCC[NH2+]C2)n1C(C)C ZINC000005000661 175592947 /nfs/dbraw/zinc/59/29/47/175592947.db2.gz UUHQSIWWVUENAX-SECBINFHSA-N 1 0 240.376 2.048 40 0 BEABRO C[C@@H](C[S@](C)=O)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000195565679 175769764 /nfs/dbraw/zinc/76/97/64/175769764.db2.gz POBCSSLFHBCOJT-KYSMWIMPSA-N 1 0 231.405 2.168 40 0 BEABRO C[C@@H](c1ccccn1)N(C)[C@@H]1CCCC[NH2+]1 ZINC000098181594 176025812 /nfs/dbraw/zinc/02/58/12/176025812.db2.gz DILMUIWNBOBMBE-WCQYABFASA-N 1 0 219.332 2.174 40 0 BEABRO C[C@@H]1CCCC[C@]1(C[NH3+])NC(=O)OC(C)(C)C ZINC000096102472 176089925 /nfs/dbraw/zinc/08/99/25/176089925.db2.gz QNJPTRDSPLWFQA-ZWNOBZJWSA-N 1 0 242.363 2.419 40 0 BEABRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCc1ccccc1 ZINC000072324611 176322346 /nfs/dbraw/zinc/32/23/46/176322346.db2.gz OWXRKLBEDFCSBI-ZBFHGGJFSA-N 1 0 244.382 2.398 40 0 BEABRO C[C@H](O[C@@H]1CC[NH2+]C1)c1ccccc1F ZINC000096529862 177022089 /nfs/dbraw/zinc/02/20/89/177022089.db2.gz JOAPWZVBSXWBCB-VHSXEESVSA-N 1 0 209.264 2.265 40 0 BEABRO C[C@H](c1ccc(F)cc1)N1CCC([NH3+])CC1 ZINC000026514873 177034391 /nfs/dbraw/zinc/03/43/91/177034391.db2.gz PAUUNFCYVMQSCI-SNVBAGLBSA-N 1 0 222.307 2.310 40 0 BEABRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccs1 ZINC000072324424 177280579 /nfs/dbraw/zinc/28/05/79/177280579.db2.gz AUFZOEMMLVUAKW-RYUDHWBXSA-N 1 0 236.384 2.417 40 0 BEABRO C[C@H]1C[C@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2O1 ZINC000096070511 177386724 /nfs/dbraw/zinc/38/67/24/177386724.db2.gz PDXDTMUYPGKYHA-UBHSHLNASA-N 1 0 232.327 2.081 40 0 BEABRO CN(C)C(=O)C[C@@H](c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000072208319 262721989 /nfs/dbraw/zinc/72/19/89/262721989.db2.gz GMIWDRXKQPCEEO-KBPBESRZSA-N 1 0 246.354 2.001 40 0 BEABRO CC(C)[C@H]1CC[C@@H](C)C[C@@]1(O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000263584193 490277480 /nfs/dbraw/zinc/27/74/80/490277480.db2.gz LWULXJSEMSUKBR-JEWKUQAESA-N 1 0 237.387 2.275 40 0 BEABRO CC(C)[C@H]1CO[C@]2(CCN(Cc3c[nH]cn3)C2)C1 ZINC000096072030 490360400 /nfs/dbraw/zinc/36/04/00/490360400.db2.gz RVPDKXPIDLLUSJ-TZMCWYRMSA-N 1 0 249.358 2.047 40 0 BEABRO [NH3+][C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000020495011 491103825 /nfs/dbraw/zinc/10/38/25/491103825.db2.gz CKKVFLXFSLUBDB-NSHDSACASA-N 1 0 224.735 2.263 40 0 BEABRO CCn1nccc1C[NH2+]Cc1cccc(OC)c1 ZINC000002536116 523728618 /nfs/dbraw/zinc/72/86/18/523728618.db2.gz MGWBZUHFILLFAX-UHFFFAOYSA-N 1 0 245.326 2.201 40 0 BEABRO Cc1cc(C[NH3+])c(Br)cc1F ZINC000228963527 524671072 /nfs/dbraw/zinc/67/10/72/524671072.db2.gz PFXZKPBQYLFOFO-UHFFFAOYSA-N 1 0 218.069 2.355 40 0 BEABRO C[C@@H]1C[C@H]2[C@H](C[C@@H](C(F)(F)F)C[C@H]2C[NH3+])O1 ZINC000242495140 525512730 /nfs/dbraw/zinc/51/27/30/525512730.db2.gz FWJZILYJODZJNY-KBDSZGMXSA-N 1 0 237.265 2.327 40 0 BEABRO C[C@@H]1O[C@@H](CC[NH3+])C[C@H]1Cc1ccccc1 ZINC000252550348 525603671 /nfs/dbraw/zinc/60/36/71/525603671.db2.gz SKEWEKXQTREGSI-YUTCNCBUSA-N 1 0 219.328 2.372 40 0 BEABRO NC(=[NH2+])Cc1c(F)cccc1C(F)(F)F ZINC000084931410 526817921 /nfs/dbraw/zinc/81/79/21/526817921.db2.gz ASOVKHDOKLJUJL-UHFFFAOYSA-N 1 0 220.169 2.323 40 0 BEABRO NC(=[NH2+])Cc1ccc(F)c(C(F)(F)F)c1 ZINC000228916369 526818176 /nfs/dbraw/zinc/81/81/76/526818176.db2.gz GJUGCBMWZKOBIW-UHFFFAOYSA-N 1 0 220.169 2.323 40 0 BEABRO NC(=[NH2+])c1ccc(C(F)(F)F)c(F)c1 ZINC000147998376 526822352 /nfs/dbraw/zinc/82/23/52/526822352.db2.gz NLZGCTAVRJBVFN-UHFFFAOYSA-N 1 0 206.142 2.129 40 0 BEABRO N[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000199548542 527421676 /nfs/dbraw/zinc/42/16/76/527421676.db2.gz ZXBLFXOIZZZBHD-LLVKDONJSA-N 1 0 244.260 2.152 40 0 BEABRO CC1=C2C=CC(Br)C=C2C[NH2+]1 ZINC001560405382 991467744 /nfs/dbraw/zinc/46/77/44/991467744.db2.gz UBDQOZVOZOJOIP-UHFFFAOYSA-N 1 0 211.082 2.287 40 0 BEABRO N[C@@H](c1ccccc1)C([NH3+])c1ccccc1 ZINC001560408637 991468784 /nfs/dbraw/zinc/46/87/84/991468784.db2.gz DQARJSNIHJRGIK-ZDUSSCGKSA-N 1 0 211.288 2.225 40 0 BEABRO Cc1cc(C[N@@H+]2CC[C@@H](O)C2)ccc1Cl ZINC000038538888 178000970 /nfs/dbraw/zinc/00/09/70/178000970.db2.gz ZDMRHYGDMJRQCS-LLVKDONJSA-N 1 0 225.719 2.215 40 0 BEABRO Cc1cc2nsnc2c(C[n+]2ccccc2)c1 ZINC000000326336 178059211 /nfs/dbraw/zinc/05/92/11/178059211.db2.gz FWGNGYUKPXJGQP-UHFFFAOYSA-N 1 0 242.327 2.336 40 0 BEABRO Cc1cc(F)ccc1C[NH+]1CCC(O)CC1 ZINC000038539808 178085210 /nfs/dbraw/zinc/08/52/10/178085210.db2.gz IGVDFWNZQVGCEN-UHFFFAOYSA-N 1 0 223.291 2.091 40 0 BEABRO Cc1nn(C(C)C)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000256053514 187330922 /nfs/dbraw/zinc/33/09/22/187330922.db2.gz RSRNQNZHZRRDDW-ZDUSSCGKSA-N 1 0 237.347 2.041 40 0 BEABRO Cc1cc(OC2CC[NH2+]CC2)ccc1F ZINC000014628588 178208453 /nfs/dbraw/zinc/20/84/53/178208453.db2.gz WUVSDYDKUQNTMD-UHFFFAOYSA-N 1 0 209.264 2.265 40 0 BEABRO C[NH2+]Cc1cccc(I)c1 ZINC000006481833 398251671 /nfs/dbraw/zinc/25/16/71/398251671.db2.gz BESWRCDFFVBCRG-UHFFFAOYSA-N 1 0 247.079 2.011 40 0 BEABRO CC[C@H]1C[NH2+]CCN1C(=O)OCc1ccccc1 ZINC000015022046 343995500 /nfs/dbraw/zinc/99/55/00/343995500.db2.gz VIUQBJBRYSNMKS-ZDUSSCGKSA-N 1 0 248.326 2.007 40 0 BEABRO C[NH+](C)[C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000070453050 259313491 /nfs/dbraw/zinc/31/34/91/259313491.db2.gz GKYFBEWQEJXFCM-SNVBAGLBSA-N 1 0 233.233 2.300 40 0 BEABRO C[NH+](C)[C@](C)(CO)c1ccccc1Cl ZINC000070453424 259313778 /nfs/dbraw/zinc/31/37/78/259313778.db2.gz FQFJAUZIIRJXNS-LLVKDONJSA-N 1 0 213.708 2.109 40 0 BEABRO C[C@](CO)(c1ccccc1)[NH+]1CCCCC1 ZINC000070453381 259313937 /nfs/dbraw/zinc/31/39/37/259313937.db2.gz LKDMKORGKIBSQL-AWEZNQCLSA-N 1 0 219.328 2.380 40 0 BEABRO CCOC(=O)C[C@](C)(CC)[NH+](CC)CC ZINC000070824219 259314252 /nfs/dbraw/zinc/31/42/52/259314252.db2.gz TYFOWRZLODECRD-LBPRGKRZSA-N 1 0 215.337 2.450 40 0 BEABRO CCOC(=O)CC1([NH2+]C2CC2)CCCCC1 ZINC000072210233 259316415 /nfs/dbraw/zinc/31/64/15/259316415.db2.gz FCPNXJCYQIMQGN-UHFFFAOYSA-N 1 0 225.332 2.395 40 0 BEABRO [NH3+][C@H](Cc1ccccc1)c1nccs1 ZINC000001627665 342706283 /nfs/dbraw/zinc/70/62/83/342706283.db2.gz ADXGZQRJIYRSGK-SNVBAGLBSA-N 1 0 204.298 2.386 40 0 BEABRO Cc1nc(CC[NH+]2CCCCC2)cs1 ZINC000001671696 342708017 /nfs/dbraw/zinc/70/80/17/342708017.db2.gz MPKGLXROMSHKQI-UHFFFAOYSA-N 1 0 210.346 2.480 40 0 BEABRO CCCC[N@H+](C)CCOC(=O)N(CC)CC ZINC000001677409 342708412 /nfs/dbraw/zinc/70/84/12/342708412.db2.gz NUCSQNQBXDPPJF-UHFFFAOYSA-N 1 0 230.352 2.197 40 0 BEABRO CC(C)(C)OC(=O)NCCCCCCC[NH3+] ZINC000002389756 342719861 /nfs/dbraw/zinc/71/98/61/342719861.db2.gz DTJYPERGUPPXRU-UHFFFAOYSA-N 1 0 230.352 2.420 40 0 BEABRO [NH3+]CC1(c2cc(C3CC3)on2)CCCC1 ZINC000072220685 259319503 /nfs/dbraw/zinc/31/95/03/259319503.db2.gz ZKRNMKNZKYRYMP-UHFFFAOYSA-N 1 0 206.289 2.323 40 0 BEABRO [NH3+]CC1(c2cc(-c3cccs3)on2)CC1 ZINC000072220678 259319530 /nfs/dbraw/zinc/31/95/30/259319530.db2.gz UNPDSMYXDLIBSI-UHFFFAOYSA-N 1 0 220.297 2.393 40 0 BEABRO Cc1cc(N)ncc1[C@@H]([NH3+])c1ccccc1 ZINC000072223090 259320745 /nfs/dbraw/zinc/32/07/45/259320745.db2.gz BASWNCGTZCHHDV-ZDUSSCGKSA-N 1 0 213.284 2.020 40 0 BEABRO CCCN(CCC)c1ncc(C[NH3+])cc1C ZINC000072222244 259320643 /nfs/dbraw/zinc/32/06/43/259320643.db2.gz XAOAYIDFADRGJX-UHFFFAOYSA-N 1 0 221.348 2.475 40 0 BEABRO COc1ccc(C[NH2+]CC(C)C)c(OC)c1 ZINC000006883613 342785709 /nfs/dbraw/zinc/78/57/09/342785709.db2.gz ASIYSGREOWWVKO-UHFFFAOYSA-N 1 0 223.316 2.449 40 0 BEABRO C[NH2+]Cc1cnc(N2CCCCCC2)c(C)c1 ZINC000072222497 259319937 /nfs/dbraw/zinc/31/99/37/259319937.db2.gz VQHRZRUVVIOPRE-UHFFFAOYSA-N 1 0 233.359 2.490 40 0 BEABRO CNc1ncc([C@H]([NH3+])c2ccccc2)cc1C ZINC000072222027 259320224 /nfs/dbraw/zinc/32/02/24/259320224.db2.gz SODZQLXOGCIWCJ-CYBMUJFWSA-N 1 0 227.311 2.480 40 0 BEABRO C[NH2+]Cc1ccc(N2CCCCCC2)nc1C ZINC000072224584 259321895 /nfs/dbraw/zinc/32/18/95/259321895.db2.gz IEIXQSLFUHBNRT-UHFFFAOYSA-N 1 0 233.359 2.490 40 0 BEABRO [NH3+]C[C@]1(CO)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000062713793 259329708 /nfs/dbraw/zinc/32/97/08/259329708.db2.gz BBNDOWPZRLHQRV-MNOVXSKESA-N 1 0 245.244 2.130 40 0 BEABRO [NH3+]C1(c2cnccc2C(F)(F)F)CC1 ZINC000095094335 346899392 /nfs/dbraw/zinc/89/93/92/346899392.db2.gz HTYRTWXOXQBTNX-UHFFFAOYSA-N 1 0 202.179 2.048 40 0 BEABRO Cc1ccc(C2(C[NH3+])CCC(O)CC2)cc1 ZINC000020443362 342985653 /nfs/dbraw/zinc/98/56/53/342985653.db2.gz DHIOBIATTYQQCB-UHFFFAOYSA-N 1 0 219.328 2.126 40 0 BEABRO [NH3+][C@@H](c1cccnc1Br)C1CC1 ZINC000095664875 259346148 /nfs/dbraw/zinc/34/61/48/259346148.db2.gz VMEPWHBKQFRJKX-MRVPVSSYSA-N 1 0 227.105 2.254 40 0 BEABRO CC(=O)O[C@@H](C[n+]1ccccc1)c1ccccc1 ZINC000005857477 187249072 /nfs/dbraw/zinc/24/90/72/187249072.db2.gz DCSROCDDJGNFSC-HNNXBMFYSA-N 1 0 242.298 2.279 40 0 BEABRO CC(C)(C)OC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000031829543 343225372 /nfs/dbraw/zinc/22/53/72/343225372.db2.gz QHPWESLNMUXZMX-UHFFFAOYSA-N 1 0 240.347 2.138 40 0 BEABRO COC(=O)C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000035748672 343303926 /nfs/dbraw/zinc/30/39/26/343303926.db2.gz QKDWILGTHSGXOG-SECBINFHSA-N 1 0 241.718 2.381 40 0 BEABRO Clc1ccc([C@H]2C[NH2+]CCN2)c(Cl)c1 ZINC000038531987 343376509 /nfs/dbraw/zinc/37/65/09/343376509.db2.gz JXVBZOZKDYDRMX-SNVBAGLBSA-N 1 0 231.126 2.227 40 0 BEABRO CC[C@@H](c1ccccc1)N(C(=O)C[NH3+])C(C)C ZINC000079421169 343400448 /nfs/dbraw/zinc/40/04/48/343400448.db2.gz NRGVNVWOAJDIMH-ZDUSSCGKSA-N 1 0 234.343 2.333 40 0 BEABRO COC(=O)[C@@H](C)C[NH2+][C@@H](C)CCc1ccccc1 ZINC000044288539 343497175 /nfs/dbraw/zinc/49/71/75/343497175.db2.gz CBHOGIOVSJMKPU-STQMWFEESA-N 1 0 249.354 2.406 40 0 BEABRO OCC[NH2+]Cc1cc(Cl)ccc1Cl ZINC000079420120 187262828 /nfs/dbraw/zinc/26/28/28/187262828.db2.gz XSTDAPDANPWBFW-UHFFFAOYSA-N 1 0 220.099 2.075 40 0 BEABRO C1=C2CCC[NH2+][C@H]2[C@@H]2C[C@H]1[C@@H]1CCCCN1C2 ZINC000002565952 343584605 /nfs/dbraw/zinc/58/46/05/343584605.db2.gz SKOLRLSBMUGVOY-LJISPDSOSA-N 1 0 232.371 2.169 40 0 BEABRO C1=C2CCC[NH2+][C@@H]2[C@@H]2C[C@H]1[C@H]1CCCCN1C2 ZINC000043704793 343585829 /nfs/dbraw/zinc/58/58/29/343585829.db2.gz SKOLRLSBMUGVOY-YJNKXOJESA-N 1 0 232.371 2.169 40 0 BEABRO COC(=O)c1ccc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000096311690 343668332 /nfs/dbraw/zinc/66/83/32/343668332.db2.gz ZZBOZZCGCHTBCL-AGUYFDCRSA-N 1 0 245.322 2.471 40 0 BEABRO CO[C@@H]1C[NH2+]CC[C@@H]1Cc1ccccc1C ZINC000221690199 346963666 /nfs/dbraw/zinc/96/36/66/346963666.db2.gz CBYKZKNTXNNPID-ZIAGYGMSSA-N 1 0 219.328 2.162 40 0 BEABRO CO[C@@H]1C[NH2+]CC[C@@H]1Cc1ccc(C)cc1 ZINC000221690375 346963903 /nfs/dbraw/zinc/96/39/03/346963903.db2.gz MMIRAPBNZVCWME-ZIAGYGMSSA-N 1 0 219.328 2.162 40 0 BEABRO CC(C)C[N@@H+]1CCC[C@]2(CCC(=O)N2C)CC1 ZINC000585100662 344131807 /nfs/dbraw/zinc/13/18/07/344131807.db2.gz SDFNHKYUGAMJMQ-AWEZNQCLSA-N 1 0 238.375 2.119 40 0 BEABRO C[NH2+]C[C@H]1C[C@@H]1c1ccc(OC)cc1OC ZINC000054588573 259374105 /nfs/dbraw/zinc/37/41/05/259374105.db2.gz FKZTUXUPAFVPSV-SKDRFNHKSA-N 1 0 221.300 2.027 40 0 BEABRO Cc1cccc(-c2nc(C)cc(NCC[NH3+])n2)c1 ZINC000008731087 344243873 /nfs/dbraw/zinc/24/38/73/344243873.db2.gz UUDCATQFIATRJJ-UHFFFAOYSA-N 1 0 242.326 2.131 40 0 BEABRO Cc1cccc(-c2nc(C)cc(NN)[nH+]2)c1 ZINC000008731086 344243956 /nfs/dbraw/zinc/24/39/56/344243956.db2.gz FPBBYFXGJIYXOT-UHFFFAOYSA-N 1 0 214.272 2.046 40 0 BEABRO COc1cccc([C@H]2C[C@@H]2[C@@H](C)[NH3+])c1OC ZINC000020594439 344509960 /nfs/dbraw/zinc/50/99/60/344509960.db2.gz NRMIRCUHNDPXEF-FBIMIBRVSA-N 1 0 221.300 2.155 40 0 BEABRO C[N@@H+]1CCC[C@H]1C[C@H]1CNc2cccc(O)c21 ZINC000504729501 530064024 /nfs/dbraw/zinc/06/40/24/530064024.db2.gz IEZDBJGTSJCFTD-QWRGUYRKSA-N 1 0 232.327 2.386 40 0 BEABRO [NH3+]Cc1cnn([C@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000514264588 344908067 /nfs/dbraw/zinc/90/80/67/344908067.db2.gz KOZJAARUXDZAIJ-STQMWFEESA-N 1 0 231.274 2.210 40 0 BEABRO CCC[NH2+]C(C)(C)C(=O)Nc1ccccc1 ZINC000148511058 537976670 /nfs/dbraw/zinc/97/66/70/537976670.db2.gz GGCXQDUESLFXOM-UHFFFAOYSA-N 1 0 220.316 2.403 40 0 BEABRO Cc1cccc(C[N@@H+](CCO)C(C)C)c1 ZINC000049826449 179072082 /nfs/dbraw/zinc/07/20/82/179072082.db2.gz BVWZPLZHFMGLLO-UHFFFAOYSA-N 1 0 207.317 2.198 40 0 BEABRO Cc1cccc(Cl)c1C[N@@H+]1CC[C@@H](O)C1 ZINC000038539016 179107336 /nfs/dbraw/zinc/10/73/36/179107336.db2.gz WPNNLXPTMJVNAA-SNVBAGLBSA-N 1 0 225.719 2.215 40 0 BEABRO CCOc1ccc2[nH]cc(CC[NH3+])c2c1 ZINC000008325048 346675513 /nfs/dbraw/zinc/67/55/13/346675513.db2.gz HWNPGCPKNYFXMA-UHFFFAOYSA-N 1 0 204.273 2.068 40 0 BEABRO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000082320998 179139190 /nfs/dbraw/zinc/13/91/90/179139190.db2.gz AQEINNCCKCLQIZ-GFCCVEGCSA-N 1 0 232.327 2.275 40 0 BEABRO Cc1cccc2c1c([C@H]1C[C@@H]1[NH3+])cn2C ZINC000096509621 179225472 /nfs/dbraw/zinc/22/54/72/179225472.db2.gz SBJWMBMJRQIITF-KOLCDFICSA-N 1 0 200.285 2.301 40 0 BEABRO c1csc(-c2cccc(C[C@H]3CC[NH2+]C3)n2)n1 ZINC000205690995 347451513 /nfs/dbraw/zinc/45/15/13/347451513.db2.gz GQUMRYBZDRUMNH-SNVBAGLBSA-N 1 0 245.351 2.357 40 0 BEABRO Cc1ccccc1-c1noc(CSC(N)=[NH2+])n1 ZINC000087464332 179241477 /nfs/dbraw/zinc/24/14/77/179241477.db2.gz ZJGNOUIZJUDSTG-UHFFFAOYSA-N 1 0 248.311 2.172 40 0 BEABRO Cc1ccccc1-c1noc([C@@H]2CC[NH2+]C2)n1 ZINC000062119578 179241480 /nfs/dbraw/zinc/24/14/80/179241480.db2.gz IOFYPOWALXFISG-SNVBAGLBSA-N 1 0 229.283 2.122 40 0 BEABRO Cc1ccccc1CN(CC[NH3+])C(C)C ZINC000032011645 179271331 /nfs/dbraw/zinc/27/13/31/179271331.db2.gz QPNUTKVNYWATNL-UHFFFAOYSA-N 1 0 206.333 2.164 40 0 BEABRO Cc1ccccc1NC(=O)C[NH2+]CC(C)C ZINC000001671771 179299459 /nfs/dbraw/zinc/29/94/59/179299459.db2.gz CVFJBMDFMYGJME-UHFFFAOYSA-N 1 0 220.316 2.179 40 0 BEABRO COc1cccc([C@H]2C[C@H]2[C@H](C)[NH3+])c1OC ZINC000036922590 347964464 /nfs/dbraw/zinc/96/44/64/347964464.db2.gz NRMIRCUHNDPXEF-INTQDDNPSA-N 1 0 221.300 2.155 40 0 BEABRO Cc1ccccc1[C@H](O)C1(C[NH3+])CC(C)C1 ZINC000085396037 179345877 /nfs/dbraw/zinc/34/58/77/179345877.db2.gz ZQWDYHKYTISTTD-AWAWDMARSA-N 1 0 219.328 2.403 40 0 BEABRO C[N@@H+]1CCCC[C@H]1CCNC(=O)c1ccccc1 ZINC000205672044 348571546 /nfs/dbraw/zinc/57/15/46/348571546.db2.gz DTUZNDGIQVNSLL-AWEZNQCLSA-N 1 0 246.354 2.291 40 0 BEABRO CC(C)[N@@H+]1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000205693914 348576103 /nfs/dbraw/zinc/57/61/03/348576103.db2.gz LMXOFVICSIYTLD-NSHDSACASA-N 1 0 207.321 2.073 40 0 BEABRO Clc1nccc(Nc2cc[nH+]cc2)n1 ZINC000038579812 348714329 /nfs/dbraw/zinc/71/43/29/348714329.db2.gz YEWRWAXDKOMBJS-UHFFFAOYSA-N 1 0 206.636 2.269 40 0 BEABRO Cc1ccc(CN2CCC[C@H]([NH3+])C2)cc1C ZINC000038539655 348703200 /nfs/dbraw/zinc/70/32/00/348703200.db2.gz IJYPOXAGCQQMGK-AWEZNQCLSA-N 1 0 218.344 2.227 40 0 BEABRO Cc1ccc(C[NH+]2CCC(O)CC2)c(C)c1 ZINC000038539780 348704549 /nfs/dbraw/zinc/70/45/49/348704549.db2.gz CITUSEDKZPXPJD-UHFFFAOYSA-N 1 0 219.328 2.260 40 0 BEABRO CN(C)[C@@H](C[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000022220651 349272441 /nfs/dbraw/zinc/27/24/41/349272441.db2.gz TVGWGARVOMTGOM-JTQLQIEISA-N 1 0 248.248 2.147 40 0 BEABRO COC(=O)[C@H](C(C)C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022123344 350084141 /nfs/dbraw/zinc/08/41/41/350084141.db2.gz XGODMWPEWRNOJL-TUAOUCFPSA-N 1 0 227.348 2.162 40 0 BEABRO Cc1ccccc1[C@@H](C[NH3+])N1C[C@H](C)O[C@@H](C)C1 ZINC000219674188 350136046 /nfs/dbraw/zinc/13/60/46/350136046.db2.gz KUIMRTKOXCKTBR-KCQAQPDRSA-N 1 0 248.370 2.104 40 0 BEABRO Cc1nc2ccccc2c(C)c1CC[NH3+] ZINC000082638795 180101179 /nfs/dbraw/zinc/10/11/79/180101179.db2.gz IBUSFGDIMQGNPW-UHFFFAOYSA-N 1 0 200.285 2.353 40 0 BEABRO C[C@@H]1c2ccc(O)cc2[C@]2(C)CC[N@@H+](C)[C@H]12 ZINC000032119722 350179162 /nfs/dbraw/zinc/17/91/62/350179162.db2.gz YPKISZQTKHQMFL-FZQKWOKYSA-N 1 0 217.312 2.471 40 0 BEABRO CC(C)(C)OC(=O)N[C@]1(C)CCC[C@@H]([NH3+])C1 ZINC000216550380 350225753 /nfs/dbraw/zinc/22/57/53/350225753.db2.gz PIBNHYAGDOXHSE-BXKDBHETSA-N 1 0 228.336 2.171 40 0 BEABRO Cc1c(Cl)cccc1N1CC[C@@H]([NH3+])C1 ZINC000033427018 350234562 /nfs/dbraw/zinc/23/45/62/350234562.db2.gz AXZGZJZEGHACPZ-SECBINFHSA-N 1 0 210.708 2.186 40 0 BEABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CC1 ZINC000225384368 350360658 /nfs/dbraw/zinc/36/06/58/350360658.db2.gz HIRKOULGQKHKOO-CYBMUJFWSA-N 1 0 238.375 2.167 40 0 BEABRO Cc1c(F)cccc1CN1CCC[C@H]([NH3+])C1 ZINC000038539538 362965112 /nfs/dbraw/zinc/96/51/12/362965112.db2.gz HSNOHCLBEGBHIA-LBPRGKRZSA-N 1 0 222.307 2.057 40 0 BEABRO [NH3+]C[C@@H](C[C@@H](O)c1ccccc1)C(F)(F)F ZINC000256053200 351033442 /nfs/dbraw/zinc/03/34/42/351033442.db2.gz QMLDBSDPWZVVKE-NXEZZACHSA-N 1 0 233.233 2.247 40 0 BEABRO CC[N@@H+]1CCC[C@H](Cc2cnc(NC)cn2)CC1 ZINC000257262527 351042563 /nfs/dbraw/zinc/04/25/63/351042563.db2.gz LLTJCGYLUDPULC-LBPRGKRZSA-N 1 0 248.374 2.183 40 0 BEABRO Cl/C(=C\C=[N+]1CCOCC1)c1ccccc1 ZINC000005946146 180568095 /nfs/dbraw/zinc/56/80/95/180568095.db2.gz MLTSATORCJGVDF-MLPAPPSSSA-N 1 0 236.722 2.380 40 0 BEABRO Clc1ccc(Cl)c(CN2CC[NH2+]CC2)c1 ZINC000022788948 180581946 /nfs/dbraw/zinc/58/19/46/180581946.db2.gz OCDKHNIROLGDKR-UHFFFAOYSA-N 1 0 245.153 2.399 40 0 BEABRO Fc1cccc(-c2noc(C3CC[NH2+]CC3)n2)c1 ZINC000035660520 363185222 /nfs/dbraw/zinc/18/52/22/363185222.db2.gz DJKHUMOETDUOMS-UHFFFAOYSA-N 1 0 247.273 2.343 40 0 BEABRO [NH3+]CCCc1ccccc1OC(F)F ZINC000043559416 187949077 /nfs/dbraw/zinc/94/90/77/187949077.db2.gz ILVNWYAHXHDQNO-UHFFFAOYSA-N 1 0 201.216 2.179 40 0 BEABRO CC(=O)[C@@H](C[n+]1ccccc1)c1ccccc1 ZINC000001641236 188274340 /nfs/dbraw/zinc/27/43/40/188274340.db2.gz LMKHOPSGBATRQV-OAHLLOKOSA-N 1 0 226.299 2.347 40 0 BEABRO C1COC(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)=N1 ZINC000005046318 188276364 /nfs/dbraw/zinc/27/63/64/188276364.db2.gz GEUSRXMGTZSERI-SDDRHHMPSA-N 1 0 222.332 2.321 40 0 BEABRO C1COC(N[C@H]2CC[C@@H]3CCCC[C@H]3C2)=N1 ZINC000005046320 188276574 /nfs/dbraw/zinc/27/65/74/188276574.db2.gz GEUSRXMGTZSERI-SRVKXCTJSA-N 1 0 222.332 2.321 40 0 BEABRO Cc1cc(O)ccc1C1=[N+](C)C[C@@H](C)S1 ZINC000005190417 188277220 /nfs/dbraw/zinc/27/72/20/188277220.db2.gz WFSDNAKTGJFGMO-SECBINFHSA-O 1 0 222.333 2.225 40 0 BEABRO CC(C)N(C(=O)CC1CC[NH2+]CC1)C(C)C ZINC000096510325 188321086 /nfs/dbraw/zinc/32/10/86/188321086.db2.gz ZOZKJBRWNAGBQC-UHFFFAOYSA-N 1 0 226.364 2.022 40 0 BEABRO C[NH+]1CC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000085224237 188317423 /nfs/dbraw/zinc/31/74/23/188317423.db2.gz XHWYWBQBHTXVCE-UHFFFAOYSA-N 1 0 230.355 2.214 40 0 BEABRO Cc1ccc2[nH]c(-c3ccc[n+](C)c3)nc2c1 ZINC000226774475 188359749 /nfs/dbraw/zinc/35/97/49/188359749.db2.gz WTINRSHORLCIOV-UHFFFAOYSA-N 1 0 224.287 2.363 40 0 BEABRO CCOCC[NH+]1CCC(Cc2ccncc2)CC1 ZINC000257339055 188370896 /nfs/dbraw/zinc/37/08/96/188370896.db2.gz ZAANEQDJMKWAFV-UHFFFAOYSA-N 1 0 248.370 2.373 40 0 BEABRO Fc1cccc2c1CC[C@@]21CCC[NH2+]C1 ZINC000095635321 181005662 /nfs/dbraw/zinc/00/56/62/181005662.db2.gz OASOAUKDUNYFHD-CYBMUJFWSA-N 1 0 205.276 2.393 40 0 BEABRO Cc1ccc(CN2CCCC[C@H]2C[NH3+])cc1 ZINC000019843374 354929659 /nfs/dbraw/zinc/92/96/59/354929659.db2.gz JREOTEGZCVNMIX-AWEZNQCLSA-N 1 0 218.344 2.308 40 0 BEABRO NC(=[NH2+])NC1CCC2(CCCCC2)CC1 ZINC000044460142 181189373 /nfs/dbraw/zinc/18/93/73/181189373.db2.gz YITKIFFIJUQFRY-UHFFFAOYSA-N 1 0 209.337 2.363 40 0 BEABRO NC(=[NH2+])SCCCCCCCCCO ZINC000077285225 181192020 /nfs/dbraw/zinc/19/20/20/181192020.db2.gz DMZFZQHNHHNORG-UHFFFAOYSA-N 1 0 218.366 2.336 40 0 in-vitro BEABRO NC(=[NH2+])c1c(F)cc(Br)cc1F ZINC000075847655 181192098 /nfs/dbraw/zinc/19/20/98/181192098.db2.gz VBUPQJAFWAIERK-UHFFFAOYSA-N 1 0 235.031 2.011 40 0 BEABRO NC(=[NH2+])c1cccc(F)c1C(F)(F)F ZINC000199558191 181195911 /nfs/dbraw/zinc/19/59/11/181195911.db2.gz ZVHWEIYYMGRXGC-UHFFFAOYSA-N 1 0 206.142 2.129 40 0 BEABRO [NH3+][C@@H](CC(=O)N1CCCCC1)c1ccccc1 ZINC000019485588 356582196 /nfs/dbraw/zinc/58/21/96/356582196.db2.gz PUHIDTBBRRCERC-ZDUSSCGKSA-N 1 0 232.327 2.089 40 0 BEABRO [NH3+]Cc1cc2ccc(F)cc2nc1Cl ZINC000258012766 538775071 /nfs/dbraw/zinc/77/50/71/538775071.db2.gz HKUGAMTUYCZZQC-UHFFFAOYSA-N 1 0 210.639 2.486 40 0 BEABRO COc1ccccc1[C@@H](C[NH3+])N1CCC[C@H](C)C1 ZINC000108349920 358441195 /nfs/dbraw/zinc/44/11/95/358441195.db2.gz AWACISUOWGQNCH-GXTWGEPZSA-N 1 0 248.370 2.427 40 0 BEABRO CC(C)C1([NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC000306456218 360047583 /nfs/dbraw/zinc/04/75/83/360047583.db2.gz RWNPACJCQMHEHY-UHFFFAOYSA-N 1 0 242.363 2.371 40 0 BEABRO COc1ccc(CN2CC[n+]3ccccc32)cc1 ZINC000006793573 200651437 /nfs/dbraw/zinc/65/14/37/200651437.db2.gz JEFDYQRIBGMLPZ-UHFFFAOYSA-N 1 0 241.314 2.003 40 0 in-vitro BEABRO [NH3+]C1(c2ccc(C(F)(F)F)nc2)CC1 ZINC000095094337 181334008 /nfs/dbraw/zinc/33/40/08/181334008.db2.gz LDNFXTSHKMVBTK-UHFFFAOYSA-N 1 0 202.179 2.048 40 0 BEABRO CCNc1ccc([C@@H]2CCCC[NH2+]2)cn1 ZINC000072213086 259526322 /nfs/dbraw/zinc/52/63/22/259526322.db2.gz VAGVLEWILYNFPD-NSHDSACASA-N 1 0 205.305 2.328 40 0 BEABRO C[C@@H]([NH2+]CCN)C12CC3CC(CC(C3)C1)C2 ZINC000037712444 364544532 /nfs/dbraw/zinc/54/45/32/364544532.db2.gz LOHUAMCHNGBEBX-ZGCIAEMCSA-N 1 0 222.376 2.140 40 0 BEABRO [NH3+]CCCCCC(=O)Nc1ccccc1 ZINC000019518225 181373403 /nfs/dbraw/zinc/37/34/03/181373403.db2.gz NJHPTRCDNRQRLW-UHFFFAOYSA-N 1 0 206.289 2.144 40 0 BEABRO [NH3+]CCCCc1cccc2c1OC(F)(F)O2 ZINC000096171555 181378123 /nfs/dbraw/zinc/37/81/23/181378123.db2.gz BJWZXIPOQTWDEJ-UHFFFAOYSA-N 1 0 229.226 2.290 40 0 BEABRO [NH3+]CCCn1cc(-c2ccc(F)cc2)cn1 ZINC000049817081 181389546 /nfs/dbraw/zinc/38/95/46/181389546.db2.gz NLPMLHPIQKKWBL-UHFFFAOYSA-N 1 0 219.263 2.038 40 0 BEABRO [NH3+]CCOc1cc(Cl)cc(Cl)c1 ZINC000001843725 181399662 /nfs/dbraw/zinc/39/96/62/181399662.db2.gz FJMQDWMDXIGLLM-UHFFFAOYSA-N 1 0 206.072 2.331 40 0 BEABRO [NH3+]CCc1cnc(Cc2ccc(F)cc2)s1 ZINC000218359823 181413023 /nfs/dbraw/zinc/41/30/23/181413023.db2.gz JBSGYIVMEBXVIY-UHFFFAOYSA-N 1 0 236.315 2.374 40 0 BEABRO CNc1nc([C@@H]2CCCC[NH2+]2)cn2cccc12 ZINC000205686986 368357769 /nfs/dbraw/zinc/35/77/69/368357769.db2.gz LNLXNWJISTXQGE-JTQLQIEISA-N 1 0 230.315 2.191 40 0 BEABRO Cc1c[nH]c([C@H]2CC[N@H+](CC3CCC3)C2)n1 ZINC000205694311 368358720 /nfs/dbraw/zinc/35/87/20/368358720.db2.gz NOFZQQKCYJXRKW-LBPRGKRZSA-N 1 0 219.332 2.308 40 0 BEABRO c1nc(N2CCCCCC2)cnc1[C@@H]1CCC[NH2+]1 ZINC000205698310 368359904 /nfs/dbraw/zinc/35/99/04/368359904.db2.gz NBWBXIWKZORHGO-LBPRGKRZSA-N 1 0 246.358 2.282 40 0 BEABRO C[C@H]([NH3+])[C@H]1C[C@H]1c1ccc2c(c1)CCO2 ZINC000242400308 259543772 /nfs/dbraw/zinc/54/37/72/259543772.db2.gz ATVUCOFCESBIAI-AXTRIDKLSA-N 1 0 203.285 2.072 40 0 BEABRO CC(C)(C)OC(=O)[C@@]1([NH3+])CC2CCC1CC2 ZINC000253186034 370157852 /nfs/dbraw/zinc/15/78/52/370157852.db2.gz RDVZRSSJLUROFT-SRHKJQAYSA-N 1 0 225.332 2.236 40 0 BEABRO [NH3+]C[C@@H](CC(=O)c1ccccc1)C(F)(F)F ZINC000256054705 370638292 /nfs/dbraw/zinc/63/82/92/370638292.db2.gz XKZZENNZLVZCPH-SECBINFHSA-N 1 0 231.217 2.397 40 0 BEABRO NNc1[nH+]cc(Br)c2ccccc21 ZINC000095935537 181520830 /nfs/dbraw/zinc/52/08/30/181520830.db2.gz RGMWFZAPWLRRKC-UHFFFAOYSA-N 1 0 238.088 2.283 40 0 BEABRO CC(C)N1CC[NH+](C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019900075 371198735 /nfs/dbraw/zinc/19/87/35/371198735.db2.gz ZUYPESQMYNAILG-ILXRZTDVSA-N 1 0 234.387 2.225 40 0 BEABRO [NH3+][C@@H](c1ccccc1)[C@@H](O)c1ccc(O)cc1 ZINC000001668350 181564818 /nfs/dbraw/zinc/56/48/18/181564818.db2.gz YQLYRTPHCSXQLY-KBPBESRZSA-N 1 0 229.279 2.126 40 0 BEABRO [NH3+][C@@H]1CCN(Cc2cccc(Cl)c2F)C1 ZINC000038538792 181588195 /nfs/dbraw/zinc/58/81/95/181588195.db2.gz MCIVKGZPSIQNBW-SECBINFHSA-N 1 0 228.698 2.012 40 0 BEABRO Fc1ccc(COC[C@@H]2CCC[NH2+]2)cc1 ZINC000028521842 371612131 /nfs/dbraw/zinc/61/21/31/371612131.db2.gz PBOWRMRZFMBMJH-LBPRGKRZSA-N 1 0 209.264 2.094 40 0 BEABRO O=C1C[C@H](C2CC[NH2+]CC2)Oc2ccccc21 ZINC000057467225 182782230 /nfs/dbraw/zinc/78/22/30/182782230.db2.gz JBCIAPJWJRAGQG-CQSZACIVSA-N 1 0 231.295 2.020 40 0 BEABRO OC1(CCCc2ccccc2)CC[NH2+]CC1 ZINC000001730682 183015404 /nfs/dbraw/zinc/01/54/04/183015404.db2.gz MRKWQCUGCSVVFJ-UHFFFAOYSA-N 1 0 219.328 2.124 40 0 BEABRO OC[C@@H](Cc1ccccc1)[NH+]1CCCCC1 ZINC000001698263 183106121 /nfs/dbraw/zinc/10/61/21/183106121.db2.gz MKPWVSUPSWNGNB-CQSZACIVSA-N 1 0 219.328 2.076 40 0 BEABRO O[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2)CC1 ZINC000100173851 183201895 /nfs/dbraw/zinc/20/18/95/183201895.db2.gz CEKDSILVRRSOTF-BETUJISGSA-N 1 0 223.291 2.219 40 0 BEABRO O[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2)CC1 ZINC000242437526 183202264 /nfs/dbraw/zinc/20/22/64/183202264.db2.gz CEKDSILVRRSOTF-JOCQHMNTSA-N 1 0 223.291 2.219 40 0 BEABRO O[C@H](C[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000001567966 183227693 /nfs/dbraw/zinc/22/76/93/183227693.db2.gz OPZVPQVONVBYTF-CHWSQXEVSA-N 1 0 205.301 2.252 40 0 BEABRO O[C@H](c1ccc2cccnc2c1)[C@H]1CCCC[NH2+]1 ZINC000001729518 183229681 /nfs/dbraw/zinc/22/96/81/183229681.db2.gz MNCWVFJXBARQLI-UKRRQHHQSA-N 1 0 242.322 2.410 40 0 BEABRO O[C@H]1[C@@H]2CC[C@H]1[C@H]([NH+]1CCCCC1)CC2 ZINC000004336982 183213307 /nfs/dbraw/zinc/21/33/07/183213307.db2.gz OTFFUZVPVSDGHV-XQHKEYJVSA-N 1 0 209.333 2.022 40 0 BEABRO O[C@H]1[C@@H]2CC[C@H]1CC[C@@H]2[NH+]1CCCCC1 ZINC000005382561 183213386 /nfs/dbraw/zinc/21/33/86/183213386.db2.gz OTFFUZVPVSDGHV-QNWHQSFQSA-N 1 0 209.333 2.022 40 0 BEABRO O[C@]12CCCC[C@@H]1C[N@H+](Cc1ccccn1)CC2 ZINC000019401589 183252384 /nfs/dbraw/zinc/25/23/84/183252384.db2.gz RPRHYUWMVLXVKX-HIFRSBDPSA-N 1 0 246.354 2.209 40 0 BEABRO CCCN(Cc1ccco1)C[C@@H]([NH3+])C(C)C ZINC000096523744 169179489 /nfs/dbraw/zinc/17/94/89/169179489.db2.gz GDLQTOPFBLUJDY-CYBMUJFWSA-N 1 0 224.348 2.475 40 0 BEABRO c1cc(C[C@H]2CCC[NH2+]C2)nc(N2CCCC2)c1 ZINC000072386383 183354528 /nfs/dbraw/zinc/35/45/28/183354528.db2.gz NWUAIPNBUQTQEM-CYBMUJFWSA-N 1 0 245.370 2.224 40 0 BEABRO c1[nH]nc2cccc(C[C@@H]3CCC[NH2+]CC3)c12 ZINC000257198303 183354937 /nfs/dbraw/zinc/35/49/37/183354937.db2.gz YPKKPDZCQSRPPY-LLVKDONJSA-N 1 0 229.327 2.495 40 0 BEABRO c1nn(-c2ccccc2)cc1C1CC[NH2+]CC1 ZINC000033487583 183386362 /nfs/dbraw/zinc/38/63/62/183386362.db2.gz NXSCNTAYEMSQOA-UHFFFAOYSA-N 1 0 227.311 2.339 40 0 BEABRO CCC[NH2+]C[C@@H](O)CNc1ccc(Cl)cc1 ZINC000005555161 169262368 /nfs/dbraw/zinc/26/23/68/169262368.db2.gz CDHQJUOWVCOCSW-GFCCVEGCSA-N 1 0 242.750 2.112 40 0 BEABRO c1cc[n+](Cc2ccc3nsnc3c2)cc1 ZINC000002470170 183378002 /nfs/dbraw/zinc/37/80/02/183378002.db2.gz OCPMYSATMJDSJL-UHFFFAOYSA-N 1 0 228.300 2.027 40 0 BEABRO c1ccc(-c2nnc(C[n+]3ccccc3)o2)cc1 ZINC000003157477 183383164 /nfs/dbraw/zinc/38/31/64/183383164.db2.gz BZKMMWJDZUXSDE-UHFFFAOYSA-N 1 0 238.270 2.072 40 0 BEABRO CCCO[C@H](C[NH3+])C(Cl)(Cl)Cl ZINC000001727688 169312539 /nfs/dbraw/zinc/31/25/39/169312539.db2.gz VDMYOJJPIVHVOE-RXMQYKEDSA-N 1 0 220.527 2.111 40 0 BEABRO c1ccc2oc(NC[C@H]3CCC[NH2+]C3)nc2c1 ZINC000044503039 183461246 /nfs/dbraw/zinc/46/12/46/183461246.db2.gz GGIWPNVKEBVTOF-JTQLQIEISA-N 1 0 231.299 2.239 40 0 BEABRO c1ccc2c(c1)cccc2OCC1=[NH+]CCN1 ZINC000001608866 183439718 /nfs/dbraw/zinc/43/97/18/183439718.db2.gz REQHONMNWKPBNA-UHFFFAOYSA-N 1 0 226.279 2.220 40 0 BEABRO CCN(CC[NH3+])Cc1c(F)cccc1Cl ZINC000079420153 169839424 /nfs/dbraw/zinc/83/94/24/169839424.db2.gz YOFKOXVKOURBMY-UHFFFAOYSA-N 1 0 230.714 2.260 40 0 BEABRO Cc1ccc([C@@H](C[NH3+])N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000022166922 383984327 /nfs/dbraw/zinc/98/43/27/383984327.db2.gz JIDRSRYRCNYOIG-VNHYZAJKSA-N 1 0 248.370 2.104 40 0 BEABRO C[C@H]([NH2+]CCO)c1ccc2ccccc2c1 ZINC000002048271 383948484 /nfs/dbraw/zinc/94/84/84/383948484.db2.gz NOQIKKRTEGNJJH-NSHDSACASA-N 1 0 215.296 2.483 40 0 BEABRO CC(C)CC(=O)N1CC[NH+]=Cc2cc(N)ccc21 ZINC000073642185 384027465 /nfs/dbraw/zinc/02/74/65/384027465.db2.gz QTXJSCJENRIGJG-UHFFFAOYSA-N 1 0 245.326 2.080 40 0 BEABRO C[NH+](C)C[C@H]1CCCc2ccccc2C1=O ZINC000005207928 384107107 /nfs/dbraw/zinc/10/71/07/384107107.db2.gz KXZUEKMRAUIUJL-GFCCVEGCSA-N 1 0 217.312 2.383 40 0 BEABRO CCCC[C@H](CC)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000071978902 384191159 /nfs/dbraw/zinc/19/11/59/384191159.db2.gz SEWVWPDQTJUGNR-NEPJUHHUSA-N 1 0 226.364 2.023 40 0 BEABRO CN(Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000043501381 384192319 /nfs/dbraw/zinc/19/23/19/384192319.db2.gz KZDLUXFYCLSDKJ-CYBMUJFWSA-N 1 0 222.307 2.010 40 0 BEABRO C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000072207679 384199735 /nfs/dbraw/zinc/19/97/35/384199735.db2.gz PRWFSZXEPFDTEG-GHMZBOCLSA-N 1 0 242.363 2.241 40 0 BEABRO Cc1c[nH]nc1[C@H]1CCCN1Cc1ccncc1 ZINC000072357068 384211713 /nfs/dbraw/zinc/21/17/13/384211713.db2.gz SRMWGQMRZATEQL-CYBMUJFWSA-N 1 0 242.326 2.450 40 0 BEABRO Cc1cc(C)nc([C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000072381405 384217540 /nfs/dbraw/zinc/21/75/40/384217540.db2.gz WKENVASXCFDYSR-GFCCVEGCSA-N 1 0 219.332 2.291 40 0 BEABRO Cc1c[nH]nc1[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000072381925 384218210 /nfs/dbraw/zinc/21/82/10/384218210.db2.gz VPFCUMNUBKIIQW-LBPRGKRZSA-N 1 0 249.358 2.077 40 0 BEABRO CCn1c2ccncc2nc1[C@H]([NH3+])C(C)C ZINC000084132487 384225510 /nfs/dbraw/zinc/22/55/10/384225510.db2.gz GNRYAGHBJKSRMY-LLVKDONJSA-N 1 0 218.304 2.107 40 0 BEABRO [NH3+][C@@H]1CCCC[C@H]1NCc1ccccc1 ZINC000095775690 384395707 /nfs/dbraw/zinc/39/57/07/384395707.db2.gz LATNVBUKYCPGPI-CHWSQXEVSA-N 1 0 204.317 2.046 40 0 BEABRO CCCCC(=O)N1CCC[C@]2(CCCC[NH2+]2)C1 ZINC000096047402 384426601 /nfs/dbraw/zinc/42/66/01/384426601.db2.gz NGMBSZQCDGBSKA-CQSZACIVSA-N 1 0 238.375 2.311 40 0 BEABRO CCc1cccc(NC(=O)C2CC[NH2+]CC2)c1 ZINC000019408740 384405729 /nfs/dbraw/zinc/40/57/29/384405729.db2.gz ARWDNZFQAYVKDN-UHFFFAOYSA-N 1 0 232.327 2.187 40 0 BEABRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1O)c1ccccc1 ZINC000001613139 384423371 /nfs/dbraw/zinc/42/33/71/384423371.db2.gz XRTOQDRFDAUSLY-UHTWSYAYSA-N 1 0 205.301 2.251 40 0 BEABRO C1C[C@@]2(CC[N@@H+](C3CCCCC3)C2)CO1 ZINC000096051073 384428464 /nfs/dbraw/zinc/42/84/64/384428464.db2.gz PLCFTPNVCNILNX-CYBMUJFWSA-N 1 0 209.333 2.432 40 0 BEABRO FCC[N@@H+]1C[C@@H]2CNc3ccccc3[C@H]2C1 ZINC000096157359 384439663 /nfs/dbraw/zinc/43/96/63/384439663.db2.gz IDNOQJVOZHWQRF-JQWIXIFHSA-N 1 0 220.291 2.097 40 0 BEABRO Cc1c[nH+]c(N2CCC[C@@H](C)C2)c(N)c1 ZINC000085425107 384521029 /nfs/dbraw/zinc/52/10/29/384521029.db2.gz NCUHGQFGMRDZQU-SECBINFHSA-N 1 0 205.305 2.209 40 0 BEABRO FC(F)(F)c1cccnc1NC1CC[NH2+]CC1 ZINC000019471080 384526645 /nfs/dbraw/zinc/52/66/45/384526645.db2.gz NAFJOVIHDQHZAP-UHFFFAOYSA-N 1 0 245.248 2.264 40 0 BEABRO [NH3+]Cc1ccc2c(c1)oc(=O)cc2C(F)(F)F ZINC000199565078 384527545 /nfs/dbraw/zinc/52/75/45/384527545.db2.gz XYGPDOODYIDKIM-UHFFFAOYSA-N 1 0 243.184 2.271 40 0 BEABRO CCCC[NH2+]Cc1nc2ccccc2[nH]1 ZINC000019894619 384554005 /nfs/dbraw/zinc/55/40/05/384554005.db2.gz GXGONWBURNYEHE-UHFFFAOYSA-N 1 0 203.289 2.453 40 0 BEABRO Fc1ccc(CN2CCC[NH2+]CCC2)cc1 ZINC000049665273 384557430 /nfs/dbraw/zinc/55/74/30/384557430.db2.gz RBLKQPSNRKTOOZ-UHFFFAOYSA-N 1 0 222.307 2.011 40 0 BEABRO OC[C@H](c1ccc(F)c(F)c1)[NH+]1CCCCC1 ZINC000070453250 384563523 /nfs/dbraw/zinc/56/35/23/384563523.db2.gz JPGONXUVIJCZQD-CYBMUJFWSA-N 1 0 241.281 2.484 40 0 BEABRO C[C@@](CN)(c1cccs1)[NH+]1CCCC1 ZINC000070453215 384563729 /nfs/dbraw/zinc/56/37/29/384563729.db2.gz MFDGROLEJWSDAG-LLVKDONJSA-N 1 0 210.346 2.018 40 0 BEABRO c1ccc2c(c1)NC[C@]21C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000100004728 384606980 /nfs/dbraw/zinc/60/69/80/384606980.db2.gz FUFDMCCOBKFFDP-GNXNZQSNSA-N 1 0 214.312 2.264 40 0 BEABRO CC[C@@H]1CCCC[N@@H+]1Cc1cc(N)nn1CC ZINC000408716927 384704951 /nfs/dbraw/zinc/70/49/51/384704951.db2.gz SSQJNHYVMSQKFX-LLVKDONJSA-N 1 0 236.363 2.080 40 0 BEABRO [NH3+][C@@H]1CCCN(Cc2cc(Cl)ccc2F)C1 ZINC000084551432 384742286 /nfs/dbraw/zinc/74/22/86/384742286.db2.gz WPXZCEZLJCPGTK-LLVKDONJSA-N 1 0 242.725 2.402 40 0 BEABRO Cc1ccc(C2(O)CC[NH+](C)CC2)cc1C ZINC000053303574 384783734 /nfs/dbraw/zinc/78/37/34/384783734.db2.gz NUAVIMYDHHQWQZ-UHFFFAOYSA-N 1 0 219.328 2.217 40 0 BEABRO Fc1ccc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000096311737 384881526 /nfs/dbraw/zinc/88/15/26/384881526.db2.gz BTFDAPXXIVKWFE-FGWVZKOKSA-N 1 0 206.264 2.219 40 0 BEABRO CCOc1ccccc1[C@H]1C[C@@H]1C[NH2+]C ZINC000054588680 384842897 /nfs/dbraw/zinc/84/28/97/384842897.db2.gz RIUBOBWEODBZEH-PWSUYJOCSA-N 1 0 205.301 2.408 40 0 BEABRO CCOc1ccc([C@H]2C[C@@H]2C[NH2+]C)cc1 ZINC000054588788 384843495 /nfs/dbraw/zinc/84/34/95/384843495.db2.gz NIFATAJCKVXGJO-DGCLKSJQSA-N 1 0 205.301 2.408 40 0 BEABRO CO[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000062711408 384848241 /nfs/dbraw/zinc/84/82/41/384848241.db2.gz DGOLESSIGARASK-CYBMUJFWSA-N 1 0 201.269 2.486 40 0 BEABRO [NH3+][C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000127873382 384957700 /nfs/dbraw/zinc/95/77/00/384957700.db2.gz HPLZQVPAYLSJEZ-MNOVXSKESA-N 1 0 238.128 2.364 40 0 BEABRO c1ccc([C@@H]2C[C@@H]2C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000071477097 384914248 /nfs/dbraw/zinc/91/42/48/384914248.db2.gz KJWVAYDVQDFQKH-CABCVRRESA-N 1 0 230.355 2.085 40 0 BEABRO CC[C@@H](C)c1noc([C@H]2CCC[NH2+]C2)n1 ZINC000057340782 384940719 /nfs/dbraw/zinc/94/07/19/384940719.db2.gz LIRWVCGSRVEEHM-BDAKNGLRSA-N 1 0 209.293 2.050 40 0 BEABRO CCOc1ccccc1CNCCC[NH+](C)C ZINC000057362367 384943134 /nfs/dbraw/zinc/94/31/34/384943134.db2.gz MGBBLBGOYVWKKG-UHFFFAOYSA-N 1 0 236.359 2.127 40 0 BEABRO Clc1cccc(Cl)c1CN[C@@H]1CC[NH2+]C1 ZINC000072203654 385055688 /nfs/dbraw/zinc/05/56/88/385055688.db2.gz MEFBIHWGLZLLPZ-MRVPVSSYSA-N 1 0 245.153 2.445 40 0 BEABRO C[C@@](CN)(c1ccccc1)[NH+]1CCCCC1 ZINC000059842762 385056736 /nfs/dbraw/zinc/05/67/36/385056736.db2.gz WJTVYSCXELPPQR-CQSZACIVSA-N 1 0 218.344 2.346 40 0 BEABRO CN(C)C(=O)C[C@H](c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000072208320 385061778 /nfs/dbraw/zinc/06/17/78/385061778.db2.gz GMIWDRXKQPCEEO-KGLIPLIRSA-N 1 0 246.354 2.001 40 0 BEABRO c1cc(NC2CCC2)ncc1[C@@H]1CCC[NH2+]1 ZINC000072213820 385084601 /nfs/dbraw/zinc/08/46/01/385084601.db2.gz AFCZPNIABDNSKA-LBPRGKRZSA-N 1 0 217.316 2.471 40 0 BEABRO COc1ncccc1[C@H]1CCCC[N@@H+]1C ZINC000072211733 385070243 /nfs/dbraw/zinc/07/02/43/385070243.db2.gz XVTVWKGBYRLWLE-LLVKDONJSA-N 1 0 206.289 2.247 40 0 BEABRO CC[N@@H+]1CCC[C@@H]1c1cccnc1NC ZINC000072212527 385075499 /nfs/dbraw/zinc/07/54/99/385075499.db2.gz LNAQVJAURCUJIK-LLVKDONJSA-N 1 0 205.305 2.280 40 0 BEABRO CCN(C)c1ncccc1[C@H]1CCC[N@@H+]1C ZINC000072212762 385077945 /nfs/dbraw/zinc/07/79/45/385077945.db2.gz AXRJDQCCIKNWOH-GFCCVEGCSA-N 1 0 219.332 2.304 40 0 BEABRO CCN(CC)c1ncccc1[C@@H]1CCC[NH2+]1 ZINC000072212878 385080172 /nfs/dbraw/zinc/08/01/72/385080172.db2.gz KFDLTBPAVJUFIQ-LBPRGKRZSA-N 1 0 219.332 2.352 40 0 BEABRO CC(C)(C)CC(C)(C)[NH2+]Cc1cnc(N)nc1 ZINC000062717387 385031780 /nfs/dbraw/zinc/03/17/80/385031780.db2.gz MVVHUWVPIOATKZ-UHFFFAOYSA-N 1 0 236.363 2.363 40 0 BEABRO CCCNc1ncc(C[NH2+]C(C)(C)C)cn1 ZINC000062717671 385041718 /nfs/dbraw/zinc/04/17/18/385041718.db2.gz KVZYEYFNIQCWRA-UHFFFAOYSA-N 1 0 222.336 2.187 40 0 BEABRO Cn1cnnc1C1CC[NH+](C2CCCCC2)CC1 ZINC000072187562 385043899 /nfs/dbraw/zinc/04/38/99/385043899.db2.gz WARATVKFJXBVFQ-UHFFFAOYSA-N 1 0 248.374 2.327 40 0 BEABRO O=CN1CCC[C@H]1c1cccnc1NC1CCC1 ZINC000072213885 385083507 /nfs/dbraw/zinc/08/35/07/385083507.db2.gz LRTULODMBKDUSZ-ZDUSSCGKSA-N 1 0 245.326 2.339 40 0 BEABRO Cc1cc([C@H](C)[NH3+])cnc1N1CCCCC1 ZINC000072222464 385111196 /nfs/dbraw/zinc/11/11/96/385111196.db2.gz GVBYJKSIGGUDSV-NSHDSACASA-N 1 0 219.332 2.400 40 0 BEABRO Cc1cc(N2CCCCC2)ncc1[C@H](C)O ZINC000072223498 385112401 /nfs/dbraw/zinc/11/24/01/385112401.db2.gz BWGYQVJRCPBJOI-NSHDSACASA-N 1 0 220.316 2.434 40 0 BEABRO CC[C@@H]([NH3+])c1ccc(NC2CC2)nc1C ZINC000072224861 385122067 /nfs/dbraw/zinc/12/20/67/385122067.db2.gz WUWOASITMQYKMT-LLVKDONJSA-N 1 0 205.305 2.374 40 0 BEABRO C=Cc1ccc(N2CC[NH+](C(C)C)CC2)nc1 ZINC000072225622 385125354 /nfs/dbraw/zinc/12/53/54/385125354.db2.gz KUAKHXFKFGBWQU-UHFFFAOYSA-N 1 0 231.343 2.255 40 0 BEABRO COc1ncc([C@H]2CCC[N@@H+]2C)cc1C ZINC000072217707 385089830 /nfs/dbraw/zinc/08/98/30/385089830.db2.gz NPDBNJLQYSNVAY-LLVKDONJSA-N 1 0 206.289 2.165 40 0 BEABRO COc1ccc([C@@H]2CCCC[NH2+]2)c(C)n1 ZINC000072218088 385090985 /nfs/dbraw/zinc/09/09/85/385090985.db2.gz MUOYZWHKQHKTCB-NSHDSACASA-N 1 0 206.289 2.213 40 0 BEABRO CNc1ncc(C2=[NH+]CCCC2)cc1C ZINC000072218991 385105189 /nfs/dbraw/zinc/10/51/89/385105189.db2.gz WWHPKYQKWLIAIH-UHFFFAOYSA-N 1 0 203.289 2.405 40 0 BEABRO Cc1nc(N(C)C)ccc1[C@@H]1CCCC[NH2+]1 ZINC000072218752 385105627 /nfs/dbraw/zinc/10/56/27/385105627.db2.gz IDLARQBNWVZAHE-LBPRGKRZSA-N 1 0 219.332 2.271 40 0 BEABRO [NH3+][C@@H]1C[C@@H](C(F)(F)F)Cc2occc21 ZINC000085399131 385163819 /nfs/dbraw/zinc/16/38/19/385163819.db2.gz WTRHZUQGCLVJNE-IYSWYEEDSA-N 1 0 205.179 2.404 40 0 BEABRO [NH3+][C@@H]1C[C@H](C(F)(F)F)Cc2occc21 ZINC000085399126 385165164 /nfs/dbraw/zinc/16/51/64/385165164.db2.gz WTRHZUQGCLVJNE-CAHLUQPWSA-N 1 0 205.179 2.404 40 0 BEABRO Cc1ccc(COC2CC3(C[NH2+]C3)C2)cc1 ZINC000096509105 385239012 /nfs/dbraw/zinc/23/90/12/385239012.db2.gz XPNFQSVSEVTRGB-UHFFFAOYSA-N 1 0 217.312 2.264 40 0 BEABRO Cc1ccc2c(c1)[C@H]1CCC[C@H]3[NH2+]CCN2[C@H]13 ZINC000064038112 385244007 /nfs/dbraw/zinc/24/40/07/385244007.db2.gz GMKHTMHRPNKUFI-UXIGCNINSA-N 1 0 228.339 2.423 40 0 BEABRO C[NH2+][C@H]1CCN(C)Cc2ccc(Cl)cc21 ZINC000096509729 385246454 /nfs/dbraw/zinc/24/64/54/385246454.db2.gz QXNZHHHTZVDUPM-LBPRGKRZSA-N 1 0 224.735 2.436 40 0 BEABRO CC(C)Cn1c2ccncc2nc1[C@H](C)[NH3+] ZINC000096510508 385248476 /nfs/dbraw/zinc/24/84/76/385248476.db2.gz NGWGCAAUZTVXOA-VIFPVBQESA-N 1 0 218.304 2.107 40 0 BEABRO CO[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000096511314 385252474 /nfs/dbraw/zinc/25/24/74/385252474.db2.gz WEIZCDNJWXGFBP-ZDUSSCGKSA-N 1 0 205.301 2.297 40 0 BEABRO CSCC[C@H](N)C[N@H+](C)C1CCCCC1 ZINC000096523859 385268858 /nfs/dbraw/zinc/26/88/58/385268858.db2.gz KDYCGPHBOVVHAU-NSHDSACASA-N 1 0 230.421 2.331 40 0 BEABRO [NH3+][C@H]1CCN(CCCCc2ccccc2)C1 ZINC000096523507 385269227 /nfs/dbraw/zinc/26/92/27/385269227.db2.gz QDCDHPAYFIOVID-AWEZNQCLSA-N 1 0 218.344 2.042 40 0 BEABRO CCCCN(CC[NH2+]C)Cc1ccco1 ZINC000096523941 385271456 /nfs/dbraw/zinc/27/14/56/385271456.db2.gz MFBBRMPPBJXJQU-UHFFFAOYSA-N 1 0 210.321 2.101 40 0 BEABRO [NH3+]C[C@]1(CO)C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000062713456 385698401 /nfs/dbraw/zinc/69/84/01/385698401.db2.gz UBDQFPICMKRFMH-KCJUWKMLSA-N 1 0 246.137 2.418 40 0 BEABRO Clc1ccc2nc(C3CC[NH2+]CC3)oc2n1 ZINC000026460132 385704966 /nfs/dbraw/zinc/70/49/66/385704966.db2.gz HKBWNTGZEUZWTR-UHFFFAOYSA-N 1 0 237.690 2.343 40 0 BEABRO Cc1cn(C)c([C@@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000257217747 385753218 /nfs/dbraw/zinc/75/32/18/385753218.db2.gz DAKDCPADMDIFSH-ZDUSSCGKSA-N 1 0 249.358 2.044 40 0 BEABRO Cc1c[nH]c([C@@H]2C[N@@H+](C3CCCCC3)CCO2)n1 ZINC000257255380 385757551 /nfs/dbraw/zinc/75/75/51/385757551.db2.gz KHFGQXLMXJXDQN-ZDUSSCGKSA-N 1 0 249.358 2.424 40 0 BEABRO Cc1cc(-c2cccc(C3CC[NH2+]CC3)n2)n[nH]1 ZINC000257286879 385760067 /nfs/dbraw/zinc/76/00/67/385760067.db2.gz PNLMBPTYZGMSSG-UHFFFAOYSA-N 1 0 242.326 2.247 40 0 BEABRO CC(C)[C@H]1[N@H+](Cc2cncnc2)CC1(C)C ZINC000294078931 385799727 /nfs/dbraw/zinc/79/97/27/385799727.db2.gz YXBWVTSVXBCLHS-GFCCVEGCSA-N 1 0 219.332 2.343 40 0 BEABRO CN(CC[NH3+])Cc1cccc(C(F)(F)F)c1 ZINC000096319871 385911968 /nfs/dbraw/zinc/91/19/68/385911968.db2.gz ZLPHPPZVUCPTEZ-UHFFFAOYSA-N 1 0 232.249 2.096 40 0 BEABRO [NH3+][C@H]1CCNc2ccc(Br)cc21 ZINC000095742363 385882926 /nfs/dbraw/zinc/88/29/26/385882926.db2.gz ATLBJDKNFBCSSX-QMMMGPOBSA-N 1 0 227.105 2.265 40 0 BEABRO CC(C)(C)OC(=O)N1CCCC12CC(C[NH3+])C2 ZINC000261508711 386029163 /nfs/dbraw/zinc/02/91/63/386029163.db2.gz WDACZZFUFAIDOL-UHFFFAOYSA-N 1 0 240.347 2.125 40 0 BEABRO C[C@@]1(c2ccc(Cl)cc2)CC(C[NH3+])=NO1 ZINC000222551128 386053294 /nfs/dbraw/zinc/05/32/94/386053294.db2.gz RXHVOIDDRDXAMU-NSHDSACASA-N 1 0 224.691 2.290 40 0 BEABRO c1ccc(N2CC[NH2+][C@H]3CCCC[C@@H]32)cc1 ZINC000218831731 386060144 /nfs/dbraw/zinc/06/01/44/386060144.db2.gz DWNQWSQAKMLZFG-KBPBESRZSA-N 1 0 216.328 2.407 40 0 BEABRO CCc1ccc(C[NH2+]C[C@@H]2CCCO2)n1CC ZINC000226019714 386231829 /nfs/dbraw/zinc/23/18/29/386231829.db2.gz GCXHNYCMTFBDNT-AWEZNQCLSA-N 1 0 236.359 2.339 40 0 BEABRO c1coc(Cc2ccc(C[NH2+]C3CC3)[nH]2)c1 ZINC000226021197 386233009 /nfs/dbraw/zinc/23/30/09/386233009.db2.gz JZNZZMDHNRIZJV-UHFFFAOYSA-N 1 0 216.284 2.451 40 0 BEABRO Cc1c[nH]nc1C[N@H+]1CC(C)(C)C[C@H]1C ZINC000335264237 386295308 /nfs/dbraw/zinc/29/53/08/386295308.db2.gz YQPPSCKHOHNNEK-SNVBAGLBSA-N 1 0 207.321 2.339 40 0 BEABRO COC(=O)c1cccc([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000265540677 386347450 /nfs/dbraw/zinc/34/74/50/386347450.db2.gz NIOGYEYZJWSVBN-ZSOGYDGISA-N 1 0 245.322 2.471 40 0 BEABRO c1ccc(C[NH2+]CCN2CCCCC2)cc1 ZINC000022073570 386367940 /nfs/dbraw/zinc/36/79/40/386367940.db2.gz SFKMQLIZJKXFIX-UHFFFAOYSA-N 1 0 218.344 2.262 40 0 BEABRO Cc1ccc(N[C@H]2CCC[C@H]2[NH3+])c(F)c1 ZINC000218884685 386510883 /nfs/dbraw/zinc/51/08/83/386510883.db2.gz BWUPPTTVUKAZBA-PWSUYJOCSA-N 1 0 208.280 2.426 40 0 BEABRO CC(C)(C)c1ccc2c(c1)C[C@H](C[NH3+])O2 ZINC000218746335 386546595 /nfs/dbraw/zinc/54/65/95/386546595.db2.gz XSMWHWHUOXVWEX-LLVKDONJSA-N 1 0 205.301 2.246 40 0 BEABRO c1ccc2c(c1)C[C@H](C[NH+]1CCSCC1)N2 ZINC000087655850 386958338 /nfs/dbraw/zinc/95/83/38/386958338.db2.gz YMZYTNWAJQQRRN-GFCCVEGCSA-N 1 0 234.368 2.072 40 0 BEABRO c1ccc2c(c1)C[C@H](C[NH+]1CCCC1)N2 ZINC000087655840 386959922 /nfs/dbraw/zinc/95/99/22/386959922.db2.gz UHAZNZBTNMEFAT-GFCCVEGCSA-N 1 0 202.301 2.119 40 0 BEABRO [NH3+]CCc1nc(-c2cccs2)cs1 ZINC000011887275 386998946 /nfs/dbraw/zinc/99/89/46/386998946.db2.gz FPIAVINQILLWOD-UHFFFAOYSA-N 1 0 210.327 2.373 40 0 BEABRO CO[C@@H](C)CN1CCn2c(cc3ccccc32)C1 ZINC000336029878 387010873 /nfs/dbraw/zinc/01/08/73/387010873.db2.gz BXDXPCKOGXSDRO-LBPRGKRZSA-N 1 0 244.338 2.492 40 0 BEABRO C[NH+](C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000100809440 387270867 /nfs/dbraw/zinc/27/08/67/387270867.db2.gz BAKQGMLJAGYMQC-PHIMTYICSA-N 1 0 242.363 2.384 40 0 BEABRO CCCCCC[NH2+]Cc1cn(C)nc1C ZINC000125919657 387852424 /nfs/dbraw/zinc/85/24/24/387852424.db2.gz DIMZCVAPNSQACT-UHFFFAOYSA-N 1 0 209.337 2.398 40 0 BEABRO C[NH+]1CCC(COc2c(N)cccc2F)CC1 ZINC000067800858 387854798 /nfs/dbraw/zinc/85/47/98/387854798.db2.gz YHSBXNIFUWJADM-UHFFFAOYSA-N 1 0 238.306 2.129 40 0 BEABRO Fc1ccc(Cl)cc1CNC1CC[NH2+]CC1 ZINC000067802907 387854888 /nfs/dbraw/zinc/85/48/88/387854888.db2.gz WKOLLZMMOHCQET-UHFFFAOYSA-N 1 0 242.725 2.321 40 0 BEABRO FCCn1cc(C[NH2+]Cc2cccs2)cn1 ZINC000256051482 387858921 /nfs/dbraw/zinc/85/89/21/387858921.db2.gz JIDZWSGWGPUMRW-UHFFFAOYSA-N 1 0 239.319 2.204 40 0 BEABRO Fc1ccc(C[NH2+]C[C@H]2CCCO2)s1 ZINC000256050103 387859031 /nfs/dbraw/zinc/85/90/31/387859031.db2.gz CRLYXWSYPKGLFN-MRVPVSSYSA-N 1 0 215.293 2.156 40 0 BEABRO OC[C@@]1(c2ccccc2)CC[N@@H+]2CCCC[C@H]21 ZINC000245240297 388086635 /nfs/dbraw/zinc/08/66/35/388086635.db2.gz QKDCTUBAQIWOAZ-LSDHHAIUSA-N 1 0 231.339 2.175 40 0 BEABRO COc1ccccc1[C@@H](C[NH3+])N1CCC[C@@H](C)C1 ZINC000216076820 388352034 /nfs/dbraw/zinc/35/20/34/388352034.db2.gz AWACISUOWGQNCH-TZMCWYRMSA-N 1 0 248.370 2.427 40 0 BEABRO COC(=O)c1ccc([C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000038539404 388373365 /nfs/dbraw/zinc/37/33/65/388373365.db2.gz YBAPBDMANHJSFV-SNVBAGLBSA-N 1 0 237.274 2.079 40 0 BEABRO [NH3+]CCc1cnc(-c2ccsc2)s1 ZINC000218675874 388391016 /nfs/dbraw/zinc/39/10/16/388391016.db2.gz IDNMYQIWGPAFGR-UHFFFAOYSA-N 1 0 210.327 2.373 40 0 BEABRO COc1ccccc1N1CC[NH2+][C@@H]2CCC[C@H]21 ZINC000218844100 388393196 /nfs/dbraw/zinc/39/31/96/388393196.db2.gz MRRFDVJNTZLNCG-VXGBXAGGSA-N 1 0 232.327 2.026 40 0 BEABRO [NH3+]C[C@H](CC(=O)N1CCCCC1)c1ccccc1 ZINC000057535798 388627393 /nfs/dbraw/zinc/62/73/93/388627393.db2.gz ADVPMOGQHPMFOD-AWEZNQCLSA-N 1 0 246.354 2.132 40 0 BEABRO C[C@@H](O[C@@H]1CC[NH2+]C1)c1ccc(Cl)nc1 ZINC000252479942 388652896 /nfs/dbraw/zinc/65/28/96/388652896.db2.gz BQKOJNOSEHXUHY-PSASIEDQSA-N 1 0 226.707 2.175 40 0 BEABRO Cc1cc(C)nc(NCC[NH2+]CCC(C)C)n1 ZINC000062717886 388656219 /nfs/dbraw/zinc/65/62/19/388656219.db2.gz ONRYMXZWWDRGHS-UHFFFAOYSA-N 1 0 236.363 2.141 40 0 BEABRO CCC[C@]12CCC(=O)N1[C@H]1CCCC[C@H]1[NH2+]2 ZINC000251116473 388745257 /nfs/dbraw/zinc/74/52/57/388745257.db2.gz HFBNSQOMCGXKBX-NTZNESFSSA-N 1 0 222.332 2.020 40 0 BEABRO FC(F)(F)c1cc([C@H]2CCCC[NH2+]2)[nH]n1 ZINC000019686246 388745381 /nfs/dbraw/zinc/74/53/81/388745381.db2.gz NIKHHHYYFBSTGU-ZCFIWIBFSA-N 1 0 219.210 2.243 40 0 BEABRO c1ccc2c(c1)snc2NC1CC[NH2+]CC1 ZINC000079440593 388696133 /nfs/dbraw/zinc/69/61/33/388696133.db2.gz RBFMWQURCFTJKH-UHFFFAOYSA-N 1 0 233.340 2.460 40 0 BEABRO [NH3+]C[C@@H](c1c(F)cccc1F)N1CCCCC1 ZINC000095098741 388759390 /nfs/dbraw/zinc/75/93/90/388759390.db2.gz WGHRSCWLDDGEMA-LBPRGKRZSA-N 1 0 240.297 2.451 40 0 BEABRO Cc1ccc(CN2CCCC[C@@H]2C[NH3+])cc1F ZINC000096320094 388815536 /nfs/dbraw/zinc/81/55/36/388815536.db2.gz YSUGNFZYKJKBSM-CYBMUJFWSA-N 1 0 236.334 2.447 40 0 BEABRO c1ccc(CCN2CC[NH2+][C@@H]3CCC[C@@H]32)cc1 ZINC000225715330 388840760 /nfs/dbraw/zinc/84/07/60/388840760.db2.gz YOPZJKSQSZBINE-CABCVRRESA-N 1 0 230.355 2.055 40 0 BEABRO Fc1ccc(F)c(N2CC[NH2+][C@H]3CCC[C@@H]32)c1 ZINC000225717525 388840811 /nfs/dbraw/zinc/84/08/11/388840811.db2.gz SKVSERVTWVFWIX-RYUDHWBXSA-N 1 0 238.281 2.296 40 0 BEABRO Fc1ccc(N2CC[NH2+][C@H]3CCC[C@@H]32)cc1F ZINC000225717824 388842155 /nfs/dbraw/zinc/84/21/55/388842155.db2.gz APKZMGFTMSSXLC-STQMWFEESA-N 1 0 238.281 2.296 40 0 BEABRO Cc1cccc(N2CC[NH+](C)CC2)c1C ZINC000060316587 132368676 /nfs/dbraw/zinc/36/86/76/132368676.db2.gz LIUIPCJRXZDWCQ-UHFFFAOYSA-N 1 0 204.317 2.055 40 0 BEABRO Fc1ccccc1N1CC[NH2+][C@@H]2CCC[C@H]21 ZINC000218845394 132290825 /nfs/dbraw/zinc/29/08/25/132290825.db2.gz GLTPNMWLBDHGSZ-DGCLKSJQSA-N 1 0 220.291 2.156 40 0 BEABRO Cc1c[nH+]c(N2C[C@H](C)C[C@H](C)C2)c(N)c1 ZINC000085425123 132426890 /nfs/dbraw/zinc/42/68/90/132426890.db2.gz KVKOJSQHWRZHQZ-PHIMTYICSA-N 1 0 219.332 2.455 40 0 BEABRO CSc1c2c(cc3c1CN(C)CC3)OCO2 ZINC000261829801 135111997 /nfs/dbraw/zinc/11/19/97/135111997.db2.gz RFTQCTFWYGRFKK-UHFFFAOYSA-N 1 0 237.324 2.125 40 0 BEABRO [NH3+]C[C@@H](c1cc(F)ccc1F)N1CCCCC1 ZINC000037233510 397990793 /nfs/dbraw/zinc/99/07/93/397990793.db2.gz JRJHALBZLWFAFK-ZDUSSCGKSA-N 1 0 240.297 2.451 40 0 BEABRO [NH3+]Cc1nc(-c2ccccc2)n2c1CCCC2 ZINC000084017895 398075835 /nfs/dbraw/zinc/07/58/35/398075835.db2.gz RQQFVYQBIMWRTL-UHFFFAOYSA-N 1 0 227.311 2.345 40 0 BEABRO CCc1cccc(C)c1NC(=O)C[NH2+]C1CC1 ZINC000037386612 322902439 /nfs/dbraw/zinc/90/24/39/322902439.db2.gz VRAYEAKSQQPMRN-UHFFFAOYSA-N 1 0 232.327 2.248 40 0 BEABRO [NH3+][C@@H]1CCCC[C@H]1NCc1cccc(F)c1 ZINC000072411158 410027736 /nfs/dbraw/zinc/02/77/36/410027736.db2.gz RZBAYURBQUDRQO-CHWSQXEVSA-N 1 0 222.307 2.185 40 0 BEABRO Br[C@]12CCCC[C@H]1C[NH2+]CC2 ZINC000000158435 166095858 /nfs/dbraw/zinc/09/58/58/166095858.db2.gz FPUFEUQHVSBEPE-IUCAKERBSA-N 1 0 218.138 2.304 40 0 BEABRO CC(C)C[NH2+]Cc1cnn(CC(C)C)c1 ZINC000054720233 167010318 /nfs/dbraw/zinc/01/03/18/167010318.db2.gz FZMUGSVBEWGFMA-UHFFFAOYSA-N 1 0 209.337 2.285 40 0 BEABRO CC(C)[N@@H+]1CCc2onc(Cn3cccc3)c2C1 ZINC000096084842 167027801 /nfs/dbraw/zinc/02/78/01/167027801.db2.gz YHBRFSXUHZPQQA-UHFFFAOYSA-N 1 0 245.326 2.291 40 0 BEABRO CC(C)Nc1ccc(C[C@H]2CC[NH2+]C2)cn1 ZINC000072388950 167144931 /nfs/dbraw/zinc/14/49/31/167144931.db2.gz BHPBEWLVXXKBRP-GFCCVEGCSA-N 1 0 219.332 2.054 40 0 BEABRO CC(C)OCCC[NH2+]Cc1ccnn1C(F)F ZINC000256049868 167222441 /nfs/dbraw/zinc/22/24/41/167222441.db2.gz BUMIEQHKDZFYRW-UHFFFAOYSA-N 1 0 247.289 2.183 40 0 BEABRO CC(C)O[C@H](C[NH3+])c1c(F)cccc1F ZINC000062711814 167282572 /nfs/dbraw/zinc/28/25/72/167282572.db2.gz DJHWTFSINYGMKK-SNVBAGLBSA-N 1 0 215.243 2.390 40 0 BEABRO CC(C)[C@@H](C)[NH2+]CCC(=O)OC(C)(C)C ZINC000047218967 167380754 /nfs/dbraw/zinc/38/07/54/167380754.db2.gz WUBNFVTVTRIVDK-SNVBAGLBSA-N 1 0 215.337 2.352 40 0 BEABRO CC[NH+](CC)Cc1ccc2c(c1)OCO2 ZINC000001696559 169790962 /nfs/dbraw/zinc/79/09/62/169790962.db2.gz YYRWIUPWYZOQBV-UHFFFAOYSA-N 1 0 207.273 2.257 40 0 BEABRO CC(C)c1ccc(C[NH2+]CCN(C)C)cc1 ZINC000022076456 167597170 /nfs/dbraw/zinc/59/71/70/167597170.db2.gz CSLICQKUPIIGAY-UHFFFAOYSA-N 1 0 220.360 2.461 40 0 BEABRO CC1=C(c2ccc(C)cc2)[N+](=O)C(C)(C)N1O ZINC000019324329 168139022 /nfs/dbraw/zinc/13/90/22/168139022.db2.gz KBRGXJKXOFPNJO-UHFFFAOYSA-N 1 0 232.283 2.015 40 0 BEABRO CC1CC(C[NH3+])([C@H](O)c2ccccc2)C1 ZINC000085396228 168139445 /nfs/dbraw/zinc/13/94/45/168139445.db2.gz HLZCBYZEUIZRQS-YXMLORGKSA-N 1 0 205.301 2.095 40 0 BEABRO CCN1Cc2nccn2C[C@@H]1c1ccccc1 ZINC000257232557 170040881 /nfs/dbraw/zinc/04/08/81/170040881.db2.gz GLJIYZKGUSESLF-CYBMUJFWSA-N 1 0 227.311 2.460 40 0 BEABRO CC[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000019514069 170108054 /nfs/dbraw/zinc/10/80/54/170108054.db2.gz SJWKLNGMIHLOJX-UHFFFAOYSA-N 1 0 218.344 2.261 40 0 BEABRO CC[NH2+]CC[C@@H](CCO)c1ccc(C)cc1 ZINC000217800467 170116701 /nfs/dbraw/zinc/11/67/01/170116701.db2.gz JJPLGLMAYAFFQS-AWEZNQCLSA-N 1 0 221.344 2.461 40 0 BEABRO CC[NH2+]Cc1ccccc1OCC(F)F ZINC000037755465 170129740 /nfs/dbraw/zinc/12/97/40/170129740.db2.gz QVSMUJQHUPIJEB-UHFFFAOYSA-N 1 0 215.243 2.440 40 0 BEABRO CC[NH2+][C@@H](C)C(=O)c1ccc(CC)cc1 ZINC000041608810 170137665 /nfs/dbraw/zinc/13/76/65/170137665.db2.gz FAXVCSOMTSWQNT-JTQLQIEISA-N 1 0 205.301 2.430 40 0 in-vitro BEABRO CCOC(=O)CC1[C@@H](C)[C@@H](C)[NH2+][C@H](C)[C@@H]1C ZINC000004972510 170198159 /nfs/dbraw/zinc/19/81/59/170198159.db2.gz KZLXDLZVUUMHCG-UKKRHICBSA-N 1 0 227.348 2.208 40 0 BEABRO CCOC(=O)CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000036671335 170206854 /nfs/dbraw/zinc/20/68/54/170206854.db2.gz AHWZPSGTCFEGAT-PHIMTYICSA-N 1 0 213.321 2.203 40 0 BEABRO CCOC(=O)c1c(C)[nH]c(C2=[NH+]CCC2)c1C ZINC000004934518 170287770 /nfs/dbraw/zinc/28/77/70/170287770.db2.gz JVGNVBCAUXTQBN-UHFFFAOYSA-N 1 0 234.299 2.391 40 0 BEABRO CCOC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000034062346 170295062 /nfs/dbraw/zinc/29/50/62/170295062.db2.gz FWCRTZXYGXEURQ-UHFFFAOYSA-N 1 0 223.272 2.052 40 0 BEABRO CCOC1(c2ccccc2)CC[NH2+]CC1 ZINC000001580840 170319835 /nfs/dbraw/zinc/31/98/35/170319835.db2.gz GMBVQDPSOSICDP-UHFFFAOYSA-N 1 0 205.301 2.302 40 0 BEABRO CCOCCC[NH2+]Cc1ccnn1[C@@H](C)CC ZINC000256054958 170381134 /nfs/dbraw/zinc/38/11/34/170381134.db2.gz YMLGKAGLRWSHEF-LBPRGKRZSA-N 1 0 239.363 2.370 40 0 BEABRO CCOCCC[NH2+]Cc1ccccc1OC ZINC000006536907 170381930 /nfs/dbraw/zinc/38/19/30/170381930.db2.gz LHMNXXNIKGBETP-UHFFFAOYSA-N 1 0 223.316 2.211 40 0 BEABRO CCOc1cc(C[NH2+]C(C)C)ccc1O ZINC000019880368 170521915 /nfs/dbraw/zinc/52/19/15/170521915.db2.gz GBNGJHKXBPDTBG-UHFFFAOYSA-N 1 0 209.289 2.289 40 0 BEABRO CC[C@@H]1CN(C(=O)OCc2ccccc2)CC[NH2+]1 ZINC000015022048 171067305 /nfs/dbraw/zinc/06/73/05/171067305.db2.gz QTRLCDJCCBXKQC-CYBMUJFWSA-N 1 0 248.326 2.007 40 0 BEABRO CC[C@@H]1C[NH2+]CCN1C(=O)OCc1ccccc1 ZINC000015022042 171100945 /nfs/dbraw/zinc/10/09/45/171100945.db2.gz VIUQBJBRYSNMKS-CYBMUJFWSA-N 1 0 248.326 2.007 40 0 BEABRO CC[C@@](C)(C(=O)OC)[NH+]1CCC(C)CC1 ZINC000022123482 171164377 /nfs/dbraw/zinc/16/43/77/171164377.db2.gz VXUVXYLGQNSDNZ-LBPRGKRZSA-N 1 0 213.321 2.060 40 0 BEABRO CC[C@H](C)Oc1ccc(C[NH3+])cc1OC ZINC000020217256 171355816 /nfs/dbraw/zinc/35/58/16/171355816.db2.gz TWIHOADTIAPKTM-VIFPVBQESA-N 1 0 209.289 2.331 40 0 BEABRO CC[C@H](CO)[NH2+]C/C=C/c1ccccc1 ZINC000006542123 171450592 /nfs/dbraw/zinc/45/05/92/171450592.db2.gz DFLZFWRORFEHIO-YSKGHYERSA-N 1 0 205.301 2.060 40 0 BEABRO CCc1ccc(C[NH2+]CCCOC)n1CC ZINC000226019684 171805013 /nfs/dbraw/zinc/80/50/13/171805013.db2.gz KRNCJNYTRIDWDE-UHFFFAOYSA-N 1 0 224.348 2.197 40 0 BEABRO CCn1c(C)cc(C[NH2+]CCCOC)c1C ZINC000086592095 172135472 /nfs/dbraw/zinc/13/54/72/172135472.db2.gz YWWJMBSGRQATIB-UHFFFAOYSA-N 1 0 224.348 2.251 40 0 BEABRO C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000034160215 173001404 /nfs/dbraw/zinc/00/14/04/173001404.db2.gz XPTCNYMFBHNSHR-UHFFFAOYSA-N 1 0 215.300 2.372 40 0 BEABRO C[N@@H+]1CCCC[C@@H]1[C@@](C)(O)c1ccccc1 ZINC000004777753 173006461 /nfs/dbraw/zinc/00/64/61/173006461.db2.gz LXDBGLKINLPWMY-KGLIPLIRSA-N 1 0 219.328 2.378 40 0 BEABRO C[N@@H+]1CCCC[C@@H]1[C@](C)(O)c1ccccc1 ZINC000004777752 173006834 /nfs/dbraw/zinc/00/68/34/173006834.db2.gz LXDBGLKINLPWMY-ZIAGYGMSSA-N 1 0 219.328 2.378 40 0 BEABRO C[N@@H+]1CCC[C@@]2(CCN(Cc3ccco3)C2)C1 ZINC000096215219 173039551 /nfs/dbraw/zinc/03/95/51/173039551.db2.gz SKEBJGKZJGRVFH-CQSZACIVSA-N 1 0 234.343 2.197 40 0 BEABRO C[N@@H+]1CCC[C@H](c2cccc3nccn32)C1 ZINC000257326720 173049209 /nfs/dbraw/zinc/04/92/09/173049209.db2.gz WYHSVWHQSPTQPP-NSHDSACASA-N 1 0 215.300 2.144 40 0 BEABRO C[N@@H+]1CC[C@@]2(CO2)c2cc(Cl)ccc2C1 ZINC000096510471 173141741 /nfs/dbraw/zinc/14/17/41/173141741.db2.gz HFRKUBWZPADPJK-GFCCVEGCSA-N 1 0 223.703 2.401 40 0 BEABRO C[N@@H+]1CC[C@]2(C)C[C@H]1Cc1ccc(O)cc12 ZINC000001687740 173164804 /nfs/dbraw/zinc/16/48/04/173164804.db2.gz SGPDQCOZBVOUMT-BXUZGUMPSA-N 1 0 217.312 2.300 40 0 BEABRO C[NH2+]C1CCN(Cc2ccccc2C)CC1 ZINC000037469347 173322562 /nfs/dbraw/zinc/32/25/62/173322562.db2.gz KTZBYAOFMQNKOH-UHFFFAOYSA-N 1 0 218.344 2.179 40 0 BEABRO C[NH2+]CC(=O)Nc1cccc(Cl)c1Cl ZINC000020246470 173334083 /nfs/dbraw/zinc/33/40/83/173334083.db2.gz ATZLLFBIRPCASZ-UHFFFAOYSA-N 1 0 233.098 2.151 40 0 BEABRO C[NH2+]CCCNCc1c(F)cccc1Cl ZINC000057362441 173349157 /nfs/dbraw/zinc/34/91/57/173349157.db2.gz NYEZHVBUPFCBBR-UHFFFAOYSA-N 1 0 230.714 2.178 40 0 BEABRO C[NH2+]C[C@@H](OC(C)C)c1ccc2c(c1)OCO2 ZINC000062711646 173366331 /nfs/dbraw/zinc/36/63/31/173366331.db2.gz PJVVURLBTSPCQM-CYBMUJFWSA-N 1 0 237.299 2.101 40 0 BEABRO C[NH2+]C[C@@H]1C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000054588494 173372059 /nfs/dbraw/zinc/37/20/59/173372059.db2.gz VCUMKLYDJBVZEY-WDEREUQCSA-N 1 0 221.300 2.027 40 0 BEABRO C[NH2+]C[C@H](OC(C)C)c1ccccc1OC ZINC000050483694 173377578 /nfs/dbraw/zinc/37/75/78/173377578.db2.gz NIGQRCNLDIYZPL-ZDUSSCGKSA-N 1 0 223.316 2.381 40 0 BEABRO C[NH2+]Cc1cc(-c2ccc(OC)c(OC)c2)on1 ZINC000035655530 173386443 /nfs/dbraw/zinc/38/64/43/173386443.db2.gz XBMOSVUENYWNNP-UHFFFAOYSA-N 1 0 248.282 2.078 40 0 BEABRO COC1(OC)CC2(C[NH2+][C@@H]2c2ccccc2)C1 ZINC000390822117 174008921 /nfs/dbraw/zinc/00/89/21/174008921.db2.gz GLJIKVXMKLAHOS-GFCCVEGCSA-N 1 0 233.311 2.100 40 0 BEABRO COCCC[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000020142419 174249295 /nfs/dbraw/zinc/24/92/95/174249295.db2.gz UBQYJRPRGPVPOF-NSHDSACASA-N 1 0 223.316 2.382 40 0 BEABRO CO[C@H]1C[C@H]2c3ccccc3[C@@H]1C(C)=[N+]2C ZINC000005121023 174906932 /nfs/dbraw/zinc/90/69/32/174906932.db2.gz IUNKJZBVWKZYJV-IHRRRGAJSA-N 1 0 216.304 2.347 40 0 BEABRO COc1ccc(CC2(C[NH3+])CCC2)cc1 ZINC000098214095 175088127 /nfs/dbraw/zinc/08/81/27/175088127.db2.gz RNNQPUSZSNFXJL-UHFFFAOYSA-N 1 0 205.301 2.367 40 0 BEABRO COc1ccc(F)cc1[C@@H]1CCC[NH2+]C1 ZINC000038539390 175133421 /nfs/dbraw/zinc/13/34/21/175133421.db2.gz FDFYXYUUSDQOOE-SECBINFHSA-N 1 0 209.264 2.301 40 0 BEABRO COc1ccc2[nH]c(C[NH2+]C(C)(C)C)nc2c1 ZINC000022122100 175228876 /nfs/dbraw/zinc/22/88/76/175228876.db2.gz UIPRCQOVASKECH-UHFFFAOYSA-N 1 0 233.315 2.460 40 0 BEABRO COc1cccc([C@@H](C[NH3+])N2CCC(C)CC2)c1 ZINC000038808884 175287985 /nfs/dbraw/zinc/28/79/85/175287985.db2.gz KCIUKWKSSGWHEG-OAHLLOKOSA-N 1 0 248.370 2.427 40 0 BEABRO COc1ccccc1CC1(C[NH3+])CCC1 ZINC000083570265 175321478 /nfs/dbraw/zinc/32/14/78/175321478.db2.gz VVIBZVFGGJCAFH-UHFFFAOYSA-N 1 0 205.301 2.367 40 0 BEABRO COc1ccccc1C[NH2+]Cc1cnn(C)c1C ZINC000012395227 175329894 /nfs/dbraw/zinc/32/98/94/175329894.db2.gz NGNRGPKPDOMLBI-UHFFFAOYSA-N 1 0 245.326 2.027 40 0 BEABRO C[C@@H](O[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000096529848 176003074 /nfs/dbraw/zinc/00/30/74/176003074.db2.gz BYYSIIGQQQFDCJ-BXKDBHETSA-N 1 0 209.264 2.265 40 0 BEABRO C[C@@H]1C[N@H+](C)CC[C@@]12Cc1ccccc1O2 ZINC000016698329 176269455 /nfs/dbraw/zinc/26/94/55/176269455.db2.gz VKECLJQIARTGLQ-BXUZGUMPSA-N 1 0 217.312 2.332 40 0 BEABRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)C[C@@H]1O ZINC000003162394 176306736 /nfs/dbraw/zinc/30/67/36/176306736.db2.gz LDTHAFXMNUJREZ-BZPMIXESSA-N 1 0 219.328 2.278 40 0 BEABRO C[C@@H]1C[C@@H](OC(=O)c2ccccc2)[C@H](C)C[NH2+]1 ZINC000005722290 176382636 /nfs/dbraw/zinc/38/26/36/176382636.db2.gz FKYVJLAHWSGDPJ-NQBHXWOUSA-N 1 0 233.311 2.230 40 0 BEABRO C[C@H](C[NH3+])c1cccc(OC(F)F)c1 ZINC000037245906 176662843 /nfs/dbraw/zinc/66/28/43/176662843.db2.gz ARDHVAPZVXMAEQ-SSDOTTSWSA-N 1 0 201.216 2.350 40 0 BEABRO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1C[NH3+] ZINC000261507410 177222343 /nfs/dbraw/zinc/22/23/43/177222343.db2.gz IDRNXYCTWDYUQX-WDEREUQCSA-N 1 0 242.363 2.228 40 0 BEABRO C[C@@H](CC(=O)N1CC[NH2+]C[C@@H]1C)CC(C)(C)C ZINC000054369983 177282876 /nfs/dbraw/zinc/28/28/76/177282876.db2.gz PGEYFXAHUPHRHL-RYUDHWBXSA-N 1 0 240.391 2.269 40 0 BEABRO C[C@H](C[S@@](C)=O)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000195565677 177371778 /nfs/dbraw/zinc/37/17/78/177371778.db2.gz POBCSSLFHBCOJT-NVGYGPBWSA-N 1 0 231.405 2.168 40 0 BEABRO C[C@H]1C[C@]1(C[NH3+])[C@@H](O)c1ccc(Cl)cc1 ZINC000216576191 177386779 /nfs/dbraw/zinc/38/67/79/177386779.db2.gz FMRUFLXRUIWCBX-KPXOXKRLSA-N 1 0 225.719 2.358 40 0 BEABRO COc1ccc([C@@H]2C[C@H]2[C@@H](C)[NH3+])c(OC)c1 ZINC000020392316 323090636 /nfs/dbraw/zinc/09/06/36/323090636.db2.gz RRLUYITYNNJRHP-ZHAHWJHGSA-N 1 0 221.300 2.155 40 0 BEABRO Clc1ccccc1CNC[C@@H]1CCC[NH2+]1 ZINC000072202834 487995088 /nfs/dbraw/zinc/99/50/88/487995088.db2.gz ZUXQKLVADHYGQM-NSHDSACASA-N 1 0 224.735 2.182 40 0 BEABRO C[NH2+]C[C@@H](O)Cc1ccccc1-c1ccccc1 ZINC000575624168 491098160 /nfs/dbraw/zinc/09/81/60/491098160.db2.gz OXXHOEDKXJLTTB-HNNXBMFYSA-N 1 0 241.334 2.476 40 0 BEABRO COc1cc(Cl)c(C)cc1CC(N)=[NH2+] ZINC000228950413 522507741 /nfs/dbraw/zinc/50/77/41/522507741.db2.gz NWCQAUZFVFXROK-UHFFFAOYSA-N 1 0 212.680 2.135 40 0 BEABRO Cc1cc(F)cc(Br)c1C[NH3+] ZINC000228954787 524933160 /nfs/dbraw/zinc/93/31/60/524933160.db2.gz MABRZBBYXKRIFG-UHFFFAOYSA-N 1 0 218.069 2.355 40 0 BEABRO NC(=[NH2+])Cc1cccc(C(F)(F)F)c1F ZINC000228969236 526818058 /nfs/dbraw/zinc/81/80/58/526818058.db2.gz GLFQYCHHYTYPRP-UHFFFAOYSA-N 1 0 220.169 2.323 40 0 BEABRO Cn1cc(Cc2ccccc2Cl)[nH+]c1N ZINC000199550729 527236406 /nfs/dbraw/zinc/23/64/06/527236406.db2.gz SBPIYNBGUOLCDC-UHFFFAOYSA-N 1 0 221.691 2.247 40 0 BEABRO CCOC(=O)[C@H](CC[NH+](C)C)Cc1ccccc1 ZINC000504300638 528013127 /nfs/dbraw/zinc/01/31/27/528013127.db2.gz LVGYZCJPDTZCNY-CQSZACIVSA-N 1 0 249.354 2.360 40 0 BEABRO COc1ccc(NC(=O)[C@@H]2CCCCC[NH2+]2)cc1 ZINC000080992900 536804701 /nfs/dbraw/zinc/80/47/01/536804701.db2.gz QCFNIMQVJGKILK-ZDUSSCGKSA-N 1 0 248.326 2.166 40 0 BEABRO COc1cc(OC)cc(C2(C[NH3+])CCCC2)c1 ZINC000033487095 1167551281 /nfs/dbraw/zinc/55/12/81/1167551281.db2.gz XAUVNNLPQLHHRW-UHFFFAOYSA-N 1 0 235.327 2.474 40 0 BEABRO CN1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000034453824 1167573699 /nfs/dbraw/zinc/57/36/99/1167573699.db2.gz OUPOBONEBFRSPF-GJZGRUSLSA-N 1 0 230.355 2.213 40 0 BEABRO C[NH+](C)CC1CCCC[C@@]1(O)c1cccc(O)c1 ZINC001560407655 991468311 /nfs/dbraw/zinc/46/83/11/991468311.db2.gz ZBVZSOGEZOQBGZ-OAHLLOKOSA-N 1 0 248.346 2.290 40 0 BEABRO CC(C)(C)OC(=O)N[C@]12CC[C@H](CCC1)[C@@H]2[NH3+] ZINC000071373356 398147860 /nfs/dbraw/zinc/14/78/60/398147860.db2.gz UVLGMZFCEXVMIG-KWBADKCTSA-N 1 0 240.347 2.171 40 0 BEABRO Clc1ccc2c(c1)[C@H]1C[NH2+]CC[C@H]1N2 ZINC000071484544 398154086 /nfs/dbraw/zinc/15/40/86/398154086.db2.gz CTRPRBJZXMYEJI-MWLCHTKSSA-N 1 0 208.692 2.211 40 0 BEABRO Cc1cc(C[C@@H](C)[NH3+])nc2ccccc12 ZINC000082780276 178054459 /nfs/dbraw/zinc/05/44/59/178054459.db2.gz VPDRPPJJAAPPFR-SNVBAGLBSA-N 1 0 200.285 2.433 40 0 BEABRO Cc1cc(C[C@H]2CCC[C@@H]3C[N@@H+](C)C[C@@H]32)ncn1 ZINC000257302659 178057631 /nfs/dbraw/zinc/05/76/31/178057631.db2.gz SDTBOWSUVIKJHW-UMVBOHGHSA-N 1 0 245.370 2.305 40 0 BEABRO Cc1cc(F)ccc1N[C@@H]1CCC[C@@H]1[NH3+] ZINC000218881807 178090831 /nfs/dbraw/zinc/09/08/31/178090831.db2.gz HLUPJSZLMCWPKH-CMPLNLGQSA-N 1 0 208.280 2.426 40 0 BEABRO C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000074713343 398208119 /nfs/dbraw/zinc/20/81/19/398208119.db2.gz FFVXKXJVYNMPKL-UHFFFAOYSA-N 1 0 236.290 2.106 40 0 BEABRO C[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000074713420 398208131 /nfs/dbraw/zinc/20/81/31/398208131.db2.gz OXNXWPFRKKRBIC-UHFFFAOYSA-N 1 0 236.290 2.106 40 0 BEABRO Cc1ccc([C@H]2CC[N@@H+](C)C[C@H]2CO)cc1 ZINC000299803678 398216379 /nfs/dbraw/zinc/21/63/79/398216379.db2.gz PNSQELDDLYCOEM-UONOGXRCSA-N 1 0 219.328 2.023 40 0 BEABRO Cc1cc2ncccc2c2[nH+]c(N)n(C)c21 ZINC000001850165 178304966 /nfs/dbraw/zinc/30/49/66/178304966.db2.gz GMGWMIJIGUYNAY-UHFFFAOYSA-N 1 0 212.256 2.012 40 0 endogenous,in-man BEABRO Cc1ccc(-c2cnc(CC[NH3+])o2)c(C)c1 ZINC000036159387 178329211 /nfs/dbraw/zinc/32/92/11/178329211.db2.gz NEZGJHMWZRRLIE-UHFFFAOYSA-N 1 0 216.284 2.460 40 0 BEABRO OC[C@H](c1cccc(F)c1)[NH+]1CCCCC1 ZINC000070453020 259313448 /nfs/dbraw/zinc/31/34/48/259313448.db2.gz HBIZCOPXWWWKMB-CYBMUJFWSA-N 1 0 223.291 2.345 40 0 BEABRO CCOC(=O)C[C@@](C)(CC)[NH+](CC)CC ZINC000070824220 259314139 /nfs/dbraw/zinc/31/41/39/259314139.db2.gz TYFOWRZLODECRD-GFCCVEGCSA-N 1 0 215.337 2.450 40 0 BEABRO Cc1ccc(C(N)=[NH2+])c(Br)c1 ZINC000116938174 178368254 /nfs/dbraw/zinc/36/82/54/178368254.db2.gz YPSWPMHRGCOUHQ-UHFFFAOYSA-N 1 0 213.078 2.042 40 0 BEABRO CCOC(=O)C[C@H]([NH2+]C)c1ccc(F)cc1 ZINC000072210278 259316670 /nfs/dbraw/zinc/31/66/70/259316670.db2.gz HOSWPHPJGUPZOJ-NSHDSACASA-N 1 0 225.263 2.039 40 0 BEABRO CCC[N@@H+]1CCC[C@H]1c1ccc(=O)[nH]c1 ZINC000072212258 259317625 /nfs/dbraw/zinc/31/76/25/259317625.db2.gz BNOMTBWRTXVTRI-NSHDSACASA-N 1 0 206.289 2.334 40 0 BEABRO CC(C)C(=O)NCCCC[NH+]1CCCCC1 ZINC000001641604 342706785 /nfs/dbraw/zinc/70/67/85/342706785.db2.gz ORIIKAWMIQSXNL-UHFFFAOYSA-N 1 0 226.364 2.025 40 0 BEABRO CC(C)C(=O)[C@@H](CC[NH+](C)C)c1ccncc1 ZINC000001675590 342708164 /nfs/dbraw/zinc/70/81/64/342708164.db2.gz BSSNGXCXABKDEC-ZDUSSCGKSA-N 1 0 234.343 2.342 40 0 BEABRO CCOc1ccc2c(ccc(C)[n+]2C)c1 ZINC000001711812 342710616 /nfs/dbraw/zinc/71/06/16/342710616.db2.gz AQAJPMSIUDRFLJ-UHFFFAOYSA-N 1 0 202.277 2.371 40 0 BEABRO CC(C)[C@@H](C)Oc1ccccc1[C@H](O)C[NH3+] ZINC000072220128 259319303 /nfs/dbraw/zinc/31/93/03/259319303.db2.gz ITGCVAJWXCSFHD-ZYHUDNBSSA-N 1 0 223.316 2.102 40 0 BEABRO CC(C)[C@H](C)Oc1ccccc1[C@@H](O)C[NH3+] ZINC000072220131 259319441 /nfs/dbraw/zinc/31/94/41/259319441.db2.gz ITGCVAJWXCSFHD-JQWIXIFHSA-N 1 0 223.316 2.102 40 0 BEABRO CCC(CC)[NH2+]CCC(=O)OC(C)(C)C ZINC000047218950 168387078 /nfs/dbraw/zinc/38/70/78/168387078.db2.gz CZBOQYAKWRLLBX-UHFFFAOYSA-N 1 0 215.337 2.496 40 0 BEABRO CC[NH+](CC)CCNC(=O)Nc1ccc(C)cc1 ZINC000006462760 342778335 /nfs/dbraw/zinc/77/83/35/342778335.db2.gz RAEDPNRPEVCRNI-UHFFFAOYSA-N 1 0 249.358 2.458 40 0 BEABRO CC(C)[C@@H](C)Oc1ccccc1[C@@H](O)C[NH3+] ZINC000072220130 259319493 /nfs/dbraw/zinc/31/94/93/259319493.db2.gz ITGCVAJWXCSFHD-PWSUYJOCSA-N 1 0 223.316 2.102 40 0 BEABRO CCO[C@H](C[NH3+])c1cccc(Br)c1 ZINC000043022386 342785908 /nfs/dbraw/zinc/78/59/08/342785908.db2.gz AXMLUCLUVDRMIR-SNVBAGLBSA-N 1 0 244.132 2.485 40 0 BEABRO COc1cc(C)c([C@@H]([NH3+])c2ccccc2)cn1 ZINC000072222988 259320946 /nfs/dbraw/zinc/32/09/46/259320946.db2.gz XMPBQHFJIOGBLF-AWEZNQCLSA-N 1 0 228.295 2.447 40 0 BEABRO Cc1[nH+]c(N2CCCCCC2)ccc1CCO ZINC000072224586 259321937 /nfs/dbraw/zinc/32/19/37/259321937.db2.gz MFQULRRAAJOCKJ-UHFFFAOYSA-N 1 0 234.343 2.305 40 0 BEABRO Cc1nc(NCc2ccccc2)ccc1C[NH3+] ZINC000072224406 259322089 /nfs/dbraw/zinc/32/20/89/259322089.db2.gz MQHRZZWMVLRESC-UHFFFAOYSA-N 1 0 227.311 2.461 40 0 BEABRO CCCN1c2ccccc2CC[C@H]1C[NH3+] ZINC000060394256 398296214 /nfs/dbraw/zinc/29/62/14/398296214.db2.gz UCLZWKXAZZUQPM-LBPRGKRZSA-N 1 0 204.317 2.177 40 0 BEABRO Cc1ccc(C(C)C)c(OCC(N)=[NH2+])c1 ZINC000019505332 178451585 /nfs/dbraw/zinc/45/15/85/178451585.db2.gz LFWSQYWIGCVXJA-UHFFFAOYSA-N 1 0 206.289 2.433 40 0 BEABRO Cc1ccnc(C)c1[C@@H](C)O[C@@H]1CC[NH2+]C1 ZINC000242495973 259326002 /nfs/dbraw/zinc/32/60/02/259326002.db2.gz GWAWNDBDTSHGCH-VXGBXAGGSA-N 1 0 220.316 2.138 40 0 BEABRO C[C@H]([NH2+]C(C)(C)C)C(=O)c1ccc2c(c1)OCO2 ZINC000219444372 342870348 /nfs/dbraw/zinc/87/03/48/342870348.db2.gz BFOZYEAQPUMNIY-VIFPVBQESA-N 1 0 249.310 2.375 40 0 in-vitro BEABRO C[C@H]1[NH2+]CCc2cc3c(cc21)OCCCO3 ZINC000017043816 342919799 /nfs/dbraw/zinc/91/97/99/342919799.db2.gz QUYZCGGLMLPAJR-SECBINFHSA-N 1 0 219.284 2.055 40 0 BEABRO Cn1c(CCC[NH3+])nc2cccc(Cl)c21 ZINC000037443582 342931389 /nfs/dbraw/zinc/93/13/89/342931389.db2.gz UUAOUHOPSPNLDU-UHFFFAOYSA-N 1 0 223.707 2.118 40 0 BEABRO CC(C)CCn1cc([C@@H]([NH3+])C2CC2)cn1 ZINC000095093958 346896078 /nfs/dbraw/zinc/89/60/78/346896078.db2.gz AHQVJPVUWDWGQH-LBPRGKRZSA-N 1 0 207.321 2.339 40 0 BEABRO c1cc(C2CC[NH2+]CC2)ncc1-c1cncnc1 ZINC000019695387 342954127 /nfs/dbraw/zinc/95/41/27/342954127.db2.gz RYPIJYRGBZOSSK-UHFFFAOYSA-N 1 0 240.310 2.006 40 0 BEABRO [NH3+]C1(c2cccnc2C(F)(F)F)CC1 ZINC000095094338 346899324 /nfs/dbraw/zinc/89/93/24/346899324.db2.gz WCCYTSXSTIPXRU-UHFFFAOYSA-N 1 0 202.179 2.048 40 0 BEABRO Fc1cc(Cl)ccc1OC[C@@H]1CC[NH2+]C1 ZINC000038580871 343102717 /nfs/dbraw/zinc/10/27/17/343102717.db2.gz PNARBUOTBAYXJQ-MRVPVSSYSA-N 1 0 229.682 2.467 40 0 BEABRO Fc1cc(Cl)ccc1OC[C@H]1CC[NH2+]C1 ZINC000038580872 343102855 /nfs/dbraw/zinc/10/28/55/343102855.db2.gz PNARBUOTBAYXJQ-QMMMGPOBSA-N 1 0 229.682 2.467 40 0 BEABRO CCCC[C@@H](O)C[NH2+]Cc1ccccc1 ZINC000026897779 343110507 /nfs/dbraw/zinc/11/05/07/343110507.db2.gz HQBWWSLWQZDYQM-CYBMUJFWSA-N 1 0 207.317 2.327 40 0 BEABRO Cc1[nH+]c2c(n1C[C@@H]1CCOC1)CCCC2 ZINC000160730234 343203504 /nfs/dbraw/zinc/20/35/04/343203504.db2.gz JQLXKAYIMDAUCZ-NSHDSACASA-N 1 0 220.316 2.107 40 0 BEABRO CC(C)CC(=O)N1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000033426505 343254053 /nfs/dbraw/zinc/25/40/53/343254053.db2.gz HBZBZOHXYWOWFN-CQSZACIVSA-N 1 0 238.375 2.025 40 0 BEABRO COC(=O)[C@@H](C)C[NH2+]C1CCCCCC1 ZINC000035133591 343286358 /nfs/dbraw/zinc/28/63/58/343286358.db2.gz BOGWZQMKEBIJOE-JTQLQIEISA-N 1 0 213.321 2.108 40 0 BEABRO CC(C)(C)OC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000034781618 343278508 /nfs/dbraw/zinc/27/85/08/343278508.db2.gz VNULYAAMWXJKNO-NSHDSACASA-N 1 0 242.363 2.419 40 0 BEABRO COC(=O)C[C@@H](C)[NH2+]Cc1ccccc1Cl ZINC000035748000 343303594 /nfs/dbraw/zinc/30/35/94/343303594.db2.gz XHOUUANGUVMOFH-SECBINFHSA-N 1 0 241.718 2.381 40 0 BEABRO C[C@H](c1cccc(Cl)c1)N(C)C(=O)[C@H](C)[NH3+] ZINC000038101386 343316587 /nfs/dbraw/zinc/31/65/87/343316587.db2.gz WDXGFCJXRXEWOQ-DTWKUNHWSA-N 1 0 240.734 2.207 40 0 BEABRO Clc1ccc([C@@H]2C[NH2+]CCN2)cc1Cl ZINC000038531981 343376389 /nfs/dbraw/zinc/37/63/89/343376389.db2.gz PUJZPGUYDJGSAC-JTQLQIEISA-N 1 0 231.126 2.227 40 0 BEABRO COc1cc(C(F)(F)F)c(OC)cc1CC[NH3+] ZINC000013739909 343643879 /nfs/dbraw/zinc/64/38/79/343643879.db2.gz LYXGNMLWYONZID-UHFFFAOYSA-N 1 0 249.232 2.224 40 0 in-vitro BEABRO CC[NH2+][C@@H](C(=O)c1ccc2c(c1)OCO2)C(C)C ZINC000071564210 343710506 /nfs/dbraw/zinc/71/05/06/343710506.db2.gz HJTNZFICUBPNAQ-CYBMUJFWSA-N 1 0 249.310 2.232 40 0 in-vitro BEABRO CC[C@H](C)[N@@H+]1CCC[C@@]2(CN(C(C)C)C2=O)C1 ZINC000585099690 344131910 /nfs/dbraw/zinc/13/19/10/344131910.db2.gz YIKDKAUOMQAHCL-JSGCOSHPSA-N 1 0 238.375 2.118 40 0 BEABRO CC(C)C[N@@H+]1CCC[C@@]2(CCC(=O)N2C)CC1 ZINC000585100663 344132071 /nfs/dbraw/zinc/13/20/71/344132071.db2.gz SDFNHKYUGAMJMQ-CQSZACIVSA-N 1 0 238.375 2.119 40 0 BEABRO CCOC(=O)[C@H]1CC[NH2+][C@@H]1c1cccc(F)c1 ZINC000257197785 344239904 /nfs/dbraw/zinc/23/99/04/344239904.db2.gz JEAZYSLWBMPPRO-NWDGAFQWSA-N 1 0 237.274 2.039 40 0 BEABRO CC(C)(C)C[N@@H+]1CC[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019695461 347031681 /nfs/dbraw/zinc/03/16/81/347031681.db2.gz YUNFZHDBWNQAEN-NWDGAFQWSA-N 1 0 238.375 2.166 40 0 BEABRO CC[N@@H+]1CCCC[C@H]1c1c[nH]c(=O)c(C)c1 ZINC000072217974 344514011 /nfs/dbraw/zinc/51/40/11/344514011.db2.gz VXJSSAGJNZMHDN-LBPRGKRZSA-N 1 0 220.316 2.230 40 0 BEABRO [NH3+]Cc1cnn([C@H]2C[C@@H]2c2ccc(F)cc2)c1 ZINC000514264586 344907962 /nfs/dbraw/zinc/90/79/62/344907962.db2.gz KOZJAARUXDZAIJ-OLZOCXBDSA-N 1 0 231.274 2.210 40 0 BEABRO Cc1ccc2c(c1)OCC21CC[NH2+]CC1 ZINC000098213588 178948769 /nfs/dbraw/zinc/94/87/69/178948769.db2.gz HREPCNOCAJCHPL-UHFFFAOYSA-N 1 0 203.285 2.009 40 0 BEABRO Cc1cccc(CN2CCCC[C@@]23CC[NH2+]C3)n1 ZINC000096071164 179073438 /nfs/dbraw/zinc/07/34/38/179073438.db2.gz AOCNDIUVWFKFLE-HNNXBMFYSA-N 1 0 245.370 2.108 40 0 BEABRO Cc1cccc(CN2CCC[C@@H]([NH3+])C2)c1C ZINC000038539502 179074199 /nfs/dbraw/zinc/07/41/99/179074199.db2.gz SRWAGDJGSVRRNX-CQSZACIVSA-N 1 0 218.344 2.227 40 0 BEABRO C[NH+](C)CCC(=O)c1ccc(F)c(F)c1 ZINC000004645123 346605907 /nfs/dbraw/zinc/60/59/07/346605907.db2.gz FBSUBOFOVZBQRL-UHFFFAOYSA-N 1 0 213.227 2.099 40 0 BEABRO [NH3+]C1(c2ccc(CO)cc2)CCCCC1 ZINC000149661207 347412923 /nfs/dbraw/zinc/41/29/23/347412923.db2.gz NFEMUXOJPDLQOY-UHFFFAOYSA-N 1 0 205.301 2.297 40 0 BEABRO Cc1cccc2c1c([C@@H]1C[C@H]1[NH3+])cn2C ZINC000096509622 179225226 /nfs/dbraw/zinc/22/52/26/179225226.db2.gz SBJWMBMJRQIITF-GXSJLCMTSA-N 1 0 200.285 2.301 40 0 BEABRO Cc1cccc2c1c([C@@H]1C[C@@H]1[NH3+])cn2C ZINC000096509620 179225551 /nfs/dbraw/zinc/22/55/51/179225551.db2.gz SBJWMBMJRQIITF-ONGXEEELSA-N 1 0 200.285 2.301 40 0 BEABRO Cc1cccc2c1c([C@H]1C[C@H]1[NH3+])cn2C ZINC000096509623 179225561 /nfs/dbraw/zinc/22/55/61/179225561.db2.gz SBJWMBMJRQIITF-MWLCHTKSSA-N 1 0 200.285 2.301 40 0 BEABRO Cc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000082320751 179301823 /nfs/dbraw/zinc/30/18/23/179301823.db2.gz LXAXRHOIOFKQQS-GFCCVEGCSA-N 1 0 232.327 2.275 40 0 BEABRO COc1cccc([C@@H]2C[C@@H]2[C@H](C)[NH3+])c1OC ZINC000108019146 347881363 /nfs/dbraw/zinc/88/13/63/347881363.db2.gz NRMIRCUHNDPXEF-GDPRMGEGSA-N 1 0 221.300 2.155 40 0 BEABRO COc1ccc(OC)c([C@H]2C[C@@H]2[C@H](C)[NH3+])c1 ZINC000036922585 347964544 /nfs/dbraw/zinc/96/45/44/347964544.db2.gz DPZMVJPIWKFHMT-GDPRMGEGSA-N 1 0 221.300 2.155 40 0 BEABRO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)OCc1ccccc1 ZINC000253180588 348346964 /nfs/dbraw/zinc/34/69/64/348346964.db2.gz DMJFZMFHYUPLJF-VXGBXAGGSA-N 1 0 233.311 2.103 40 0 BEABRO C[C@@H]([NH3+])[C@@H]1C[C@@H]1c1ccc2c(c1)CCO2 ZINC000037362453 348356992 /nfs/dbraw/zinc/35/69/92/348356992.db2.gz ATVUCOFCESBIAI-JFUSQASVSA-N 1 0 203.285 2.072 40 0 BEABRO C[C@H]([NH3+])c1nc2cc(Cl)ccc2n1C ZINC000037440191 348584915 /nfs/dbraw/zinc/58/49/15/348584915.db2.gz SSSJJDCWEDVSTP-LURJTMIESA-N 1 0 209.680 2.246 40 0 BEABRO C[NH+]1CCC(Cc2nccnc2Cl)CC1 ZINC000205673597 348571345 /nfs/dbraw/zinc/57/13/45/348571345.db2.gz DCUWLWORYRZOFX-UHFFFAOYSA-N 1 0 225.723 2.014 40 0 BEABRO Cc1ccc(CN2CCC[C@@H]([NH3+])C2)cc1C ZINC000038539647 348703395 /nfs/dbraw/zinc/70/33/95/348703395.db2.gz IJYPOXAGCQQMGK-CQSZACIVSA-N 1 0 218.344 2.227 40 0 BEABRO CSc1ncc(C[NH2+]CCC(C)C)cn1 ZINC000062717255 259406943 /nfs/dbraw/zinc/40/69/43/259406943.db2.gz CZAFLNRIZQIHES-UHFFFAOYSA-N 1 0 225.361 2.334 40 0 BEABRO COC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000022123351 350084354 /nfs/dbraw/zinc/08/43/54/350084354.db2.gz XGODMWPEWRNOJL-UTUOFQBUSA-N 1 0 227.348 2.162 40 0 BEABRO Cc1nccn1CCC[NH2+]C[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000085303036 180244636 /nfs/dbraw/zinc/24/46/36/180244636.db2.gz BKLYYGDFUQLEKM-ILXRZTDVSA-N 1 0 245.370 2.383 40 0 BEABRO Cc1nccn1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000072356937 180266961 /nfs/dbraw/zinc/26/69/61/180266961.db2.gz NTJDMPPNAHKLDL-CYBMUJFWSA-N 1 0 221.348 2.312 40 0 BEABRO CCCC[C@@H](CC)CNC(=O)C[NH2+]C1CC1 ZINC000040420335 323408789 /nfs/dbraw/zinc/40/87/89/323408789.db2.gz AEHONAGTEZYVND-LLVKDONJSA-N 1 0 226.364 2.071 40 0 BEABRO Cn1c(N)[nH+]cc1-c1cccc(Cl)c1 ZINC000000873774 350777821 /nfs/dbraw/zinc/77/78/21/350777821.db2.gz ZCDSSCVXZVNIOX-UHFFFAOYSA-N 1 0 207.664 2.323 40 0 BEABRO C[C@H]1[NH+]=C(N2CCCC2)Nc2ccccc21 ZINC000005722421 191122619 /nfs/dbraw/zinc/12/26/19/191122619.db2.gz OVUCRTJZBVDRRC-SNVBAGLBSA-N 1 0 215.300 2.434 40 0 BEABRO C[NH2+]C[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000256050830 351033544 /nfs/dbraw/zinc/03/35/44/351033544.db2.gz GQOXRGPBNSWUJQ-WDEREUQCSA-N 1 0 242.363 2.241 40 0 BEABRO Clc1ncc(CO[C@H]2CCC[NH2+]C2)s1 ZINC000043220444 180601525 /nfs/dbraw/zinc/60/15/25/180601525.db2.gz KXZQJGGCKQYZDO-ZETCQYMHSA-N 1 0 232.736 2.065 40 0 BEABRO CCN(CC)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000038808973 363150197 /nfs/dbraw/zinc/15/01/97/363150197.db2.gz APQKMJFBSXTSDZ-LBPRGKRZSA-N 1 0 210.296 2.167 40 0 BEABRO Cc1ccc([C@@H]2CC[N@@H+](C)C[C@@H]2CO)cc1 ZINC000224699659 363193906 /nfs/dbraw/zinc/19/39/06/363193906.db2.gz PNSQELDDLYCOEM-KGLIPLIRSA-N 1 0 219.328 2.023 40 0 BEABRO CC(C)([NH3+])c1cccc(OC(F)F)c1 ZINC000089262719 187799310 /nfs/dbraw/zinc/79/93/10/187799310.db2.gz HJZAQAHGCFEZHJ-UHFFFAOYSA-N 1 0 201.216 2.482 40 0 BEABRO CC(C)(C)[C@@H]1CN2C[C@@H](C(C)(C)C)[NH+]=C2N1 ZINC000248263395 188086428 /nfs/dbraw/zinc/08/64/28/188086428.db2.gz NHPAGFYCHIPMCC-UWVGGRQHSA-N 1 0 223.364 2.091 40 0 BEABRO CC(=O)[C@@](C)(CC[NH+](C)C)c1ccccc1 ZINC000005883655 188102735 /nfs/dbraw/zinc/10/27/35/188102735.db2.gz MSAVGSNUZXCEJN-CQSZACIVSA-N 1 0 219.328 2.485 40 0 BEABRO CC(C)N(C(=O)OC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000079437646 188118669 /nfs/dbraw/zinc/11/86/69/188118669.db2.gz DRJBVMBAQADEBT-LLVKDONJSA-N 1 0 242.363 2.384 40 0 BEABRO Cc1nccn1-c1cccc([C@H]2CCC[NH2+]2)n1 ZINC000072355930 188131660 /nfs/dbraw/zinc/13/16/60/188131660.db2.gz KNUWXIWCRCDCSN-LLVKDONJSA-N 1 0 228.299 2.000 40 0 BEABRO C(OC1CC2(C[NH2+]C2)C1)C1CCCCC1 ZINC000096509118 188147709 /nfs/dbraw/zinc/14/77/09/188147709.db2.gz YIYTUJYITMNAQS-UHFFFAOYSA-N 1 0 209.333 2.335 40 0 BEABRO COc1ccc(C[C@@H]2C[N@@H+](C(C)C)CCO2)cc1 ZINC000257227352 188193050 /nfs/dbraw/zinc/19/30/50/188193050.db2.gz FOWXUCQHVIJVFE-OAHLLOKOSA-N 1 0 249.354 2.347 40 0 BEABRO Fc1cccc2c([C@H]3CC[NH2+]C3)c[nH]c21 ZINC000071490326 181004896 /nfs/dbraw/zinc/00/48/96/181004896.db2.gz SUNHDQPYXAYNHT-QMMMGPOBSA-N 1 0 204.248 2.384 40 0 BEABRO Fc1ccccc1-c1nnc(C2CC[NH2+]CC2)o1 ZINC000019780354 181009380 /nfs/dbraw/zinc/00/93/80/181009380.db2.gz CJBSXPKDWMGRDX-UHFFFAOYSA-N 1 0 247.273 2.343 40 0 BEABRO NC(=[NH2+])SCc1cc2c(cc1Cl)OCO2 ZINC000004777616 181193045 /nfs/dbraw/zinc/19/30/45/181193045.db2.gz YLDCOWBPDHFRIF-UHFFFAOYSA-N 1 0 244.703 2.195 40 0 BEABRO COc1cccc2nc(Cl)c(C[NH3+])cc21 ZINC000685936832 538759244 /nfs/dbraw/zinc/75/92/44/538759244.db2.gz ABEZUDPQAIYTAJ-UHFFFAOYSA-N 1 0 222.675 2.356 40 0 BEABRO CC(C)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000067800919 357344695 /nfs/dbraw/zinc/34/46/95/357344695.db2.gz MKWVEGFRVLKKGA-NSHDSACASA-N 1 0 242.363 2.241 40 0 BEABRO CCCC[C@H](CC)C[N@@H+]1CCNC[C@H]1C ZINC000134850856 358809051 /nfs/dbraw/zinc/80/90/51/358809051.db2.gz CTEYDSHQPCHLCV-OLZOCXBDSA-N 1 0 212.381 2.497 40 0 BEABRO [NH3+]C1(Cc2ccc(Cl)cc2)CCOCC1 ZINC000016764320 181332626 /nfs/dbraw/zinc/33/26/26/181332626.db2.gz SANAZCYYPPPGIT-UHFFFAOYSA-N 1 0 225.719 2.390 40 0 BEABRO [NH3+]CC1(Cc2cccc(F)c2)CCOCC1 ZINC000061673941 181360881 /nfs/dbraw/zinc/36/08/81/181360881.db2.gz INWLMUTUNISFKF-UHFFFAOYSA-N 1 0 223.291 2.124 40 0 BEABRO C[C@@H]([NH3+])c1ccc(N2CCCCC2)nc1 ZINC000072225454 259532844 /nfs/dbraw/zinc/53/28/44/259532844.db2.gz AYBWPAXQOALFDK-SNVBAGLBSA-N 1 0 205.305 2.092 40 0 BEABRO [NH3+]CCCNc1ccnc2c(F)cccc12 ZINC000212274728 181383939 /nfs/dbraw/zinc/38/39/39/181383939.db2.gz RLAXDSSKADRGDP-UHFFFAOYSA-N 1 0 219.263 2.135 40 0 BEABRO COC(=O)c1cccc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000095644343 368338211 /nfs/dbraw/zinc/33/82/11/368338211.db2.gz NIOGYEYZJWSVBN-AGUYFDCRSA-N 1 0 245.322 2.471 40 0 BEABRO Cc1c[nH]nc1[C@@]1(C)C[N@@H+](C2CCCC2)CCO1 ZINC000205673899 368356251 /nfs/dbraw/zinc/35/62/51/368356251.db2.gz QKHUTFHOKRHHRE-CQSZACIVSA-N 1 0 249.358 2.208 40 0 BEABRO C[C@]12CCC[NH2+][C@@H]1CCCN2Cc1cccnc1 ZINC000205675686 368357212 /nfs/dbraw/zinc/35/72/12/368357212.db2.gz QQJVIXAXIPNHQK-CABCVRRESA-N 1 0 245.370 2.188 40 0 BEABRO Cc1c[nH]c([C@@H]2CCC[N@@H+]2CC2CC2)n1 ZINC000205687373 368358356 /nfs/dbraw/zinc/35/83/56/368358356.db2.gz KUQRCWCEMITSTN-NSHDSACASA-N 1 0 205.305 2.265 40 0 BEABRO Cc1c[nH]c([C@H]2CCC[N@@H+]2CC2CC2)n1 ZINC000205687391 368358400 /nfs/dbraw/zinc/35/84/00/368358400.db2.gz KUQRCWCEMITSTN-LLVKDONJSA-N 1 0 205.305 2.265 40 0 BEABRO Cc1ncsc1-c1cncc([C@@H]2CCC[NH2+]2)n1 ZINC000205686837 368358746 /nfs/dbraw/zinc/35/87/46/368358746.db2.gz DKOFWCVKSDXXNW-VIFPVBQESA-N 1 0 246.339 2.333 40 0 BEABRO CC1(C)C[C@@H]([NH3+])c2cc3[nH]cnc3cc21 ZINC000057347038 369393026 /nfs/dbraw/zinc/39/30/26/369393026.db2.gz IWWKLSDLLRWYGC-SECBINFHSA-N 1 0 201.273 2.244 40 0 BEABRO COc1cccc([C@@H](C[NH3+])N2CCC[C@H](C)C2)c1 ZINC000108349931 369390714 /nfs/dbraw/zinc/39/07/14/369390714.db2.gz AEZAJJACDUCXGH-SWLSCSKDSA-N 1 0 248.370 2.427 40 0 BEABRO [NH3+][C@H]1CCCc2nc(C(F)(F)F)ccc21 ZINC000238590606 259542704 /nfs/dbraw/zinc/54/27/04/259542704.db2.gz VZPXCLWPQWQQOV-ZETCQYMHSA-N 1 0 216.206 2.437 40 0 BEABRO CC(=O)N1CCCC[C@@H]1CC[C@H]1CCCC[NH2+]1 ZINC000252497315 370062363 /nfs/dbraw/zinc/06/23/63/370062363.db2.gz QDLPLRVGHSLZQZ-ZIAGYGMSSA-N 1 0 238.375 2.310 40 0 BEABRO CC(C)(C)OC(=O)[C@]1([NH3+])CC2CCC1CC2 ZINC000253186035 370158137 /nfs/dbraw/zinc/15/81/37/370158137.db2.gz RDVZRSSJLUROFT-ZPPKWKGLSA-N 1 0 225.332 2.236 40 0 BEABRO [NH3+]C[C@H](CC(=O)c1ccccc1)C(F)(F)F ZINC000256054706 370638189 /nfs/dbraw/zinc/63/81/89/370638189.db2.gz XKZZENNZLVZCPH-VIFPVBQESA-N 1 0 231.217 2.397 40 0 BEABRO [NH3+][C@@H]1CCN(Cc2ccc(Cl)cc2F)C1 ZINC000038538948 181588074 /nfs/dbraw/zinc/58/80/74/181588074.db2.gz QUMWTUKNBBNGLP-SNVBAGLBSA-N 1 0 228.698 2.012 40 0 BEABRO COc1cc(OC)cc([C@H]2C[C@@H]2[C@@H](C)[NH3+])c1 ZINC000020594411 371301629 /nfs/dbraw/zinc/30/16/29/371301629.db2.gz SCBRMCDRXPTYCI-BZHVJNSISA-N 1 0 221.300 2.155 40 0 BEABRO [NH3+][C@H]1CCN(c2cccc(C(F)(F)F)c2)C1 ZINC000037240984 181652253 /nfs/dbraw/zinc/65/22/53/181652253.db2.gz WGNMDIPCMAFVDZ-VIFPVBQESA-N 1 0 230.233 2.243 40 0 BEABRO CN(C)[C@H](C[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000022220653 371526114 /nfs/dbraw/zinc/52/61/14/371526114.db2.gz TVGWGARVOMTGOM-SNVBAGLBSA-N 1 0 248.248 2.147 40 0 BEABRO CCN1C[C@@H]2CC[NH2+][C@H]2c2ccccc21 ZINC000002525386 371569130 /nfs/dbraw/zinc/56/91/30/371569130.db2.gz VLWRWRLWJUVOTM-GXFFZTMASA-N 1 0 202.301 2.177 40 0 BEABRO C[C@@H]1C[C@@H]2[C@@H](C[C@@H](C(F)(F)F)C[C@@H]2[NH3+])O1 ZINC000225763139 371574326 /nfs/dbraw/zinc/57/43/26/371574326.db2.gz DXOFCJWXXLMFIJ-ZTKNNBQKSA-N 1 0 223.238 2.080 40 0 BEABRO CC(C)(C)[NH2+]C[C@@H]1CO[C@H](c2ccccc2)O1 ZINC000003010054 371837808 /nfs/dbraw/zinc/83/78/08/371837808.db2.gz IWFPJSASCSZFCH-OLZOCXBDSA-N 1 0 235.327 2.489 40 0 BEABRO O=C(NC1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000004908000 182119520 /nfs/dbraw/zinc/11/95/20/182119520.db2.gz WYWOKTMOHGMQKP-PBWFPOADSA-N 1 0 244.338 2.090 40 0 BEABRO O=C(N[C@@H]1CCCC[NH2+]C1)OCc1ccccc1 ZINC000095080448 182292089 /nfs/dbraw/zinc/29/20/89/182292089.db2.gz MOANXMDVDCOFBM-CYBMUJFWSA-N 1 0 248.326 2.055 40 0 BEABRO OC1(c2ccc3ccccc3c2)CC[NH2+]CC1 ZINC000055193338 183022934 /nfs/dbraw/zinc/02/29/34/183022934.db2.gz FYBSDMFIETWQGG-UHFFFAOYSA-N 1 0 227.307 2.411 40 0 BEABRO OCC[N@H+](Cc1nccc2ccccc21)C1CC1 ZINC000079422047 183073003 /nfs/dbraw/zinc/07/30/03/183073003.db2.gz CIUWSGOUHARPMA-UHFFFAOYSA-N 1 0 242.322 2.192 40 0 BEABRO OC[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000041242362 183114094 /nfs/dbraw/zinc/11/40/94/183114094.db2.gz SJIFHOMGFFVFOI-ZDUSSCGKSA-N 1 0 223.291 2.345 40 0 BEABRO CCCCc1ccc(NC(=O)C[NH2+]C)cc1 ZINC000037247434 169020478 /nfs/dbraw/zinc/02/04/78/169020478.db2.gz DIMNXXNZEMNARV-UHFFFAOYSA-N 1 0 220.316 2.187 40 0 BEABRO CCCCc1ccc(NC(=O)CC[NH3+])cc1 ZINC000008732967 169020917 /nfs/dbraw/zinc/02/09/17/169020917.db2.gz GCFDZECNVFZPLV-UHFFFAOYSA-N 1 0 220.316 2.317 40 0 BEABRO O[C@@H](c1ccc2cccnc2c1)[C@@H]1CCCC[NH2+]1 ZINC000001729519 183185726 /nfs/dbraw/zinc/18/57/26/183185726.db2.gz MNCWVFJXBARQLI-ZFWWWQNUSA-N 1 0 242.322 2.410 40 0 BEABRO O[C@@H]1C2(C[NH2+][C@]13C=CCCC3)CCCCC2 ZINC000001722975 183186465 /nfs/dbraw/zinc/18/64/65/183186465.db2.gz IOXFYROGVKPFKG-OCCSQVGLSA-N 1 0 221.344 2.380 40 0 BEABRO O[C@H]1C2(C[NH2+][C@]13C=CCCC3)CCCCC2 ZINC000001722974 183230858 /nfs/dbraw/zinc/23/08/58/183230858.db2.gz IOXFYROGVKPFKG-JSGCOSHPSA-N 1 0 221.344 2.380 40 0 BEABRO O[C@H]1[C@@H]2CCC[C@H]1CC[C@@H]2[NH+]1CCCCC1 ZINC000004025781 183213465 /nfs/dbraw/zinc/21/34/65/183213465.db2.gz JFIGMNBDLSGWHQ-RFQIPJPRSA-N 1 0 223.360 2.412 40 0 BEABRO O[C@]1(c2ccc(F)cc2)CCC[C@H]2C[NH2+]C[C@@H]21 ZINC000013997966 183252038 /nfs/dbraw/zinc/25/20/38/183252038.db2.gz KADNKMBDWLQVRJ-BPNCWPANSA-N 1 0 235.302 2.033 40 0 BEABRO CCC[NH+](CCC)C[C@H](N)CCSC ZINC000096523857 169148338 /nfs/dbraw/zinc/14/83/38/169148338.db2.gz TYTUMLNFFLQEHS-LLVKDONJSA-N 1 0 218.410 2.189 40 0 BEABRO c1cc(C[C@@H]2CCC[NH2+]C2)nc(N2CCCC2)c1 ZINC000072386382 183354887 /nfs/dbraw/zinc/35/48/87/183354887.db2.gz NWUAIPNBUQTQEM-ZDUSSCGKSA-N 1 0 245.370 2.224 40 0 BEABRO c1cnc2cccc(C[C@@H]3C[NH2+]CCOC3)c2c1 ZINC000072344399 183355602 /nfs/dbraw/zinc/35/56/02/183355602.db2.gz UABUZYOKZBLAQS-GFCCVEGCSA-N 1 0 242.322 2.013 40 0 BEABRO c1cc(NC2CCOCC2)nc([C@H]2CCC[NH2+]2)c1 ZINC000072386967 183356985 /nfs/dbraw/zinc/35/69/85/183356985.db2.gz FUBDYPWKSNJSKG-GFCCVEGCSA-N 1 0 247.342 2.097 40 0 BEABRO c1cc(C2CC[NH2+]CC2)n(C2CCC2)n1 ZINC000096509758 183336359 /nfs/dbraw/zinc/33/63/59/183336359.db2.gz UURDRZZDOIMIHA-UHFFFAOYSA-N 1 0 205.305 2.075 40 0 BEABRO c1cc([C@H]2CCC[NH2+]C2)n(C2CCC2)n1 ZINC000096509755 183364380 /nfs/dbraw/zinc/36/43/80/183364380.db2.gz SATHZSSEKZVQIS-JTQLQIEISA-N 1 0 205.305 2.075 40 0 BEABRO c1ccc(-c2nnc([C@H]3CCC[NH2+]3)o2)cc1 ZINC000032013049 183384470 /nfs/dbraw/zinc/38/44/70/183384470.db2.gz QLUMYXKABPBJQN-SNVBAGLBSA-N 1 0 215.256 2.161 40 0 BEABRO c1ccc(CCN2CC[NH2+][C@H]3CCCC[C@H]32)cc1 ZINC000218829150 183393545 /nfs/dbraw/zinc/39/35/45/183393545.db2.gz WBKROPMTWHKBDJ-JKSUJKDBSA-N 1 0 244.382 2.446 40 0 BEABRO c1ccc(CCN2CC[NH2+][C@@H]3CCCC[C@H]32)cc1 ZINC000218829069 183393622 /nfs/dbraw/zinc/39/36/22/183393622.db2.gz WBKROPMTWHKBDJ-HZPDHXFCSA-N 1 0 244.382 2.446 40 0 BEABRO c1ccc2nc(OC[C@H]3CCC[NH2+]C3)cnc2c1 ZINC000044029921 183458976 /nfs/dbraw/zinc/45/89/76/183458976.db2.gz KBKGCMTYPJSOTQ-NSHDSACASA-N 1 0 243.310 2.008 40 0 BEABRO CCCOc1ccccc1C[NH2+]CCOC ZINC000020924544 169326797 /nfs/dbraw/zinc/32/67/97/169326797.db2.gz IEPOJCNTBGDVMT-UHFFFAOYSA-N 1 0 223.316 2.211 40 0 BEABRO c1cnc2ccc(C[C@H]3C[NH2+]CCOC3)cc2c1 ZINC000072344408 183487461 /nfs/dbraw/zinc/48/74/61/183487461.db2.gz OLTLEYYHQWUCTF-ZDUSSCGKSA-N 1 0 242.322 2.013 40 0 BEABRO CCC[C@@H](C(=O)OC)[NH+]1CCC(C)CC1 ZINC000022538673 169346487 /nfs/dbraw/zinc/34/64/87/169346487.db2.gz CMYLLXIHNUZJTE-NSHDSACASA-N 1 0 213.321 2.060 40 0 BEABRO CC(C)(C)OC(=O)NCC12CC(C[NH3+])(C1)CC2 ZINC000306145375 166660764 /nfs/dbraw/zinc/66/07/64/166660764.db2.gz CTMNBECSEJDJCQ-UHFFFAOYSA-N 1 0 240.347 2.030 40 0 BEABRO CSc1ccc(C[N@H+](CCO)C2CC2)cc1 ZINC000048065352 383820064 /nfs/dbraw/zinc/82/00/64/383820064.db2.gz CUTSIZPMPFCGJC-UHFFFAOYSA-N 1 0 237.368 2.365 40 0 BEABRO CCCCOC(OCCCC)[C@H](C)[NH3+] ZINC000001733694 383933569 /nfs/dbraw/zinc/93/35/69/383933569.db2.gz WQIXGBHYNSNMOL-JTQLQIEISA-N 1 0 203.326 2.293 40 0 BEABRO O=C1[C@@H]2CCC[C@H]1CC[C@@H]2[NH+]1CCCC1 ZINC000001162488 383891802 /nfs/dbraw/zinc/89/18/02/383891802.db2.gz NCTHTNCTMQAJDU-TUAOUCFPSA-N 1 0 207.317 2.230 40 0 BEABRO C[N@H+]1CC=C(c2nc3ccccc3[nH]2)CC1 ZINC000073636028 384023336 /nfs/dbraw/zinc/02/33/36/384023336.db2.gz BKSOJXDLGZCJHP-UHFFFAOYSA-N 1 0 213.284 2.282 40 0 BEABRO C[NH2+][C@@H](CO)c1c(Cl)cccc1Cl ZINC000038121199 384073244 /nfs/dbraw/zinc/07/32/44/384073244.db2.gz YPXNWLRSDRZHBJ-QMMMGPOBSA-N 1 0 220.099 2.246 40 0 BEABRO CC(C)N(C[C@H]1CC[NH2+]C1)C(=O)OC(C)(C)C ZINC000079437644 384146764 /nfs/dbraw/zinc/14/67/64/384146764.db2.gz GFOHWUANGLHYFD-NSHDSACASA-N 1 0 242.363 2.241 40 0 BEABRO CCC[C@H]([NH3+])CN(CC)Cc1ccncc1 ZINC000042516913 384153856 /nfs/dbraw/zinc/15/38/56/384153856.db2.gz GDQFDTOBHQYZQZ-ZDUSSCGKSA-N 1 0 221.348 2.031 40 0 BEABRO [NH3+][C@H]1CCC[C@@H](NC(=O)OCc2ccccc2)C1 ZINC000091675895 384138266 /nfs/dbraw/zinc/13/82/66/384138266.db2.gz NFWZARAFTINKJK-QWHCGFSZSA-N 1 0 248.326 2.183 40 0 BEABRO Fc1cc(Cl)ccc1CNC1CC[NH2+]CC1 ZINC000067802645 384165997 /nfs/dbraw/zinc/16/59/97/384165997.db2.gz JZLICFBHWDKOPH-UHFFFAOYSA-N 1 0 242.725 2.321 40 0 BEABRO FC(F)(F)c1cccc(C[NH2+]C2COC2)c1 ZINC000071792164 384179795 /nfs/dbraw/zinc/17/97/95/384179795.db2.gz HTWHDWQYMWLUND-UHFFFAOYSA-N 1 0 231.217 2.194 40 0 BEABRO Cc1nc2ccccc2n1C[C@H]1CCCC[NH2+]1 ZINC000043494156 384188633 /nfs/dbraw/zinc/18/86/33/384188633.db2.gz XXIKFPWBJCKTQX-GFCCVEGCSA-N 1 0 229.327 2.487 40 0 BEABRO [NH3+]Cc1cn(Cc2cccc(Cl)c2)cn1 ZINC000071524057 384231783 /nfs/dbraw/zinc/23/17/83/384231783.db2.gz KGKUELRIYFRRQD-UHFFFAOYSA-N 1 0 221.691 2.044 40 0 BEABRO CCC[C@H](C(=O)OC)[N@@H+]1CCC[C@H](C)C1 ZINC000036128005 384238300 /nfs/dbraw/zinc/23/83/00/384238300.db2.gz KXYNBVINDFDWQW-WDEREUQCSA-N 1 0 213.321 2.060 40 0 BEABRO Cn1cnnc1[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000072356840 384210336 /nfs/dbraw/zinc/21/03/36/384210336.db2.gz MEQDLBPKFJVKHZ-LBPRGKRZSA-N 1 0 248.374 2.327 40 0 BEABRO CC(C)[NH+]1CCC(c2cncn2C)CC1 ZINC000072356947 384210634 /nfs/dbraw/zinc/21/06/34/384210634.db2.gz MHOYXKIMVZUUOM-UHFFFAOYSA-N 1 0 207.321 2.008 40 0 BEABRO CC(=O)N1CC[N@@H+](C(C)C)[C@H](c2ccccc2)C1 ZINC000072366560 384213725 /nfs/dbraw/zinc/21/37/25/384213725.db2.gz GRWKRYOMXMVRKK-HNNXBMFYSA-N 1 0 246.354 2.300 40 0 BEABRO CC(=O)c1c(C)[nH+]c2cc(F)ccc2c1N ZINC000008731903 384215985 /nfs/dbraw/zinc/21/59/85/384215985.db2.gz GWTKCQHLFYQDDU-UHFFFAOYSA-N 1 0 218.231 2.467 40 0 BEABRO Cc1nc(C2C[NH+](C3CCCCC3)C2)cc(=O)[nH]1 ZINC000072381189 384217554 /nfs/dbraw/zinc/21/75/54/384217554.db2.gz LVPUVLCTQYYBEZ-UHFFFAOYSA-N 1 0 247.342 2.223 40 0 BEABRO Cc1cc(-c2cnoc2[C@@H]2CCC[NH2+]C2)on1 ZINC000072397697 384221307 /nfs/dbraw/zinc/22/13/07/384221307.db2.gz BGCOVJVUXOFBFM-SECBINFHSA-N 1 0 233.271 2.105 40 0 BEABRO Cc1cc(-c2cnoc2[C@H]2CCC[NH2+]C2)on1 ZINC000072397698 384221400 /nfs/dbraw/zinc/22/14/00/384221400.db2.gz BGCOVJVUXOFBFM-VIFPVBQESA-N 1 0 233.271 2.105 40 0 BEABRO Cc1ccc(C[NH+]2C[C@H]3COC[C@@H]3C2)cc1 ZINC000096054902 384428790 /nfs/dbraw/zinc/42/87/90/384428790.db2.gz CNGRAOAKMAGIBK-KBPBESRZSA-N 1 0 217.312 2.073 40 0 BEABRO C[C@H]1CCCN(c2cc(C3CC3)[nH+]c(N)n2)C1 ZINC000078404613 384442237 /nfs/dbraw/zinc/44/22/37/384442237.db2.gz LEUPOUHAXVHUFO-VIFPVBQESA-N 1 0 232.331 2.173 40 0 BEABRO Cc1cc(C(F)(F)F)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000019686166 384530682 /nfs/dbraw/zinc/53/06/82/384530682.db2.gz VTNABKZXZNNMOK-MRVPVSSYSA-N 1 0 245.248 2.271 40 0 BEABRO CCCC[NH2+]Cc1ccc(OC)c(O)c1 ZINC000019906921 384556513 /nfs/dbraw/zinc/55/65/13/384556513.db2.gz SICRURPCXBMZLR-UHFFFAOYSA-N 1 0 209.289 2.291 40 0 BEABRO CC1(C)C(c2ccccc2)[N+](=O)C(C)(C)N1O ZINC000000120643 384579439 /nfs/dbraw/zinc/57/94/39/384579439.db2.gz MLSJXLQAJPYPSI-UHFFFAOYSA-N 1 0 234.299 2.206 40 0 BEABRO CCc1ccc2nc(NCC[NH3+])c(C)cc2c1 ZINC000013998020 384625987 /nfs/dbraw/zinc/62/59/87/384625987.db2.gz OWAIVHWPFZIHHV-UHFFFAOYSA-N 1 0 229.327 2.476 40 0 BEABRO CCN(CCC[C@@H](C)[NH3+])C(=O)OC(C)(C)C ZINC000022052751 384727091 /nfs/dbraw/zinc/72/70/91/384727091.db2.gz YGODUYFENNHTJC-SNVBAGLBSA-N 1 0 230.352 2.371 40 0 in-vitro BEABRO CC(C)(C)OC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000103539730 384778412 /nfs/dbraw/zinc/77/84/12/384778412.db2.gz KAVQNCGGFFBHEO-JGPRNRPPSA-N 1 0 240.347 2.042 40 0 BEABRO [NH3+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000084191779 384844987 /nfs/dbraw/zinc/84/49/87/384844987.db2.gz UTZPXWHGEBKSKC-SECBINFHSA-N 1 0 227.105 2.254 40 0 BEABRO CCO[C@@H](C[NH2+]C)c1c(F)cccc1F ZINC000062711593 384845468 /nfs/dbraw/zinc/84/54/68/384845468.db2.gz JBBIAFKKCXPUAK-JTQLQIEISA-N 1 0 215.243 2.262 40 0 BEABRO [NH3+][C@H](c1cncc(Br)c1)C1CC1 ZINC000084191781 384847298 /nfs/dbraw/zinc/84/72/98/384847298.db2.gz UTZPXWHGEBKSKC-VIFPVBQESA-N 1 0 227.105 2.254 40 0 BEABRO Cc1c(F)cccc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000038539528 384866707 /nfs/dbraw/zinc/86/67/07/384866707.db2.gz AWVQVVMEUNBPQU-GFCCVEGCSA-N 1 0 223.291 2.091 40 0 BEABRO [NH3+]Cc1coc(-c2cccc(Cl)c2)n1 ZINC000057495611 384951532 /nfs/dbraw/zinc/95/15/32/384951532.db2.gz XLOUUJZPYUNLCB-UHFFFAOYSA-N 1 0 208.648 2.454 40 0 BEABRO CC(C)n1cc(-c2nc(C[NH3+])cs2)cn1 ZINC000095093930 384905701 /nfs/dbraw/zinc/90/57/01/384905701.db2.gz DCUFWJKJKSDORR-UHFFFAOYSA-N 1 0 222.317 2.046 40 0 BEABRO Cc1cccc(NC(=O)[C@H]2CCCCC[NH2+]2)c1 ZINC000083896442 384921739 /nfs/dbraw/zinc/92/17/39/384921739.db2.gz VNAAVDLEBQNDPT-CYBMUJFWSA-N 1 0 232.327 2.466 40 0 BEABRO CCOc1ccc(CNCCC[NH+](C)C)cc1 ZINC000057362365 384943248 /nfs/dbraw/zinc/94/32/48/384943248.db2.gz SLPVNMDJHFRRFN-UHFFFAOYSA-N 1 0 236.359 2.127 40 0 BEABRO CC(C)N(C(=O)OC(C)(C)C)C1CC[NH2+]CC1 ZINC000058040468 384978627 /nfs/dbraw/zinc/97/86/27/384978627.db2.gz XZAWSXHPLCYGEF-UHFFFAOYSA-N 1 0 242.363 2.384 40 0 BEABRO CCOc1c(C)cccc1C[NH2+]CCOC ZINC000095094838 384962710 /nfs/dbraw/zinc/96/27/10/384962710.db2.gz CITHRZSKYCSGLC-UHFFFAOYSA-N 1 0 223.316 2.130 40 0 BEABRO CC(C)[C@H]([NH3+])c1nnc(-c2cccc(F)c2)[nH]1 ZINC000095534788 385047609 /nfs/dbraw/zinc/04/76/09/385047609.db2.gz XUFLMQFHJHQEFO-JTQLQIEISA-N 1 0 234.278 2.267 40 0 BEABRO C[C@](CN)(c1ccccc1)[NH+]1CCCCC1 ZINC000059842764 385059014 /nfs/dbraw/zinc/05/90/14/385059014.db2.gz WJTVYSCXELPPQR-AWEZNQCLSA-N 1 0 218.344 2.346 40 0 BEABRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072208703 385060598 /nfs/dbraw/zinc/06/05/98/385060598.db2.gz UHURVYQOXPFTNJ-VHSXEESVSA-N 1 0 228.336 2.123 40 0 BEABRO CNC(=O)C[C@@H](c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000072208329 385061292 /nfs/dbraw/zinc/06/12/92/385061292.db2.gz GINGSGJMUDUGCH-UONOGXRCSA-N 1 0 246.354 2.048 40 0 BEABRO CC[C@H]([NH3+])[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072208643 385062098 /nfs/dbraw/zinc/06/20/98/385062098.db2.gz VXVKOWIGVDIUNF-VHSXEESVSA-N 1 0 228.336 2.123 40 0 BEABRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]([NH3+])C(C)(C)C ZINC000072208913 385063759 /nfs/dbraw/zinc/06/37/59/385063759.db2.gz VUWSUDMNWJUZAL-RKDXNWHRSA-N 1 0 230.352 2.273 40 0 BEABRO CN(C)c1ncccc1[C@@H]1CCCC[N@@H+]1C ZINC000072212671 385078365 /nfs/dbraw/zinc/07/83/65/385078365.db2.gz QZVOSAPZSKKLHT-LBPRGKRZSA-N 1 0 219.332 2.304 40 0 BEABRO CCN(C)c1ccc([C@@H]2CCCC[NH2+]2)cn1 ZINC000072212728 385080855 /nfs/dbraw/zinc/08/08/55/385080855.db2.gz YXFXDYFZUCSPKL-LBPRGKRZSA-N 1 0 219.332 2.352 40 0 BEABRO CCSc1ncc(C[NH2+][C@@H](C)CC)cn1 ZINC000062717303 385034017 /nfs/dbraw/zinc/03/40/17/385034017.db2.gz GFNOPXYSDSSSFX-VIFPVBQESA-N 1 0 225.361 2.477 40 0 BEABRO CC(=O)N1CCC[C@H]1c1cc(N(C)C)cc(C)[nH+]1 ZINC000072187632 385043150 /nfs/dbraw/zinc/04/31/50/385043150.db2.gz HZHVRRKLXOZQHE-AWEZNQCLSA-N 1 0 247.342 2.139 40 0 BEABRO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccccn2)cn1 ZINC000072187781 385045790 /nfs/dbraw/zinc/04/57/90/385045790.db2.gz MWSODTMRJLYVLQ-CQSZACIVSA-N 1 0 242.326 2.152 40 0 BEABRO Cc1cc(C[NH3+])cnc1N(C)Cc1ccccc1 ZINC000072222352 385109184 /nfs/dbraw/zinc/10/91/84/385109184.db2.gz CVSQFNMELFASBL-UHFFFAOYSA-N 1 0 241.338 2.485 40 0 BEABRO Cc1cc([C@@H](C)[NH3+])cnc1N1CCCC1 ZINC000072222440 385109646 /nfs/dbraw/zinc/10/96/46/385109646.db2.gz DHQMVGZNGUWMIG-SNVBAGLBSA-N 1 0 205.305 2.010 40 0 BEABRO Cc1cc(N2CCCCC2)ncc1[C@H](C)[NH3+] ZINC000072223504 385112438 /nfs/dbraw/zinc/11/24/38/385112438.db2.gz VMYKZNSLHJFKDM-NSHDSACASA-N 1 0 219.332 2.400 40 0 BEABRO C=Cc1cnc(N2CC[NH+](CC)CC2)c(C)c1 ZINC000072222597 385113894 /nfs/dbraw/zinc/11/38/94/385113894.db2.gz UTFRDVWVQFOFOT-UHFFFAOYSA-N 1 0 231.343 2.175 40 0 BEABRO CC[C@@H]([NH3+])c1cnc(NC2CC2)cc1C ZINC000072223819 385115497 /nfs/dbraw/zinc/11/54/97/385115497.db2.gz XFXJRTAPNTUOPL-LLVKDONJSA-N 1 0 205.305 2.374 40 0 BEABRO Cc1nc(N)ccc1[C@H]([NH3+])c1ccccc1 ZINC000072224132 385116573 /nfs/dbraw/zinc/11/65/73/385116573.db2.gz QMSJRVYJNRXZSU-CYBMUJFWSA-N 1 0 213.284 2.020 40 0 BEABRO C[C@H]([NH3+])c1ccc(N2CCCCCC2)nc1 ZINC000072225474 385121964 /nfs/dbraw/zinc/12/19/64/385121964.db2.gz LYGULMRXVXTWAJ-NSHDSACASA-N 1 0 219.332 2.482 40 0 BEABRO C[C@H]([NH3+])c1ccc(N2CCCCC2)nc1 ZINC000072225453 385123178 /nfs/dbraw/zinc/12/31/78/385123178.db2.gz AYBWPAXQOALFDK-JTQLQIEISA-N 1 0 205.305 2.092 40 0 BEABRO c1cc(N2CCCC2)ncc1[C@@H]1CCCC[NH2+]1 ZINC000072215934 385093729 /nfs/dbraw/zinc/09/37/29/385093729.db2.gz ORWCCQFFUXXYOC-ZDUSSCGKSA-N 1 0 231.343 2.496 40 0 BEABRO Cc1cc(N(C)C)ncc1C1=[NH+]CCC1 ZINC000072218661 385099539 /nfs/dbraw/zinc/09/95/39/385099539.db2.gz CYUMAJDNVUEMNG-UHFFFAOYSA-N 1 0 203.289 2.039 40 0 BEABRO CC[N@@H+]1CCC[C@H]1c1cnc(N)cc1C ZINC000072218492 385100886 /nfs/dbraw/zinc/10/08/86/385100886.db2.gz PDRQJDZEHQMEDT-NSHDSACASA-N 1 0 205.305 2.129 40 0 BEABRO Cc1cc([C@@H]2CCCC[NH2+]2)cnc1N(C)C ZINC000072218632 385101278 /nfs/dbraw/zinc/10/12/78/385101278.db2.gz MBZGIBGSDXXJLK-LBPRGKRZSA-N 1 0 219.332 2.271 40 0 BEABRO CNc1ccc([C@H]2CCC[N@@H+]2C)c(C)n1 ZINC000072219086 385105467 /nfs/dbraw/zinc/10/54/67/385105467.db2.gz FNBBUAFVDRBJTA-LLVKDONJSA-N 1 0 205.305 2.198 40 0 BEABRO COc1ccc(SC2=[NH+]CCCN2)cc1 ZINC000226820287 385208424 /nfs/dbraw/zinc/20/84/24/385208424.db2.gz HNTBIJMRBJEBGE-UHFFFAOYSA-N 1 0 222.313 2.137 40 0 BEABRO CC(C)[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000072348450 385228141 /nfs/dbraw/zinc/22/81/41/385228141.db2.gz GJQVBCIGTGUMFV-NSHDSACASA-N 1 0 205.305 2.064 40 0 BEABRO [NH3+][C@@H]1CCCN(CC2(c3ccccc3)CC2)C1 ZINC000096523551 385266868 /nfs/dbraw/zinc/26/68/68/385266868.db2.gz DFNMHQPGVJYFLL-CQSZACIVSA-N 1 0 230.355 2.141 40 0 BEABRO Cn1cncc1C[N@H+](C)C1(C)CCCC1 ZINC000336518973 385501037 /nfs/dbraw/zinc/50/10/37/385501037.db2.gz BSHQKKRWWKMHAY-UHFFFAOYSA-N 1 0 207.321 2.185 40 0 BEABRO C[C@@H]([NH3+])c1nc2cc(Cl)ccc2n1C ZINC000037440192 385654479 /nfs/dbraw/zinc/65/44/79/385654479.db2.gz SSSJJDCWEDVSTP-ZCFIWIBFSA-N 1 0 209.680 2.246 40 0 BEABRO CCOc1ccc([C@@H](C[NH3+])OCC)cc1 ZINC000062711877 385691431 /nfs/dbraw/zinc/69/14/31/385691431.db2.gz WQJCMZJLUSLXDF-GFCCVEGCSA-N 1 0 209.289 2.122 40 0 BEABRO [NH3+]C[C@@]1(CO)C[C@H]1c1cccc(Cl)c1Cl ZINC000062713542 385698408 /nfs/dbraw/zinc/69/84/08/385698408.db2.gz MJDQUHRGPPKQNS-GZMMTYOYSA-N 1 0 246.137 2.418 40 0 BEABRO [NH3+]C[C@]1(CO)C[C@@H]1c1ccccc1C(F)(F)F ZINC000062713612 385698551 /nfs/dbraw/zinc/69/85/51/385698551.db2.gz GFGAEVYBDILOJL-MNOVXSKESA-N 1 0 245.244 2.130 40 0 BEABRO CC(C)c1nnc(CC[NH+]2CCCCCC2)[nH]1 ZINC000062719491 385729265 /nfs/dbraw/zinc/72/92/65/385729265.db2.gz IFSKFWSWPKXFPQ-UHFFFAOYSA-N 1 0 236.363 2.347 40 0 BEABRO CC(C)[C@@H]([NH3+])c1nnc(-c2ccccc2)[nH]1 ZINC000042013491 385732338 /nfs/dbraw/zinc/73/23/38/385732338.db2.gz LDNJWITWIYNEGN-SNVBAGLBSA-N 1 0 216.288 2.128 40 0 BEABRO Cc1cc(-c2cccc([C@H]3CCC[NH2+]3)n2)n[nH]1 ZINC000257242627 385755694 /nfs/dbraw/zinc/75/56/94/385755694.db2.gz IDJRLVZYZUHQFB-SNVBAGLBSA-N 1 0 228.299 2.205 40 0 BEABRO Cc1c[nH]c([C@H]2CCN(Cc3cc(C)on3)C2)n1 ZINC000257252612 385758721 /nfs/dbraw/zinc/75/87/21/385758721.db2.gz JVKXSNHWOYOHAX-NSHDSACASA-N 1 0 246.314 2.004 40 0 BEABRO Cc1c[nH]nc1[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000257285594 385762475 /nfs/dbraw/zinc/76/24/75/385762475.db2.gz PHXDIUUSIMURLF-NSHDSACASA-N 1 0 219.332 2.450 40 0 BEABRO Cc1c[nH]c([C@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000257327895 385763551 /nfs/dbraw/zinc/76/35/51/385763551.db2.gz XDFDWTKNHIXPNS-GFCCVEGCSA-N 1 0 235.331 2.034 40 0 BEABRO CCC[C@H](C(=O)OC)[NH+]1CCCCCC1 ZINC000022538727 385920167 /nfs/dbraw/zinc/92/01/67/385920167.db2.gz YCCIMRALIAVERT-LLVKDONJSA-N 1 0 213.321 2.204 40 0 BEABRO Clc1ccc2c(c1)OCC[C@]21CC[NH2+]1 ZINC000306145357 385992613 /nfs/dbraw/zinc/99/26/13/385992613.db2.gz CIEQKRWKNFQKTM-LLVKDONJSA-N 1 0 209.676 2.311 40 0 BEABRO c1sc([C@H]2C[C@H]3C[NH2+]C[C@H]3O2)nc1C1CC1 ZINC000306130641 385993013 /nfs/dbraw/zinc/99/30/13/385993013.db2.gz JMDIOZGNMKBAGE-JMJZKYOTSA-N 1 0 236.340 2.070 40 0 BEABRO O=C1CCC[C@H]2[NH2+]C[C@H](c3ccccc3)[C@@H]12 ZINC000219772982 385944636 /nfs/dbraw/zinc/94/46/36/385944636.db2.gz IYBQIESBEUYFKD-YRGRVCCFSA-N 1 0 215.296 2.111 40 0 BEABRO Clc1ccc2c(c1)CC[C@@]21COCC[NH2+]1 ZINC000306145791 385993740 /nfs/dbraw/zinc/99/37/40/385993740.db2.gz QHWLSOZPXFURBL-GFCCVEGCSA-N 1 0 223.703 2.101 40 0 BEABRO CC(C)(C)NC(=S)Nc1ccncc1 ZINC000223881766 386108144 /nfs/dbraw/zinc/10/81/44/386108144.db2.gz ROMYDQKCOSLRPQ-UHFFFAOYSA-N 1 0 209.318 2.167 40 0 BEABRO Cc1c[nH]nc1C[N@H+]1CC(C)(C)C[C@@H]1C ZINC000335264236 386148533 /nfs/dbraw/zinc/14/85/33/386148533.db2.gz YQPPSCKHOHNNEK-JTQLQIEISA-N 1 0 207.321 2.339 40 0 BEABRO c1ccc2nc(NC[C@@H]3CCC[NH2+]C3)cnc2c1 ZINC000044029901 386140270 /nfs/dbraw/zinc/14/02/70/386140270.db2.gz WVCMPUROGVKMTA-LLVKDONJSA-N 1 0 242.326 2.041 40 0 BEABRO [NH3+]C[C@@H]1CC[C@H](c2cc(F)cc(F)c2)O1 ZINC000218700418 386410822 /nfs/dbraw/zinc/41/08/22/386410822.db2.gz JCVNEPFOJPAIAS-WDEREUQCSA-N 1 0 213.227 2.144 40 0 BEABRO CCOc1ccc(N[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000218877670 386424282 /nfs/dbraw/zinc/42/42/82/386424282.db2.gz ADZZSJMQSBBVFR-OLZOCXBDSA-N 1 0 220.316 2.377 40 0 BEABRO CCOc1ccccc1N[C@H]1CCC[C@H]1[NH3+] ZINC000218878959 386429578 /nfs/dbraw/zinc/42/95/78/386429578.db2.gz BQLSHFWMMQZGTA-MNOVXSKESA-N 1 0 220.316 2.377 40 0 BEABRO CCOc1ccccc1N[C@@H]1CCC[C@H]1[NH3+] ZINC000218878871 386431158 /nfs/dbraw/zinc/43/11/58/386431158.db2.gz BQLSHFWMMQZGTA-GHMZBOCLSA-N 1 0 220.316 2.377 40 0 BEABRO [NH3+]C[C@H](Cc1nc2ccccc2[nH]1)C(F)(F)F ZINC000575422730 387036433 /nfs/dbraw/zinc/03/64/33/387036433.db2.gz CFUNMTJZYVVVAV-ZETCQYMHSA-N 1 0 243.232 2.243 40 0 BEABRO CN(C(=O)OC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC000263616480 387272650 /nfs/dbraw/zinc/27/26/50/387272650.db2.gz IYBJCNYCFNJFKQ-MGCOHNPYSA-N 1 0 228.336 2.123 40 0 BEABRO C[n+]1ccc(CCC(=O)Nc2ccccc2)cc1 ZINC000001749640 322810697 /nfs/dbraw/zinc/81/06/97/322810697.db2.gz XZXXXRXTOYVDAD-UHFFFAOYSA-O 1 0 241.314 2.082 40 0 BEABRO CCCn1cc(C[NH2+]CCC(C)C)cn1 ZINC000116912062 387852351 /nfs/dbraw/zinc/85/23/51/387852351.db2.gz ZRJSMSJEMMSSEO-UHFFFAOYSA-N 1 0 209.337 2.429 40 0 BEABRO CCCCC[NH2+]Cc1ccn(CC(F)F)n1 ZINC000256050271 387857867 /nfs/dbraw/zinc/85/78/67/387857867.db2.gz DKCVBWQRAKZOBU-UHFFFAOYSA-N 1 0 231.290 2.428 40 0 BEABRO CCCC[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000256050287 387858437 /nfs/dbraw/zinc/85/84/37/387858437.db2.gz DMSTZTSSMNEKBW-UHFFFAOYSA-N 1 0 235.253 2.329 40 0 BEABRO Cc1cnn(C)c1C[NH2+]CCc1ccccc1 ZINC000256053299 387860071 /nfs/dbraw/zinc/86/00/71/387860071.db2.gz QXEGRWNDRRFTPV-UHFFFAOYSA-N 1 0 229.327 2.061 40 0 BEABRO CCCC[NH2+]Cc1cn(CCC)nc1C ZINC000256052743 387860965 /nfs/dbraw/zinc/86/09/65/387860965.db2.gz OLXPOMVSCMXKCY-UHFFFAOYSA-N 1 0 209.337 2.491 40 0 BEABRO Cc1cnn(C)c1C[NH2+]Cc1ccc(F)s1 ZINC000256053581 387861906 /nfs/dbraw/zinc/86/19/06/387861906.db2.gz SAJLFJMUZSDCDH-UHFFFAOYSA-N 1 0 239.319 2.219 40 0 BEABRO CCCC[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000256053785 387862068 /nfs/dbraw/zinc/86/20/68/387862068.db2.gz SVTQZCFABGVMRK-UHFFFAOYSA-N 1 0 235.253 2.335 40 0 BEABRO CCCn1ccc(C[NH2+]CCC(C)C)n1 ZINC000256054534 387862529 /nfs/dbraw/zinc/86/25/29/387862529.db2.gz WSLUIZDCZIPCDK-UHFFFAOYSA-N 1 0 209.337 2.429 40 0 BEABRO CC[C@H]1[NH2+]CCC[C@H]1[C@@H](O)c1ccccc1 ZINC000216536584 388356314 /nfs/dbraw/zinc/35/63/14/388356314.db2.gz HTUWJVPCNGAXBL-MCIONIFRSA-N 1 0 219.328 2.498 40 0 BEABRO [NH3+]Cc1ccc2nc3c(nc2c1)[C@H]1CC[C@@H]3C1 ZINC000217622194 388378246 /nfs/dbraw/zinc/37/82/46/388378246.db2.gz VXCMJHSSHQVAMK-ZJUUUORDSA-N 1 0 225.295 2.453 40 0 BEABRO CCN(C(=O)OC(C)(C)C)[C@H]1C[NH2+]CC[C@@H]1C ZINC000217677499 388379338 /nfs/dbraw/zinc/37/93/38/388379338.db2.gz WQWRYKRMRBWZLF-QWRGUYRKSA-N 1 0 242.363 2.241 40 0 BEABRO CCOc1cncc(/C=C/CC[NH2+]C)c1 ZINC000011689570 388393951 /nfs/dbraw/zinc/39/39/51/388393951.db2.gz HFZDMKMXPGRKCK-GQCTYLIASA-N 1 0 206.289 2.103 40 0 in-vitro BEABRO c1ccc2sc(N[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000040434213 388415200 /nfs/dbraw/zinc/41/52/00/388415200.db2.gz RFCWVOGYAWHRIK-SECBINFHSA-N 1 0 233.340 2.460 40 0 BEABRO Clc1ccc(CN[C@H]2CCC[NH2+]C2)cc1 ZINC000095067828 388590898 /nfs/dbraw/zinc/59/08/98/388590898.db2.gz GJTBBSQMEDUCHK-LBPRGKRZSA-N 1 0 224.735 2.182 40 0 BEABRO Cc1ccc([C@@H](N)C[NH+]2CCCCC2)cc1 ZINC000019821194 388611442 /nfs/dbraw/zinc/61/14/42/388611442.db2.gz KZAQKTBENFPOFP-AWEZNQCLSA-N 1 0 218.344 2.481 40 0 BEABRO CC(C)Cn1c(C(C)(C)C)ccc(C[NH3+])c1=O ZINC000062198914 388650278 /nfs/dbraw/zinc/65/02/78/388650278.db2.gz JTQIEHRRHRBQIW-UHFFFAOYSA-N 1 0 236.359 2.261 40 0 BEABRO CC(C)CC[NH2+]Cc1cnc(NC(C)C)nc1 ZINC000062717647 388655744 /nfs/dbraw/zinc/65/57/44/388655744.db2.gz MVRJOYKIHTUVLZ-UHFFFAOYSA-N 1 0 236.363 2.433 40 0 BEABRO CCCCC[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000062717802 388656099 /nfs/dbraw/zinc/65/60/99/388656099.db2.gz BFFQJCDUMQTRSL-UHFFFAOYSA-N 1 0 248.374 2.357 40 0 BEABRO FC(F)(F)c1cc([C@@H]2CCCC[NH2+]2)[nH]n1 ZINC000019686244 388745054 /nfs/dbraw/zinc/74/50/54/388745054.db2.gz NIKHHHYYFBSTGU-LURJTMIESA-N 1 0 219.210 2.243 40 0 BEABRO FC(F)CNc1ccnc(C2CC[NH2+]CC2)c1 ZINC000257324337 388698083 /nfs/dbraw/zinc/69/80/83/388698083.db2.gz WOFACNYVAMLUTA-UHFFFAOYSA-N 1 0 241.285 2.226 40 0 BEABRO C[NH+](C)[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000070453069 388729724 /nfs/dbraw/zinc/72/97/24/388729724.db2.gz NXQGKXXONBHCTQ-SNVBAGLBSA-N 1 0 233.233 2.300 40 0 BEABRO CC(C)c1noc([C@H]2CCC[NH2+]CC2)n1 ZINC000095095438 388759238 /nfs/dbraw/zinc/75/92/38/388759238.db2.gz DHRNPOAZRADQQG-VIFPVBQESA-N 1 0 209.293 2.050 40 0 BEABRO CN1C[C@H]([NH3+])[C@@H](c2ccc(Cl)cc2Cl)C1 ZINC000225606663 388838766 /nfs/dbraw/zinc/83/87/66/388838766.db2.gz DCULMEWANYUGGF-KOLCDFICSA-N 1 0 245.153 2.350 40 0 BEABRO C[N@@H+]1C[C@H](CO)[C@@H](c2cccc3ccccc32)C1 ZINC000225608911 388839672 /nfs/dbraw/zinc/83/96/72/388839672.db2.gz ZNNSSQQNZDAPMD-CJNGLKHVSA-N 1 0 241.334 2.477 40 0 BEABRO c1ccc(CCN2CC[NH2+][C@H]3CCC[C@@H]32)cc1 ZINC000225715360 388840567 /nfs/dbraw/zinc/84/05/67/388840567.db2.gz YOPZJKSQSZBINE-GJZGRUSLSA-N 1 0 230.355 2.055 40 0 BEABRO Fc1ccc(F)c(N2CC[NH2+][C@@H]3CCC[C@@H]32)c1 ZINC000225717509 388840701 /nfs/dbraw/zinc/84/07/01/388840701.db2.gz SKVSERVTWVFWIX-NEPJUHHUSA-N 1 0 238.281 2.296 40 0 BEABRO CC(C)OCCCN1CC[NH2+][C@@H]2CCCC[C@@H]21 ZINC000225712509 388841547 /nfs/dbraw/zinc/84/15/47/388841547.db2.gz SVOFHSOHNPEOPL-KGLIPLIRSA-N 1 0 240.391 2.018 40 0 BEABRO c1ccc(N2CC[NH2+][C@@H]3CCC[C@H]32)cc1 ZINC000218843247 132290739 /nfs/dbraw/zinc/29/07/39/132290739.db2.gz IWLZDWNEKXPOPY-CHWSQXEVSA-N 1 0 202.301 2.017 40 0 BEABRO C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000013470054 132321695 /nfs/dbraw/zinc/32/16/95/132321695.db2.gz BGVQAXHXGFPYTQ-UHFFFAOYSA-N 1 0 210.708 2.092 40 0 BEABRO C[C@H]1CN(c2ncc(Cl)cc2Cl)CC[NH2+]1 ZINC000052783336 132362314 /nfs/dbraw/zinc/36/23/14/132362314.db2.gz HQXVJMLVRKCXPJ-ZETCQYMHSA-N 1 0 246.141 2.187 40 0 BEABRO C[C@@H]1CN(c2ncc(Cl)cc2Cl)CC[NH2+]1 ZINC000052783335 132362493 /nfs/dbraw/zinc/36/24/93/132362493.db2.gz HQXVJMLVRKCXPJ-SSDOTTSWSA-N 1 0 246.141 2.187 40 0 BEABRO c1cnc([C@H]2CCCN(c3cc[nH+]cc3)C2)cn1 ZINC000072356921 132396341 /nfs/dbraw/zinc/39/63/41/132396341.db2.gz ZXMOHSUDQLQYHL-LBPRGKRZSA-N 1 0 240.310 2.256 40 0 BEABRO [NH3+]C[C@@H]1Cc2ccccc2N(CC2CC2)C1 ZINC000096510385 132431891 /nfs/dbraw/zinc/43/18/91/132431891.db2.gz PGFRBHOXYYHBIN-LBPRGKRZSA-N 1 0 216.328 2.034 40 0 BEABRO [NH3+]Cc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000036896189 398081242 /nfs/dbraw/zinc/08/12/42/398081242.db2.gz UMKMDAHLKBDNCM-UHFFFAOYSA-N 1 0 242.326 2.130 40 0 BEABRO CCCCC[NH2+]Cc1cnc(NCC)nc1 ZINC000062717534 398056030 /nfs/dbraw/zinc/05/60/30/398056030.db2.gz SOINQKQZXAYTLC-UHFFFAOYSA-N 1 0 222.336 2.188 40 0 BEABRO c1nc(N2CCCC2)ncc1C[NH2+]C1CCCC1 ZINC000062717793 398057008 /nfs/dbraw/zinc/05/70/08/398057008.db2.gz UVAKHZXLEOJYDS-UHFFFAOYSA-N 1 0 246.358 2.109 40 0 BEABRO Br[C@]12CCCC[C@@H]1C[NH2+]CC2 ZINC000000158433 166096173 /nfs/dbraw/zinc/09/61/73/166096173.db2.gz FPUFEUQHVSBEPE-BDAKNGLRSA-N 1 0 218.138 2.304 40 0 BEABRO Brc1ccccc1OCC1C[NH2+]C1 ZINC000038580775 166102908 /nfs/dbraw/zinc/10/29/08/166102908.db2.gz YGUFBSDOAWAKBN-UHFFFAOYSA-N 1 0 242.116 2.047 40 0 BEABRO CC(C)OC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000062718784 167171798 /nfs/dbraw/zinc/17/17/98/167171798.db2.gz FOLYPSGRHFILBN-UHFFFAOYSA-N 1 0 237.299 2.441 40 0 BEABRO CC(C)Oc1cccc(C2(O)CC[NH+](C)CC2)c1 ZINC000079030443 167303644 /nfs/dbraw/zinc/30/36/44/167303644.db2.gz KMFPDXSLXVGKRW-UHFFFAOYSA-N 1 0 249.354 2.387 40 0 BEABRO CC1CC(C[NH3+])([C@H](O)c2cccs2)C1 ZINC000085396144 168138677 /nfs/dbraw/zinc/13/86/77/168138677.db2.gz PZXICHOKQSKGFZ-LDGBHUKOSA-N 1 0 211.330 2.157 40 0 BEABRO CCN1Cc2nccn2C[C@H]1c1ccccc1 ZINC000257232558 170041117 /nfs/dbraw/zinc/04/11/17/170041117.db2.gz GLJIYZKGUSESLF-ZDUSSCGKSA-N 1 0 227.311 2.460 40 0 BEABRO CCNC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000217526884 170091960 /nfs/dbraw/zinc/09/19/60/170091960.db2.gz BHTAVLZTAFSIHV-KGLIPLIRSA-N 1 0 246.354 2.048 40 0 BEABRO CC[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000053648446 170122772 /nfs/dbraw/zinc/12/27/72/170122772.db2.gz WNUBSXWDQOHEEU-CQSZACIVSA-N 1 0 218.344 2.261 40 0 BEABRO CC[NH2+]Cc1c(C)[nH]c2ccc(O)cc21 ZINC000144954595 170124355 /nfs/dbraw/zinc/12/43/55/170124355.db2.gz JRGVTMZUAUBRFH-UHFFFAOYSA-N 1 0 204.273 2.291 40 0 BEABRO CC[NH2+][C@@H](Cc1ccccc1)[C@@H]1CCCO1 ZINC000001708380 170146405 /nfs/dbraw/zinc/14/64/05/170146405.db2.gz DOFCLOLKFGSRTG-KBPBESRZSA-N 1 0 219.328 2.386 40 0 in-man BEABRO CC[NH2+][C@H](C)C(=O)c1ccc(C)cc1C ZINC000041609506 170157082 /nfs/dbraw/zinc/15/70/82/170157082.db2.gz SJPGBKUKQFPPPH-LLVKDONJSA-N 1 0 205.301 2.484 40 0 in-vitro BEABRO CCOC(=O)N[C@H](C)CCC[NH+](CC)CC ZINC000001690145 170242899 /nfs/dbraw/zinc/24/28/99/170242899.db2.gz DSNGKTLFGUTLPW-LLVKDONJSA-N 1 0 230.352 2.243 40 0 BEABRO CCOC(C)(OCC)[C@H]([NH3+])c1ccccc1 ZINC000005837382 170314927 /nfs/dbraw/zinc/31/49/27/170314927.db2.gz ZFKGUCWEEBUBET-GFCCVEGCSA-N 1 0 223.316 2.476 40 0 BEABRO CCO[C@H](C[NH2+]C)c1cc(F)ccc1F ZINC000062711577 170504617 /nfs/dbraw/zinc/50/46/17/170504617.db2.gz UARUSPQVDWHIIH-LLVKDONJSA-N 1 0 215.243 2.262 40 0 BEABRO CCOc1ccc([C@@H](CO)[NH+]2CCCC2)cc1 ZINC000041265935 170559157 /nfs/dbraw/zinc/55/91/57/170559157.db2.gz PMKVULKWGMDLAQ-CQSZACIVSA-N 1 0 235.327 2.215 40 0 BEABRO CC[C@@](C)(C(=O)OC)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022123489 171163532 /nfs/dbraw/zinc/16/35/32/171163532.db2.gz IMWNBBNBQVEZCR-LOWVWBTDSA-N 1 0 227.348 2.306 40 0 BEABRO CC[C@@]1(C)NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000008627323 171208382 /nfs/dbraw/zinc/20/83/82/171208382.db2.gz MYLMXQMQEPKGGQ-LBPRGKRZSA-N 1 0 229.287 2.069 40 0 BEABRO CC[C@H](C)[NH2+]C[C@H](O)COc1ccccc1C ZINC000016758639 171341770 /nfs/dbraw/zinc/34/17/70/171341770.db2.gz ILLZYUQZSHRPQG-STQMWFEESA-N 1 0 237.343 2.123 40 0 BEABRO CC[C@H](C)[C@H]([NH3+])CN(CC)Cc1ccncc1 ZINC000042516906 171396302 /nfs/dbraw/zinc/39/63/02/171396302.db2.gz RXTNZCKMPYFWTC-GXTWGEPZSA-N 1 0 235.375 2.277 40 0 BEABRO CCn1c(C)c(C[NH3+])c2cc(O)ccc21 ZINC000082639548 172134894 /nfs/dbraw/zinc/13/48/94/172134894.db2.gz REJIODOMRCNPEQ-UHFFFAOYSA-N 1 0 204.273 2.134 40 0 BEABRO CCn1c2ccccc2nc1O[C@@H]1CCC[NH2+]C1 ZINC000043220240 172146731 /nfs/dbraw/zinc/14/67/31/172146731.db2.gz MPKFDKZDHSELRA-LLVKDONJSA-N 1 0 245.326 2.187 40 0 BEABRO CCn1cc(C[NH2+]CCCOC(C)C)c(C)n1 ZINC000256050545 172169951 /nfs/dbraw/zinc/16/99/51/172169951.db2.gz FKLWGHYVSCYGBR-UHFFFAOYSA-N 1 0 239.363 2.116 40 0 BEABRO CCn1cc(C[NH2+]CCC(C)C)c(C)n1 ZINC000256053096 172170217 /nfs/dbraw/zinc/17/02/17/172170217.db2.gz PZQNHSASIPFMKS-UHFFFAOYSA-N 1 0 209.337 2.347 40 0 BEABRO CCn1ccc([C@@H](C)[NH2+]CCCOC)c1 ZINC000078406191 172201089 /nfs/dbraw/zinc/20/10/89/172201089.db2.gz GIOTVBWFONAQSR-LLVKDONJSA-N 1 0 210.321 2.195 40 0 BEABRO CCn1cnnc1C[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000097237428 172236695 /nfs/dbraw/zinc/23/66/95/172236695.db2.gz QDSVUTKYFJQKOM-WOPDTQHZSA-N 1 0 236.363 2.212 40 0 BEABRO C[NH+]1CCC(COc2cccc(F)c2N)CC1 ZINC000067800757 172986463 /nfs/dbraw/zinc/98/64/63/172986463.db2.gz YFJOXACNOFWELQ-UHFFFAOYSA-N 1 0 238.306 2.129 40 0 BEABRO C[N@@H+]1CCC[C@@H](c2cccc(-n3ccnc3)n2)C1 ZINC000072355462 173022222 /nfs/dbraw/zinc/02/22/22/173022222.db2.gz SZDSNPRZUPTALK-GFCCVEGCSA-N 1 0 242.326 2.077 40 0 BEABRO C[N@@H+]1CCC[C@H](c2cccc(-n3ccnc3)n2)C1 ZINC000072355461 173048954 /nfs/dbraw/zinc/04/89/54/173048954.db2.gz SZDSNPRZUPTALK-LBPRGKRZSA-N 1 0 242.326 2.077 40 0 BEABRO CN1C[C@H]([NH3+])[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000217661465 173192923 /nfs/dbraw/zinc/19/29/23/173192923.db2.gz UIWXGHGHPNUHNF-KWQFWETISA-N 1 0 245.153 2.350 40 0 BEABRO C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccccc1)C2 ZINC000000238878 173207547 /nfs/dbraw/zinc/20/75/47/173207547.db2.gz OEEGGTCSQOZQJO-PBWFPOADSA-N 1 0 217.312 2.131 40 0 BEABRO C[NH2+]C1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000079437573 173322078 /nfs/dbraw/zinc/32/20/78/173322078.db2.gz UXCMOYRSKKQIHL-UHFFFAOYSA-N 1 0 242.363 2.384 40 0 BEABRO C[NH2+]CCCNc1cc[nH+]c2ccc(OC)cc12 ZINC000222681154 173349469 /nfs/dbraw/zinc/34/94/69/173349469.db2.gz HHNVJKSODSQUJZ-UHFFFAOYSA-N 1 0 245.326 2.265 40 0 BEABRO C[NH2+]CC[C@H](CCO)c1ccc(C)cc1 ZINC000217800143 173359181 /nfs/dbraw/zinc/35/91/81/173359181.db2.gz CVHZNJLZMGPNGX-CYBMUJFWSA-N 1 0 207.317 2.071 40 0 BEABRO C[NH2+]Cc1cc(-c2cccc(OC)c2)no1 ZINC000035655523 173385900 /nfs/dbraw/zinc/38/59/00/173385900.db2.gz PARFINZMBSJRMJ-UHFFFAOYSA-N 1 0 218.256 2.070 40 0 BEABRO C[NH2+][C@H]1CC[C@H](Cc2ccncc2)CC1 ZINC000257260096 173438777 /nfs/dbraw/zinc/43/87/77/173438777.db2.gz LBHDZHKHSDWXPY-AULYBMBSSA-N 1 0 204.317 2.402 40 0 BEABRO COc1cc(C[C@H](C)[NH3+])c(OC)cc1Cl ZINC000025982050 174987777 /nfs/dbraw/zinc/98/77/77/174987777.db2.gz ACRITBNCBMTINK-ZETCQYMHSA-N 1 0 229.707 2.247 40 0 in-vitro BEABRO COc1cc(OC)c(SC)cc1C[C@H](C)[NH3+] ZINC000001872016 175007917 /nfs/dbraw/zinc/00/79/17/175007917.db2.gz BEMIKIUJWHLJTP-QMMMGPOBSA-N 1 0 241.356 2.315 40 0 BEABRO COc1ccc(-c2nnc([C@H]([NH3+])C(C)C)[nH]2)cc1 ZINC000095534705 175039721 /nfs/dbraw/zinc/03/97/21/175039721.db2.gz BUMDASOMVPGRGW-LLVKDONJSA-N 1 0 246.314 2.136 40 0 BEABRO COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000001581733 175084371 /nfs/dbraw/zinc/08/43/71/175084371.db2.gz NJNIMTINFXBEKA-NNQSOWQGSA-N 1 0 247.338 2.139 40 0 BEABRO COc1ccc(C[NH2+]Cc2cnn(C)c2C)cc1 ZINC000002536058 175108379 /nfs/dbraw/zinc/10/83/79/175108379.db2.gz SKZJUNHRAWUZKK-UHFFFAOYSA-N 1 0 245.326 2.027 40 0 BEABRO COc1ccc([C@H]([NH3+])c2cccnc2)cc1 ZINC000008699684 175192823 /nfs/dbraw/zinc/19/28/23/175192823.db2.gz XUKDXAGGXGAMBG-ZDUSSCGKSA-N 1 0 214.268 2.138 40 0 BEABRO COc1ccc([C@H]2C[C@H]2[C@H](C)[NH3+])cc1OC ZINC000036056706 175197894 /nfs/dbraw/zinc/19/78/94/175197894.db2.gz HYRHCZXUDHOWNL-INTQDDNPSA-N 1 0 221.300 2.155 40 0 BEABRO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH3+])c(OC)c1 ZINC000020392313 175198159 /nfs/dbraw/zinc/19/81/59/175198159.db2.gz RRLUYITYNNJRHP-GGZOMVNGSA-N 1 0 221.300 2.155 40 0 BEABRO COc1ccc2[nH]c([C@H]3CCCC[NH2+]3)nc2c1 ZINC000075629702 175202309 /nfs/dbraw/zinc/20/23/09/175202309.db2.gz IKDXGJAUCVXUIK-LLVKDONJSA-N 1 0 231.299 2.386 40 0 BEABRO COc1cccc(CCCN2CCC[C@@H]([NH3+])C2)c1 ZINC000096523534 175251770 /nfs/dbraw/zinc/25/17/70/175251770.db2.gz ARZQKFUEFMDIOE-CQSZACIVSA-N 1 0 248.370 2.051 40 0 BEABRO COc1cccc(OC)c1[C@H]1CCC[NH2+]1 ZINC000003732288 175282252 /nfs/dbraw/zinc/28/22/52/175282252.db2.gz ZPZQQZBQBVNECV-SECBINFHSA-N 1 0 207.273 2.128 40 0 BEABRO COc1cccc([C@H]([NH3+])c2ccccn2)c1 ZINC000037466293 175295259 /nfs/dbraw/zinc/29/52/59/175295259.db2.gz OPWJTMNXFGQJRI-ZDUSSCGKSA-N 1 0 214.268 2.138 40 0 BEABRO COc1ccccc1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000218858013 175339197 /nfs/dbraw/zinc/33/91/97/175339197.db2.gz HKMJGMFSZBIRSZ-GHMZBOCLSA-N 1 0 220.316 2.377 40 0 BEABRO COc1ccccc1OC[C@@H]1CCC[N@H+](C)C1 ZINC000072367685 175341666 /nfs/dbraw/zinc/34/16/66/175341666.db2.gz UOPIIEOERRIKDC-GFCCVEGCSA-N 1 0 235.327 2.416 40 0 BEABRO COc1ccccc1[C@@H](CO)[NH+]1CCCCC1 ZINC000041265833 175346493 /nfs/dbraw/zinc/34/64/93/175346493.db2.gz MNKBSRJRBAODSB-CYBMUJFWSA-N 1 0 235.327 2.215 40 0 BEABRO COc1ccccc1[C@@H]1C[NH2+]CCN1CC1CC1 ZINC000257224376 175348110 /nfs/dbraw/zinc/34/81/10/175348110.db2.gz FBOOTGMUNYRVRI-AWEZNQCLSA-N 1 0 246.354 2.052 40 0 BEABRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccccc1F ZINC000019575156 176323254 /nfs/dbraw/zinc/32/32/54/176323254.db2.gz NZRKNMWYVXNMMZ-TZMCWYRMSA-N 1 0 248.345 2.494 40 0 BEABRO C[C@@H]1C[NH2+]CCN1Cc1ccc(Cl)cc1 ZINC000041245327 176326592 /nfs/dbraw/zinc/32/65/92/176326592.db2.gz HBRBKPUWPAQEHC-SNVBAGLBSA-N 1 0 224.735 2.134 40 0 BEABRO C[C@@H]1C[NH2+]CCN1Cc1ccc(F)c(Cl)c1 ZINC000067800293 176327073 /nfs/dbraw/zinc/32/70/73/176327073.db2.gz YAAQPLCLWDUYON-SECBINFHSA-N 1 0 242.725 2.273 40 0 BEABRO C[C@H](O[C@H]1CC[NH2+]C1)c1ccccc1F ZINC000096529866 177021752 /nfs/dbraw/zinc/02/17/52/177021752.db2.gz JOAPWZVBSXWBCB-UWVGGRQHSA-N 1 0 209.264 2.265 40 0 BEABRO C[C@H](O[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000096529850 177021858 /nfs/dbraw/zinc/02/18/58/177021858.db2.gz BYYSIIGQQQFDCJ-CABZTGNLSA-N 1 0 209.264 2.265 40 0 BEABRO C[C@H](O[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000096529846 177022082 /nfs/dbraw/zinc/02/20/82/177022082.db2.gz BYYSIIGQQQFDCJ-JOYOIKCWSA-N 1 0 209.264 2.265 40 0 BEABRO C[C@H]([C@H](O)c1ccccc1)[n+]1ccccc1 ZINC000001712268 177031342 /nfs/dbraw/zinc/03/13/42/177031342.db2.gz YFPQJXQDJMCHQA-OCCSQVGLSA-N 1 0 214.288 2.269 40 0 BEABRO C[C@H](c1ccc(F)cc1)[N@H+](CCO)C1CC1 ZINC000079421193 177034452 /nfs/dbraw/zinc/03/44/52/177034452.db2.gz VLJHWQVPIWVCTR-SNVBAGLBSA-N 1 0 223.291 2.343 40 0 BEABRO C[C@H](c1cccc(Cl)c1)N1CC[NH2+]CC1 ZINC000022115298 177036538 /nfs/dbraw/zinc/03/65/38/177036538.db2.gz KJMZWWHGQDDCQJ-SNVBAGLBSA-N 1 0 224.735 2.306 40 0 BEABRO C[C@H]1C[C@@H]2CC[N@H+](Cc3cccnc3)C[C@H]2O1 ZINC000096062535 177352646 /nfs/dbraw/zinc/35/26/46/177352646.db2.gz HJBJNYMZAUZJMZ-FPMFFAJLSA-N 1 0 232.327 2.081 40 0 BEABRO C[C@H](C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C)[S@@](C)=O ZINC000195560808 177357215 /nfs/dbraw/zinc/35/72/15/177357215.db2.gz GWNOXSJHARWDTG-NVGYGPBWSA-N 1 0 231.405 2.168 40 0 BEABRO C[C@H]1C[C@]1(C[NH3+])[C@@H](O)c1cccc(Cl)c1 ZINC000216576393 177387393 /nfs/dbraw/zinc/38/73/93/177387393.db2.gz XBJANVHKFVLHTL-KPXOXKRLSA-N 1 0 225.719 2.358 40 0 BEABRO COc1ccc([C@H]2C3CC[NH+]2CC3)cc1 ZINC000002027830 322810993 /nfs/dbraw/zinc/81/09/93/322810993.db2.gz QLRLZEWDPOYUOZ-ZDUSSCGKSA-N 1 0 203.285 2.462 40 0 BEABRO Clc1ccccc1CNC[C@H]1CCC[NH2+]1 ZINC000072202835 487994326 /nfs/dbraw/zinc/99/43/26/487994326.db2.gz ZUXQKLVADHYGQM-LLVKDONJSA-N 1 0 224.735 2.182 40 0 BEABRO CCCc1ccc(C[NH2+]C[C@@H]2CCCO2)n1C ZINC000226020714 521396493 /nfs/dbraw/zinc/39/64/93/521396493.db2.gz GCNKCUZRQDQKKS-AWEZNQCLSA-N 1 0 236.359 2.246 40 0 BEABRO CCn1cc(Cc2cccc(C)c2)[nH+]c1N ZINC000199550183 523398605 /nfs/dbraw/zinc/39/86/05/523398605.db2.gz WRWNCDKIGFDDCA-UHFFFAOYSA-N 1 0 215.300 2.384 40 0 BEABRO COc1ccc2c(c1)CCC[C@@]21CC[NH2+]1 ZINC000084179070 525520565 /nfs/dbraw/zinc/52/05/65/525520565.db2.gz HYNZVFUZJDJRNU-CYBMUJFWSA-N 1 0 203.285 2.220 40 0 BEABRO NC(=[NH2+])Cc1ccc(C(F)(F)F)cc1F ZINC000228969087 526818086 /nfs/dbraw/zinc/81/80/86/526818086.db2.gz RYIJQMLVQSZHSF-UHFFFAOYSA-N 1 0 220.169 2.323 40 0 BEABRO NC(=[NH2+])c1cc(F)ccc1C(F)(F)F ZINC000089065264 526820575 /nfs/dbraw/zinc/82/05/75/526820575.db2.gz HKWZJGQSNHPWSD-UHFFFAOYSA-N 1 0 206.142 2.129 40 0 BEABRO Cn1cc(Cc2cccc(Cl)c2)[nH+]c1N ZINC000199550834 527236673 /nfs/dbraw/zinc/23/66/73/527236673.db2.gz WOWBAWBOIVKMSM-UHFFFAOYSA-N 1 0 221.691 2.247 40 0 BEABRO c1ccc(C2=C(NC3CC[NH2+]CC3)C2)cc1 ZINC001560406241 991469055 /nfs/dbraw/zinc/46/90/55/991469055.db2.gz VNPFWLKWGBVPCJ-UHFFFAOYSA-N 1 0 214.312 2.143 40 0 BEABRO CCN(CC)CCNC(=[NH2+])c1ccccc1C ZINC000001685206 136207218 /nfs/dbraw/zinc/20/72/18/136207218.db2.gz RAYACBJSIZBXEK-UHFFFAOYSA-N 1 0 233.359 2.252 40 0 BEABRO Cc1cc(C[NH2+]CCc2ccccc2)n(C)n1 ZINC000089182296 178022374 /nfs/dbraw/zinc/02/23/74/178022374.db2.gz GZBPUWIQTAWHQH-UHFFFAOYSA-N 1 0 229.327 2.061 40 0 BEABRO Cc1cc(CN2CC[C@H]3[C@H]2CC[N@H+]3C)oc1C ZINC000096184263 178003824 /nfs/dbraw/zinc/00/38/24/178003824.db2.gz UFIIQDCIMMNMSQ-UONOGXRCSA-N 1 0 234.343 2.175 40 0 BEABRO CC(C)C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000072361108 343980061 /nfs/dbraw/zinc/98/00/61/343980061.db2.gz SXCPPZPZCNCMJW-LBPRGKRZSA-N 1 0 219.332 2.312 40 0 BEABRO Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000038539802 178085999 /nfs/dbraw/zinc/08/59/99/178085999.db2.gz DOPXEIPYVQYVPR-CYBMUJFWSA-N 1 0 223.291 2.091 40 0 BEABRO Cc1cc(F)ccc1OC1CC[NH2+]CC1 ZINC000020443118 178091510 /nfs/dbraw/zinc/09/15/10/178091510.db2.gz VUTZZQWPOVITLA-UHFFFAOYSA-N 1 0 209.264 2.265 40 0 BEABRO C[NH+]1CCC(C(=O)Nc2ccccc2F)CC1 ZINC000074713342 398208134 /nfs/dbraw/zinc/20/81/34/398208134.db2.gz MPKWQCTYBXVYHB-UHFFFAOYSA-N 1 0 236.290 2.106 40 0 BEABRO COC(=O)c1cc(C2CC[NH2+]CC2)ccc1F ZINC000075869567 398229705 /nfs/dbraw/zinc/22/97/05/398229705.db2.gz HCTVZJYFPCZLFE-UHFFFAOYSA-N 1 0 237.274 2.079 40 0 BEABRO Cc1cc2c(cc1Br)C[NH2+]CC2 ZINC000039110947 178284659 /nfs/dbraw/zinc/28/46/59/178284659.db2.gz GLMATKSWEICTPR-UHFFFAOYSA-N 1 0 226.117 2.403 40 0 BEABRO Cc1cc[n+](C[C@H](O)c2ccccc2)cc1 ZINC000006522260 178308709 /nfs/dbraw/zinc/30/87/09/178308709.db2.gz CWDIXNGPTCGMOR-AWEZNQCLSA-N 1 0 214.288 2.016 40 0 BEABRO Cc1ccc(-c2cc(CC[NH3+])no2)cc1 ZINC000020270373 178320374 /nfs/dbraw/zinc/32/03/74/178320374.db2.gz MSXMTHHUUZFTEY-UHFFFAOYSA-N 1 0 202.257 2.151 40 0 BEABRO Cc1ccc(-c2nc(C[NH3+])c(C)o2)s1 ZINC000082640762 178334845 /nfs/dbraw/zinc/33/48/45/178334845.db2.gz GRIQFQAGMUJZCZ-UHFFFAOYSA-N 1 0 208.286 2.479 40 0 BEABRO Cc1c(-c2ccc(C)cc2)[nH+]c(N)n1C ZINC000199560762 178335680 /nfs/dbraw/zinc/33/56/80/178335680.db2.gz PNVYFOMEARPTNL-UHFFFAOYSA-N 1 0 201.273 2.286 40 0 BEABRO Cc1ccccc1[C@@](C)(CN)[NH+]1CCCC1 ZINC000070453396 259313769 /nfs/dbraw/zinc/31/37/69/259313769.db2.gz MMOFUEINCYYSKT-CQSZACIVSA-N 1 0 218.344 2.265 40 0 BEABRO Cn1c2ccccc2[n+](C)c1-c1ccccc1O ZINC000000225660 342680689 /nfs/dbraw/zinc/68/06/89/342680689.db2.gz WMJIOHLLKMHFGC-UHFFFAOYSA-O 1 0 239.298 2.375 40 0 BEABRO CCOC(=O)C[C@H]([NH2+]C1CC1)c1ccccc1 ZINC000072210266 259316378 /nfs/dbraw/zinc/31/63/78/259316378.db2.gz JHJGVLZLXIUSNK-ZDUSSCGKSA-N 1 0 233.311 2.433 40 0 BEABRO CCCC(=O)[C@H](CC[NH+](C)C)c1ccccn1 ZINC000002045654 342715282 /nfs/dbraw/zinc/71/52/82/342715282.db2.gz SOSGINVUTGVQHI-GFCCVEGCSA-N 1 0 234.343 2.486 40 0 BEABRO Cc1cc(N)ncc1[C@H]1CCCC[N@H+]1C ZINC000072218515 259318479 /nfs/dbraw/zinc/31/84/79/259318479.db2.gz LIDDDKNOHGGGSW-LLVKDONJSA-N 1 0 205.305 2.129 40 0 BEABRO COC(C[NH2+][C@@H](C)c1c[nH]c2ccccc21)OC ZINC000003847518 342738223 /nfs/dbraw/zinc/73/82/23/342738223.db2.gz YCVXYHZKRMVTII-JTQLQIEISA-N 1 0 248.326 2.437 40 0 BEABRO Cc1nn(C(C)C)c(C)c1[C@@H](C)OCC[NH3+] ZINC000072219917 259318944 /nfs/dbraw/zinc/31/89/44/259318944.db2.gz OXKIAGHSFWKFBR-LLVKDONJSA-N 1 0 225.336 2.117 40 0 BEABRO CCN(Cc1ccncc1)C[C@H]1CCCC[NH2+]1 ZINC000042516893 342778012 /nfs/dbraw/zinc/77/80/12/342778012.db2.gz RFGXYCRSVWLKLU-CQSZACIVSA-N 1 0 233.359 2.046 40 0 BEABRO CC(C)CCOc1ccccc1[C@@H](O)C[NH3+] ZINC000072220127 259319386 /nfs/dbraw/zinc/31/93/86/259319386.db2.gz ROWQZOXBSBHRFP-LBPRGKRZSA-N 1 0 223.316 2.104 40 0 BEABRO C[NH2+]Cc1cnc(N2CCCCC2)c(C)c1 ZINC000072222470 259320081 /nfs/dbraw/zinc/32/00/81/259320081.db2.gz NYVJUUOSGVZSJE-UHFFFAOYSA-N 1 0 219.332 2.100 40 0 BEABRO Cc1cc(N)ncc1[C@H]([NH3+])c1ccccc1 ZINC000072223089 259320764 /nfs/dbraw/zinc/32/07/64/259320764.db2.gz BASWNCGTZCHHDV-CYBMUJFWSA-N 1 0 213.284 2.020 40 0 BEABRO Fc1ccc(-c2nnc([C@H]3CCC[NH2+]3)[nH]2)cc1 ZINC000012114028 342846769 /nfs/dbraw/zinc/84/67/69/342846769.db2.gz WDPPEBUDKVVXTC-SNVBAGLBSA-N 1 0 232.262 2.035 40 0 BEABRO CC(C)c1ccc([C@@H]2C[N@H+](C)C[C@@H]2CO)cc1 ZINC000217671646 398322711 /nfs/dbraw/zinc/32/27/11/398322711.db2.gz OLZNQGPPDNVRMI-CABCVRRESA-N 1 0 233.355 2.448 40 0 BEABRO Cc1ccc(Cn2cccc2C[NH3+])cc1 ZINC000021782417 343020840 /nfs/dbraw/zinc/02/08/40/343020840.db2.gz OKFBBARXYIYEOW-UHFFFAOYSA-N 1 0 200.285 2.304 40 0 BEABRO COC(=O)[C@@H](C(C)C)[N@@H+]1CCCC[C@@H]1C ZINC000022123322 343040340 /nfs/dbraw/zinc/04/03/40/343040340.db2.gz LGVTXLWASYUXKR-WDEREUQCSA-N 1 0 213.321 2.058 40 0 BEABRO C[C@@H](C[NH2+]Cc1ccccc1)N1CCCC1 ZINC000022073566 343039578 /nfs/dbraw/zinc/03/95/78/343039578.db2.gz XFAFMLBPIGURDY-ZDUSSCGKSA-N 1 0 218.344 2.261 40 0 BEABRO Cc1ccc(CN2CCCC[C@H]2C[NH3+])s1 ZINC000044539822 349791705 /nfs/dbraw/zinc/79/17/05/349791705.db2.gz ORCMBXHNCCIXRO-NSHDSACASA-N 1 0 224.373 2.370 40 0 BEABRO C[C@@H](C[NH+]1CCCCC1)N1CCCCC1 ZINC000022859151 343056095 /nfs/dbraw/zinc/05/60/95/343056095.db2.gz CKFAMVRZYMQMFF-ZDUSSCGKSA-N 1 0 210.365 2.347 40 0 BEABRO CCN(CC)CC[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000023477133 343065119 /nfs/dbraw/zinc/06/51/19/343065119.db2.gz LDWNBSDGQACSSP-OKILXGFUSA-N 1 0 224.392 2.450 40 0 BEABRO CCN(CC)CC[N@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1 ZINC000023477135 343065165 /nfs/dbraw/zinc/06/51/65/343065165.db2.gz CICDOJLASYRIJX-XGUBFFRZSA-N 1 0 234.387 2.082 40 0 BEABRO Cc1c(F)cccc1C[NH+]1CCC(O)CC1 ZINC000038539534 343100487 /nfs/dbraw/zinc/10/04/87/343100487.db2.gz RSRVWSQFXILJSU-UHFFFAOYSA-N 1 0 223.291 2.091 40 0 BEABRO COC(=O)[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1 ZINC000035133484 343286217 /nfs/dbraw/zinc/28/62/17/343286217.db2.gz ZDQVLZVASBBIBI-VIFPVBQESA-N 1 0 241.718 2.239 40 0 BEABRO CCc1cc(OC)c(C[C@H](C)[NH3+])cc1OC ZINC000001850397 362149873 /nfs/dbraw/zinc/14/98/73/362149873.db2.gz HXJKWPGVENNMCC-VIFPVBQESA-N 1 0 223.316 2.156 40 0 in-man BEABRO CCc1cc(OC)c(C[C@@H](C)[NH3+])cc1OC ZINC000001850396 362150483 /nfs/dbraw/zinc/15/04/83/362150483.db2.gz HXJKWPGVENNMCC-SECBINFHSA-N 1 0 223.316 2.156 40 0 in-man BEABRO COC(=O)C[C@H](C)[NH2+]Cc1ccccc1Cl ZINC000035747998 343303538 /nfs/dbraw/zinc/30/35/38/343303538.db2.gz XHOUUANGUVMOFH-VIFPVBQESA-N 1 0 241.718 2.381 40 0 BEABRO COC(=O)C[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC000035748469 343303787 /nfs/dbraw/zinc/30/37/87/343303787.db2.gz MWYNARUHGOETBJ-LLVKDONJSA-N 1 0 221.300 2.036 40 0 BEABRO Clc1ccc([C@H]2C[NH2+]CCN2)cc1Cl ZINC000038531983 343376412 /nfs/dbraw/zinc/37/64/12/343376412.db2.gz PUJZPGUYDJGSAC-SNVBAGLBSA-N 1 0 231.126 2.227 40 0 BEABRO COC(=O)[C@@H](C)C[NH2+]CCCc1ccccc1 ZINC000037486123 343347003 /nfs/dbraw/zinc/34/70/03/343347003.db2.gz ISHNNDBUVZKUEY-LBPRGKRZSA-N 1 0 235.327 2.018 40 0 BEABRO CC[C@@H](c1ccccc1)N(C(=O)[C@H](C)[NH3+])C1CC1 ZINC000079421266 343400794 /nfs/dbraw/zinc/40/07/94/343400794.db2.gz GUTOZEGTJSJQMH-FZMZJTMJSA-N 1 0 246.354 2.476 40 0 BEABRO CCO[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042956411 343459687 /nfs/dbraw/zinc/45/96/87/343459687.db2.gz KOHMHCBVMUCCJN-SNVBAGLBSA-N 1 0 244.132 2.485 40 0 BEABRO COC(=O)[C@@H](C)C[NH2+][C@H](C)CCc1ccccc1 ZINC000044288543 343497266 /nfs/dbraw/zinc/49/72/66/343497266.db2.gz CBHOGIOVSJMKPU-QWHCGFSZSA-N 1 0 249.354 2.406 40 0 BEABRO C[C@H](C[NH2+]C1CCCC1)C(=O)OC(C)(C)C ZINC000047219133 343559829 /nfs/dbraw/zinc/55/98/29/343559829.db2.gz HKHKVMSWNAZYCV-SNVBAGLBSA-N 1 0 227.348 2.496 40 0 BEABRO Fc1ccc2[nH]cc([C@@H]3CC[NH2+]C3)c2c1 ZINC000013806188 343671532 /nfs/dbraw/zinc/67/15/32/343671532.db2.gz ZWQBLJKCRPTUSP-MRVPVSSYSA-N 1 0 204.248 2.384 40 0 BEABRO OCc1ccc([C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000083693662 343657818 /nfs/dbraw/zinc/65/78/18/343657818.db2.gz OZHONUGJWHPOHV-MRXNPFEDSA-N 1 0 239.318 2.414 40 0 BEABRO CCCCOc1ccc(CN2CC[C@H]([NH3+])C2)cc1 ZINC000096523471 343758602 /nfs/dbraw/zinc/75/86/02/343758602.db2.gz SWRQGQGIWAEEFM-AWEZNQCLSA-N 1 0 248.370 2.399 40 0 BEABRO CC(C)c1ccc([C@H]2C[NH2+]C[C@@H]2CO)cc1 ZINC000396889105 343810884 /nfs/dbraw/zinc/81/08/84/343810884.db2.gz WPBFLTJXKXQYSU-ZIAGYGMSSA-N 1 0 219.328 2.105 40 0 BEABRO Cc1ccc(CNC[C@@H]2CCCC[NH2+]2)cc1 ZINC000072203999 178610000 /nfs/dbraw/zinc/61/00/00/178610000.db2.gz CWFBAQCDOMBJKW-AWEZNQCLSA-N 1 0 218.344 2.227 40 0 BEABRO CC[C@@H](c1ccccc1)N(C(=O)C[NH3+])C1CC1 ZINC000079421176 344111669 /nfs/dbraw/zinc/11/16/69/344111669.db2.gz LQPYDHWFVPEZDN-ZDUSSCGKSA-N 1 0 232.327 2.087 40 0 BEABRO CC[C@H](C)[N@@H+]1CCC[C@]2(CN(C(C)C)C2=O)C1 ZINC000585099689 344131857 /nfs/dbraw/zinc/13/18/57/344131857.db2.gz YIKDKAUOMQAHCL-GXTWGEPZSA-N 1 0 238.375 2.118 40 0 BEABRO CC(C)(C)n1cc(C[NH3+])c(C(F)(F)F)n1 ZINC000057354243 259374349 /nfs/dbraw/zinc/37/43/49/259374349.db2.gz GGBQCNIZVTVOFX-UHFFFAOYSA-N 1 0 221.226 2.116 40 0 BEABRO [NH3+][C@@H]1COc2c(Cl)cc(Cl)cc2C1 ZINC000016083041 344287229 /nfs/dbraw/zinc/28/72/29/344287229.db2.gz GXCBWMMYGZXYSB-ZETCQYMHSA-N 1 0 218.083 2.256 40 0 BEABRO CCC[N@@H+]1CCC[C@H]1c1c[nH]c(=O)c(C)c1 ZINC000072217960 344514091 /nfs/dbraw/zinc/51/40/91/344514091.db2.gz AGJVINAMUDZKQN-LBPRGKRZSA-N 1 0 220.316 2.230 40 0 BEABRO Cc1cc(C)cc(NC(=O)NC2CC[NH2+]CC2)c1 ZINC000004910424 346255598 /nfs/dbraw/zinc/25/55/98/346255598.db2.gz SEEPLLCTEFBVGK-UHFFFAOYSA-N 1 0 247.342 2.177 40 0 BEABRO Cc1ccc(Nc2cc(N)ncn2)cc1 ZINC000001685636 346464559 /nfs/dbraw/zinc/46/45/59/346464559.db2.gz MTQLDBNSDIKUKO-UHFFFAOYSA-N 1 0 200.245 2.111 40 0 BEABRO C[C@@H]1CN(c2ccc(Cl)cc2N)C[C@@H](C)[NH2+]1 ZINC000008702476 346562722 /nfs/dbraw/zinc/56/27/22/346562722.db2.gz QESTVEVMZBMELA-RKDXNWHRSA-N 1 0 239.750 2.109 40 0 BEABRO C[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@@H](C)C[NH2+]1 ZINC000005912341 346632838 /nfs/dbraw/zinc/63/28/38/346632838.db2.gz FKYVJLAHWSGDPJ-LOWVWBTDSA-N 1 0 233.311 2.230 40 0 BEABRO Cc1cccc([C@@H](CN)[NH+]2CCCC2)c1 ZINC000038808841 179184858 /nfs/dbraw/zinc/18/48/58/179184858.db2.gz BBSLVZVOUQMTNI-CYBMUJFWSA-N 1 0 204.317 2.091 40 0 BEABRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C[NH3+] ZINC000097759029 347285930 /nfs/dbraw/zinc/28/59/30/347285930.db2.gz JMUPBYYAOYIPQE-QWRGUYRKSA-N 1 0 242.363 2.228 40 0 BEABRO Cc1cccc([C@H](C[NH3+])N2CCCCC2)c1 ZINC000038809141 179199296 /nfs/dbraw/zinc/19/92/96/179199296.db2.gz MUCTYFFCYRIBAA-AWEZNQCLSA-N 1 0 218.344 2.481 40 0 BEABRO CCCn1c2ccccc2nc1[C@@H](C)[NH3+] ZINC000019734258 347268532 /nfs/dbraw/zinc/26/85/32/347268532.db2.gz NFKKKXLICUUHHD-SECBINFHSA-N 1 0 203.289 2.466 40 0 BEABRO Cc1cccc([C@H]2CCCN2CC[NH3+])c1 ZINC000032553277 179204072 /nfs/dbraw/zinc/20/40/72/179204072.db2.gz XNAJNSLEVJKKIS-CYBMUJFWSA-N 1 0 204.317 2.091 40 0 BEABRO Cc1ccccc1-c1cnn(CCC[NH3+])c1 ZINC000049815876 179237157 /nfs/dbraw/zinc/23/71/57/179237157.db2.gz INPRBYVQZMZMBI-UHFFFAOYSA-N 1 0 215.300 2.207 40 0 BEABRO Cc1ccccc1-c1nnc([C@H]([NH3+])C(C)C)[nH]1 ZINC000095534764 179238005 /nfs/dbraw/zinc/23/80/05/179238005.db2.gz DJTCDCZTZNLVCQ-LLVKDONJSA-N 1 0 230.315 2.436 40 0 BEABRO CC(C)[C@@H]([NH3+])CN1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036810208 347775954 /nfs/dbraw/zinc/77/59/54/347775954.db2.gz SNFUJVJQOTZTSH-MJBXVCDLSA-N 1 0 224.392 2.482 40 0 BEABRO Cc1ccccc1NC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000082320754 179301884 /nfs/dbraw/zinc/30/18/84/179301884.db2.gz LXAXRHOIOFKQQS-LBPRGKRZSA-N 1 0 232.327 2.275 40 0 BEABRO C[C@@H]([NH3+])[C@H]1C[C@@H]1c1ccc2c(c1)CCO2 ZINC000037362457 348357010 /nfs/dbraw/zinc/35/70/10/348357010.db2.gz ATVUCOFCESBIAI-GGZOMVNGSA-N 1 0 203.285 2.072 40 0 BEABRO c1cc([C@H]2CCC[N@H+]2C2CCCC2)n[nH]1 ZINC000205701322 348577766 /nfs/dbraw/zinc/57/77/66/348577766.db2.gz WFLZJWBFVGUTPQ-GFCCVEGCSA-N 1 0 205.305 2.489 40 0 BEABRO CC(C)[N@@H+]1CCCC[C@H]1c1cc(CCO)on1 ZINC000205700396 348577866 /nfs/dbraw/zinc/57/78/66/348577866.db2.gz FWWLZOMDFQOGFL-ZDUSSCGKSA-N 1 0 238.331 2.145 40 0 BEABRO [NH3+][C@H]1CCCN(Cc2cccc(F)c2Cl)C1 ZINC000038539561 348702673 /nfs/dbraw/zinc/70/26/73/348702673.db2.gz VEYUAVGCCMNBMI-JTQLQIEISA-N 1 0 242.725 2.402 40 0 BEABRO Cc1cc(CN2CCC[C@@H]([NH3+])C2)ccc1F ZINC000038539680 348703915 /nfs/dbraw/zinc/70/39/15/348703915.db2.gz HDIWYVCWVYRCPF-GFCCVEGCSA-N 1 0 222.307 2.057 40 0 BEABRO CCC(C)(C)[NH2+]Cc1cnc(SC)nc1 ZINC000062717256 259406520 /nfs/dbraw/zinc/40/65/20/259406520.db2.gz HIWOOEQFYGAGSZ-UHFFFAOYSA-N 1 0 225.361 2.477 40 0 BEABRO CCN(CC)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000022172296 349272494 /nfs/dbraw/zinc/27/24/94/349272494.db2.gz RSVDJBPUBHVGLL-LBPRGKRZSA-N 1 0 210.296 2.167 40 0 BEABRO c1csc(-c2cnc3n2CC[C@]32CC[NH2+]C2)c1 ZINC000306125227 538043023 /nfs/dbraw/zinc/04/30/23/538043023.db2.gz CJXZLONDONGPAP-ZDUSSCGKSA-N 1 0 245.351 2.246 40 0 BEABRO Cc1nccn1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000072356938 180267924 /nfs/dbraw/zinc/26/79/24/180267924.db2.gz NTJDMPPNAHKLDL-ZDUSSCGKSA-N 1 0 221.348 2.312 40 0 BEABRO COc1ccc([C@H](C[NH3+])N2CCC[C@@H](C)C2)cc1 ZINC000038827599 350323663 /nfs/dbraw/zinc/32/36/63/350323663.db2.gz JQNIKZXOVAYJTM-DOMZBBRYSA-N 1 0 248.370 2.427 40 0 BEABRO Cc1ncsc1C[N@H+]1C[C@@H]2C[C@@H](C)O[C@@H]2C1 ZINC000096045742 180318537 /nfs/dbraw/zinc/31/85/37/180318537.db2.gz PXIQIYUNNIWEQS-DVVUODLYSA-N 1 0 238.356 2.061 40 0 BEABRO Cc1nn(C)c(F)c1C[NH2+]CCc1ccccc1 ZINC000256051918 180351913 /nfs/dbraw/zinc/35/19/13/180351913.db2.gz LBNWNNXSLZEKQP-UHFFFAOYSA-N 1 0 247.317 2.200 40 0 BEABRO COc1c(F)cccc1[C@@H]1CCC[NH2+]C1 ZINC000038539445 362965684 /nfs/dbraw/zinc/96/56/84/362965684.db2.gz UGMQCTMESSKVFR-SECBINFHSA-N 1 0 209.264 2.301 40 0 BEABRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccs1 ZINC000054603210 350752153 /nfs/dbraw/zinc/75/21/53/350752153.db2.gz PCADUFLDCLIHFR-AOOOYVTPSA-N 1 0 221.325 2.444 40 0 BEABRO Cc1ccc(CN2CCCC[C@@H]2C[NH3+])s1 ZINC000044539820 352354444 /nfs/dbraw/zinc/35/44/44/352354444.db2.gz ORCMBXHNCCIXRO-LLVKDONJSA-N 1 0 224.373 2.370 40 0 BEABRO CC(C)CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000020224315 363184710 /nfs/dbraw/zinc/18/47/10/363184710.db2.gz KNQIROZBVGPMHC-UHFFFAOYSA-N 1 0 206.289 2.130 40 0 BEABRO [NH3+]CCCNc1ccc(C(F)(F)F)cc1 ZINC000052945677 353137665 /nfs/dbraw/zinc/13/76/65/353137665.db2.gz CRGGDQSMXBQQDP-UHFFFAOYSA-N 1 0 218.222 2.466 40 0 BEABRO Cc1nccc(C2C[NH+](C3CCCC3)C2)n1 ZINC000257287297 188193598 /nfs/dbraw/zinc/19/35/98/188193598.db2.gz PPJAWZKIDMETQY-UHFFFAOYSA-N 1 0 217.316 2.127 40 0 BEABRO CC(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000205909213 188178694 /nfs/dbraw/zinc/17/86/94/188178694.db2.gz SLONORZYJRMZBV-UHFFFAOYSA-N 1 0 246.354 2.309 40 0 BEABRO C=CC(=O)OC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000034236928 188182184 /nfs/dbraw/zinc/18/21/84/188182184.db2.gz BUFCQVRLKYIQJP-UHFFFAOYSA-N 1 0 211.305 2.025 40 0 BEABRO Fc1ccc2[nH]cc([C@H]3CC[NH2+]C3)c2c1 ZINC000013806191 180984696 /nfs/dbraw/zinc/98/46/96/180984696.db2.gz ZWQBLJKCRPTUSP-QMMMGPOBSA-N 1 0 204.248 2.384 40 0 BEABRO CC(C)(C)c1cnc(C2CC[NH2+]CC2)o1 ZINC000040543232 188475010 /nfs/dbraw/zinc/47/50/10/188475010.db2.gz GEFFUXRYLHOACO-UHFFFAOYSA-N 1 0 208.305 2.439 40 0 BEABRO Fc1cccc(COC[C@H]2CCC[NH2+]2)c1 ZINC000051816230 180998041 /nfs/dbraw/zinc/99/80/41/180998041.db2.gz KOZVQIGMQPYXST-GFCCVEGCSA-N 1 0 209.264 2.094 40 0 BEABRO NC(=[NH2+])COc1c(Cl)cccc1Cl ZINC000057840603 181186351 /nfs/dbraw/zinc/18/63/51/181186351.db2.gz CQZOJGXUJKRJOX-UHFFFAOYSA-N 1 0 219.071 2.308 40 0 BEABRO [NH2+]=C1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000067665152 181206945 /nfs/dbraw/zinc/20/69/45/181206945.db2.gz WSOQYLMWXICZSL-UHFFFAOYSA-N 1 0 224.263 2.491 40 0 in-vitro BEABRO [NH3+][C@@H](CC(=O)N1CCCCCC1)c1ccccc1 ZINC000019506886 356730829 /nfs/dbraw/zinc/73/08/29/356730829.db2.gz WPRJDNWVJHFNKE-AWEZNQCLSA-N 1 0 246.354 2.479 40 0 BEABRO [NH3+]CCCNc1cccc(C(F)(F)F)c1 ZINC000053712852 357157212 /nfs/dbraw/zinc/15/72/12/357157212.db2.gz HUYFCKLROMLURG-UHFFFAOYSA-N 1 0 218.222 2.466 40 0 BEABRO CCCC[C@@H](CC)C[N@@H+]1CCNC[C@H]1C ZINC000134850841 358808779 /nfs/dbraw/zinc/80/87/79/358808779.db2.gz CTEYDSHQPCHLCV-CHWSQXEVSA-N 1 0 212.381 2.497 40 0 BEABRO CC(=O)c1cc[n+](Cc2ccccc2)cc1 ZINC000006614894 360535391 /nfs/dbraw/zinc/53/53/91/360535391.db2.gz WFUVIEFBHZGVIE-UHFFFAOYSA-N 1 0 212.272 2.225 40 0 BEABRO CC[C@H]([NH2+]C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072207648 259523683 /nfs/dbraw/zinc/52/36/83/259523683.db2.gz WWMPDIOQYHCOOR-QWRGUYRKSA-N 1 0 242.363 2.384 40 0 BEABRO [NH3+]C1(c2cc(C(F)(F)F)ccn2)CC1 ZINC000091691821 181334158 /nfs/dbraw/zinc/33/41/58/181334158.db2.gz ROWUMZFJRTUADK-UHFFFAOYSA-N 1 0 202.179 2.048 40 0 BEABRO [NH3+]C1(c2ccccc2Cl)CCOCC1 ZINC000044269642 181335552 /nfs/dbraw/zinc/33/55/52/181335552.db2.gz CNNHZURIQGQQKW-UHFFFAOYSA-N 1 0 211.692 2.304 40 0 BEABRO [NH3+]C1(c2cccc(Cl)c2)CCOCC1 ZINC000011884435 181335681 /nfs/dbraw/zinc/33/56/81/181335681.db2.gz BELRTRXRWJZROM-UHFFFAOYSA-N 1 0 211.692 2.304 40 0 BEABRO [NH3+]C1(c2cccc(C(F)(F)F)n2)CC1 ZINC000091691819 181334682 /nfs/dbraw/zinc/33/46/82/181334682.db2.gz QAFABCRJBVXFFJ-UHFFFAOYSA-N 1 0 202.179 2.048 40 0 BEABRO c1cnc(NC2CC2)c(C2=[NH+]CCC2)c1 ZINC000072213699 259527206 /nfs/dbraw/zinc/52/72/06/259527206.db2.gz PMUZTZOAQHPNFP-UHFFFAOYSA-N 1 0 201.273 2.239 40 0 BEABRO Cc1cc(=S)[nH]cc1[C@@H]1CCCC[NH2+]1 ZINC000072218332 259527292 /nfs/dbraw/zinc/52/72/92/259527292.db2.gz SSHOVWDIQCNZTL-JTQLQIEISA-N 1 0 208.330 2.493 40 0 BEABRO c1cnc(N2CCCC2)c(C2=[NH+]CCC2)c1 ZINC000072215963 259528171 /nfs/dbraw/zinc/52/81/71/259528171.db2.gz DKTGJZHGTJMQTJ-UHFFFAOYSA-N 1 0 215.300 2.265 40 0 BEABRO [NH3+]C1CCN(Cc2ccc(Cl)c(F)c2)CC1 ZINC000038539729 181345152 /nfs/dbraw/zinc/34/51/52/181345152.db2.gz CXKKVJJTIBWSSG-UHFFFAOYSA-N 1 0 242.725 2.402 40 0 BEABRO [NH3+]CC1(Cc2ccccc2F)CCOCC1 ZINC000061673919 181360834 /nfs/dbraw/zinc/36/08/34/181360834.db2.gz LUWCDAKJCYXUKG-UHFFFAOYSA-N 1 0 223.291 2.124 40 0 BEABRO CC[C@@H]([NH3+])c1cnc(N2CCCC2)c(C)c1 ZINC000072222443 259531559 /nfs/dbraw/zinc/53/15/59/259531559.db2.gz MBXCDFKETHOOFO-GFCCVEGCSA-N 1 0 219.332 2.400 40 0 BEABRO [NH3+]CC1(c2ccc(OC(F)F)cc2)CC1 ZINC000020429505 181363102 /nfs/dbraw/zinc/36/31/02/181363102.db2.gz PEJPDAMPXPCHPU-UHFFFAOYSA-N 1 0 213.227 2.278 40 0 BEABRO [NH3+]CC1(c2nc3ccccc3s2)CC1 ZINC000082380135 181364303 /nfs/dbraw/zinc/36/43/03/181364303.db2.gz DWXFPOLZRHQMIS-UHFFFAOYSA-N 1 0 204.298 2.287 40 0 BEABRO [NH3+]CCCn1ncc2c1cccc2Cl ZINC000057341415 181389620 /nfs/dbraw/zinc/38/96/20/181389620.db2.gz XAAFPSHQWBLVKO-UHFFFAOYSA-N 1 0 209.680 2.039 40 0 BEABRO [NH3+]CCN(Cc1ccccc1Cl)C1CC1 ZINC000032014908 181391012 /nfs/dbraw/zinc/39/10/12/181391012.db2.gz REBUXQWOEZJVGE-UHFFFAOYSA-N 1 0 224.735 2.263 40 0 BEABRO [NH3+]CCNCc1ccc(Cl)cc1Cl ZINC000019366244 181397003 /nfs/dbraw/zinc/39/70/03/181397003.db2.gz SVWLNEWGIBUSGD-UHFFFAOYSA-N 1 0 219.115 2.042 40 0 BEABRO CC(=O)O[C@H]1C[N@@H+]2CC[C@@H]1[C@@H](c1ccccc1)C2 ZINC000006720777 368122711 /nfs/dbraw/zinc/12/27/11/368122711.db2.gz HZJHUAKXMXQRMD-KFWWJZLASA-N 1 0 245.322 2.037 40 0 BEABRO Cc1c[nH]c([C@H]2CC[N@H+](Cc3cccnc3)C2)n1 ZINC000205688655 368358096 /nfs/dbraw/zinc/35/80/96/368358096.db2.gz FJJJJDCTLXNOIO-ZDUSSCGKSA-N 1 0 242.326 2.103 40 0 BEABRO CNc1nc([C@@]2(C)CCC[NH2+]C2)cn2cccc12 ZINC000205694440 368358519 /nfs/dbraw/zinc/35/85/19/368358519.db2.gz AOIYOUVHDIUUAD-AWEZNQCLSA-N 1 0 244.342 2.017 40 0 BEABRO CCN(C(C)=O)[C@H]1C[N@H+](C)C2(C1)CCCCC2 ZINC000205699787 368359390 /nfs/dbraw/zinc/35/93/90/368359390.db2.gz ZQRFNCHVCNWMJA-CYBMUJFWSA-N 1 0 238.375 2.262 40 0 BEABRO c1nc(N2CCCCCC2)cnc1[C@H]1CCC[NH2+]1 ZINC000205698325 368359747 /nfs/dbraw/zinc/35/97/47/368359747.db2.gz NBWBXIWKZORHGO-GFCCVEGCSA-N 1 0 246.358 2.282 40 0 BEABRO [NH3+]C[C@]1(CO)C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000062713763 181469178 /nfs/dbraw/zinc/46/91/78/181469178.db2.gz VNCYDWKHUUKZGP-QWRGUYRKSA-N 1 0 246.137 2.418 40 0 BEABRO COc1ccc([C@@H](C[NH3+])N2CCC[C@H](C)C2)cc1 ZINC000108349911 369389643 /nfs/dbraw/zinc/38/96/43/369389643.db2.gz JQNIKZXOVAYJTM-SWLSCSKDSA-N 1 0 248.370 2.427 40 0 BEABRO COc1ccc(CN2CC[NH2+][C@H]3CCC[C@@H]32)cc1 ZINC000225715707 259540673 /nfs/dbraw/zinc/54/06/73/259540673.db2.gz PUTBBWFXENCFPK-GJZGRUSLSA-N 1 0 246.354 2.022 40 0 BEABRO CC(=O)c1cccc[n+]1Cc1ccccc1 ZINC000060227740 369467241 /nfs/dbraw/zinc/46/72/41/369467241.db2.gz AJQLKUTXBDYBDT-UHFFFAOYSA-N 1 0 212.272 2.225 40 0 BEABRO CC[NH+](CC)C[C@@H](N)c1ccc(C)cc1 ZINC000019821190 371193025 /nfs/dbraw/zinc/19/30/25/371193025.db2.gz SNVZAIYZNMGLPC-CYBMUJFWSA-N 1 0 206.333 2.337 40 0 BEABRO [NH3+][C@@H]1CCCN(Cc2c(F)cccc2Cl)C1 ZINC000038539946 181579555 /nfs/dbraw/zinc/57/95/55/181579555.db2.gz YALCFCBAGHMZIK-SECBINFHSA-N 1 0 242.725 2.402 40 0 BEABRO [NH3+][C@@H]1CCC[C@H]1Nc1ccc(F)c(F)c1 ZINC000218884915 181584995 /nfs/dbraw/zinc/58/49/95/181584995.db2.gz SGLYJMFKFVWGQM-GHMZBOCLSA-N 1 0 212.243 2.257 40 0 BEABRO [NH3+][C@H]1CCC[C@H]1Nc1cc(F)cc(F)c1 ZINC000218883694 181648595 /nfs/dbraw/zinc/64/85/95/181648595.db2.gz JTSPYXFCIXDUNO-WDEREUQCSA-N 1 0 212.243 2.257 40 0 BEABRO Nc1ccc(C23CC[NH+](CC2)CC3)cc1 ZINC000071485326 181703332 /nfs/dbraw/zinc/70/33/32/181703332.db2.gz LOXGPUNLCBCZGB-UHFFFAOYSA-N 1 0 202.301 2.006 40 0 BEABRO Nc1ccc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000096311685 181703827 /nfs/dbraw/zinc/70/38/27/181703827.db2.gz ILVIJXPNZJGUTI-VGPLMAKISA-N 1 0 202.301 2.267 40 0 BEABRO C[C@@H]1C[C@H]2[C@@H](C[C@@H](C(F)(F)F)C[C@@H]2C[NH3+])O1 ZINC000225761828 371574373 /nfs/dbraw/zinc/57/43/73/371574373.db2.gz FWJZILYJODZJNY-HOTMZDKISA-N 1 0 237.265 2.327 40 0 BEABRO CC(C)(C)[NH2+]C[C@@H]1CO[C@@H](c2ccccc2)O1 ZINC000003010047 371838413 /nfs/dbraw/zinc/83/84/13/371838413.db2.gz IWFPJSASCSZFCH-CHWSQXEVSA-N 1 0 235.327 2.489 40 0 BEABRO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC000242548225 372208935 /nfs/dbraw/zinc/20/89/35/372208935.db2.gz LDYXEQLMMZDMQB-DABQJJPHSA-N 1 0 219.328 2.420 40 0 BEABRO O=Cc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000008731477 182868725 /nfs/dbraw/zinc/86/87/25/182868725.db2.gz JCSYPJCZYHQVKN-UHFFFAOYSA-N 1 0 233.311 2.364 40 0 BEABRO OCC[N@H+](Cc1cccc(Cl)c1)C1CC1 ZINC000048065322 183069785 /nfs/dbraw/zinc/06/97/85/183069785.db2.gz UYVBNTBLNBUAFX-UHFFFAOYSA-N 1 0 225.719 2.297 40 0 BEABRO OCC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000001754732 183076306 /nfs/dbraw/zinc/07/63/06/183076306.db2.gz HYLVMNWMJQOJTA-UHFFFAOYSA-N 1 0 225.291 2.338 40 0 BEABRO OC[C@H]1CC[C@H]([NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000104314161 183124343 /nfs/dbraw/zinc/12/43/43/183124343.db2.gz FAJYJMBNNQFHDB-MCIONIFRSA-N 1 0 223.360 2.483 40 0 BEABRO OC[C@H]1CCCCC[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000097371007 183147205 /nfs/dbraw/zinc/14/72/05/183147205.db2.gz XONVDBHBIGNZGZ-JHJVBQTASA-N 1 0 243.416 2.413 40 0 BEABRO O[C@@H](CC[NH+]1CCCC1)c1ccccc1 ZINC000039234105 183173503 /nfs/dbraw/zinc/17/35/03/183173503.db2.gz OXWWUXGRBQMMFI-ZDUSSCGKSA-N 1 0 205.301 2.206 40 0 BEABRO O[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)nc2)CC1 ZINC000100173924 183201842 /nfs/dbraw/zinc/20/18/42/183201842.db2.gz ZZOVELABKXLUOC-PHIMTYICSA-N 1 0 240.734 2.128 40 0 BEABRO O[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000004202942 183193633 /nfs/dbraw/zinc/19/36/33/183193633.db2.gz DIIHLEFTHZLGSR-CYBMUJFWSA-N 1 0 205.301 2.033 40 0 BEABRO O[C@@]1(c2ccc(F)cc2)CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC000013997957 183218190 /nfs/dbraw/zinc/21/81/90/183218190.db2.gz KADNKMBDWLQVRJ-DDTOSNHZSA-N 1 0 235.302 2.033 40 0 BEABRO O[C@@H]1[C@@H]2CCC[C@H]1[C@H]([NH+]1CCCC1)CC2 ZINC000004044748 183249520 /nfs/dbraw/zinc/24/95/20/183249520.db2.gz KEVUJQHBGRUWPR-YVECIDJPSA-N 1 0 209.333 2.022 40 0 BEABRO c1cc(-c2ccc(CC3CC[NH2+]CC3)cn2)n[nH]1 ZINC000257293184 183329389 /nfs/dbraw/zinc/32/93/89/183329389.db2.gz QOLSDGFQLKNXAZ-UHFFFAOYSA-N 1 0 242.326 2.014 40 0 BEABRO c1cc(-c2nnc([C@@H]3CCC[NH2+]3)o2)cs1 ZINC000039956194 183332025 /nfs/dbraw/zinc/33/20/25/183332025.db2.gz IOVJLPYQJBAEOE-QMMMGPOBSA-N 1 0 221.285 2.223 40 0 BEABRO c1cc2cc(C[NH2+]C[C@@H]3CCCO3)ccc2[nH]1 ZINC000015424191 183374244 /nfs/dbraw/zinc/37/42/44/183374244.db2.gz LWRYQDACORKGRQ-ZDUSSCGKSA-N 1 0 230.311 2.437 40 0 BEABRO c1cc2cc(CC3CC[NH2+]CC3)cnc2[nH]1 ZINC000072387232 183374887 /nfs/dbraw/zinc/37/48/87/183374887.db2.gz ARNAFBMGFKDINB-UHFFFAOYSA-N 1 0 215.300 2.105 40 0 BEABRO c1cc2cc(C[NH2+]C[C@H]3CCCO3)ccc2[nH]1 ZINC000015424190 183374896 /nfs/dbraw/zinc/37/48/96/183374896.db2.gz LWRYQDACORKGRQ-CYBMUJFWSA-N 1 0 230.311 2.437 40 0 BEABRO c1cc([C@@H]2CCC[N@@H+](Cc3cncs3)C2)n[nH]1 ZINC000121187157 183360471 /nfs/dbraw/zinc/36/04/71/183360471.db2.gz NDGZPNSUNNAHRK-SNVBAGLBSA-N 1 0 248.355 2.246 40 0 BEABRO c1nc([C@@H]2CCCC[NH2+]2)n(-c2ccccc2)n1 ZINC000096524336 183387666 /nfs/dbraw/zinc/38/76/66/183387666.db2.gz HTDZCXQQSNLQTG-LBPRGKRZSA-N 1 0 228.299 2.082 40 0 BEABRO CCC[NH2+]Cc1cc(OC)c(OC)c(OC)c1 ZINC000007262332 169266830 /nfs/dbraw/zinc/26/68/30/169266830.db2.gz ZNVLWPUGBQXVNJ-UHFFFAOYSA-N 1 0 239.315 2.212 40 0 BEABRO CCC[NH2+]Cc1ccc(O)c(OCC)c1 ZINC000019483925 169266960 /nfs/dbraw/zinc/26/69/60/169266960.db2.gz OADHKDYLNSGGQY-UHFFFAOYSA-N 1 0 209.289 2.291 40 0 BEABRO c1ccc(CN2CCC[C@@H]([NH2+]C3CC3)C2)cc1 ZINC000036904500 183398398 /nfs/dbraw/zinc/39/83/98/183398398.db2.gz KSJRWDWIFHZRLF-OAHLLOKOSA-N 1 0 230.355 2.403 40 0 BEABRO CCC[C@H](C(=O)OC)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000022538685 169468851 /nfs/dbraw/zinc/46/88/51/169468851.db2.gz NPBBRGNFLTWNPV-IJLUTSLNSA-N 1 0 227.348 2.306 40 0 BEABRO c1ccc(CN2CC[C@@H]([NH2+]C3CC3)C2)cc1 ZINC000034973312 383820954 /nfs/dbraw/zinc/82/09/54/383820954.db2.gz HTTXVNRPINIIHA-CQSZACIVSA-N 1 0 216.328 2.013 40 0 BEABRO Cc1ccc(C(=O)CC[NH+](C)C)c(C)c1 ZINC000001591168 383909541 /nfs/dbraw/zinc/90/95/41/383909541.db2.gz JQXIFTSJWSBJSP-UHFFFAOYSA-N 1 0 205.301 2.438 40 0 BEABRO [NH3+]C[C@@H](O)c1ccc(OCc2ccccc2)cc1 ZINC000001614711 383912818 /nfs/dbraw/zinc/91/28/18/383912818.db2.gz YZOUUVUNKGUDSK-OAHLLOKOSA-N 1 0 243.306 2.258 40 0 in-vitro BEABRO CCC[C@@H](O)C[NH2+]Cc1ccc2ncccc2c1 ZINC000001683601 383922975 /nfs/dbraw/zinc/92/29/75/383922975.db2.gz KURJUJBBDDPEKM-CQSZACIVSA-N 1 0 244.338 2.485 40 0 BEABRO [NH3+]C[C@H](c1c[nH]c2ncccc12)C(F)(F)F ZINC000022170832 383990859 /nfs/dbraw/zinc/99/08/59/383990859.db2.gz FCUGDENPKOENIB-MRVPVSSYSA-N 1 0 229.205 2.168 40 0 BEABRO [NH3+]Cc1ccc(-c2ccc(F)cc2)nc1 ZINC000089263246 383957687 /nfs/dbraw/zinc/95/76/87/383957687.db2.gz JISNHEADXUWWRB-UHFFFAOYSA-N 1 0 202.232 2.346 40 0 BEABRO C[C@H]([NH3+])COCc1ccc(OC(F)F)cc1 ZINC000089263508 383957766 /nfs/dbraw/zinc/95/77/66/383957766.db2.gz KFHISSGQOPRACM-QMMMGPOBSA-N 1 0 231.242 2.152 40 0 BEABRO CC(=O)Oc1cccc2[nH]cc(CC[NH+](C)C)c21 ZINC000002539028 383973376 /nfs/dbraw/zinc/97/33/76/383973376.db2.gz RTLRUOSYLFOFHV-UHFFFAOYSA-N 1 0 246.310 2.197 40 0 in-vitro BEABRO [NH3+][C@H](c1ccccc1F)C1CCOCC1 ZINC000068957848 384025165 /nfs/dbraw/zinc/02/51/65/384025165.db2.gz DGANXADFCBHYRG-LBPRGKRZSA-N 1 0 209.264 2.252 40 0 BEABRO CCOC(=O)CC1([NH+]2CCCC2)CCCC1 ZINC000070823482 384041740 /nfs/dbraw/zinc/04/17/40/384041740.db2.gz KWRHKGKSNCLLMV-UHFFFAOYSA-N 1 0 225.332 2.348 40 0 BEABRO CN(CCO)Cc1cccc(Cl)c1Cl ZINC000077253461 384065322 /nfs/dbraw/zinc/06/53/22/384065322.db2.gz HVASHYFLWWGFOL-UHFFFAOYSA-N 1 0 234.126 2.418 40 0 BEABRO CCN(C[C@H]1CCC[NH2+]C1)C(=O)OC(C)(C)C ZINC000079437608 384147124 /nfs/dbraw/zinc/14/71/24/384147124.db2.gz LXQBAFPDAGXQOB-NSHDSACASA-N 1 0 242.363 2.243 40 0 BEABRO C[NH+](C)CC[C@@H](O)c1ccc(Cl)cc1 ZINC000006437083 384152702 /nfs/dbraw/zinc/15/27/02/384152702.db2.gz GXYMVYGPHADUNW-LLVKDONJSA-N 1 0 213.708 2.325 40 0 BEABRO c1nc2ccccc2n1C[C@H]1CCCC[NH2+]1 ZINC000043494233 384189760 /nfs/dbraw/zinc/18/97/60/384189760.db2.gz SNCQCPPARHBKAC-LLVKDONJSA-N 1 0 215.300 2.178 40 0 BEABRO Cn1nccc1CC1CC[NH+](CC2CC2)CC1 ZINC000072350814 384211934 /nfs/dbraw/zinc/21/19/34/384211934.db2.gz KIFWXFCMNBWFOA-UHFFFAOYSA-N 1 0 233.359 2.085 40 0 BEABRO c1ccc([C@H]2CCC[N@H+](C3CCOCC3)C2)nc1 ZINC000072381929 384218068 /nfs/dbraw/zinc/21/80/68/384218068.db2.gz AYRWFNVHGWTQKB-ZDUSSCGKSA-N 1 0 246.354 2.440 40 0 BEABRO CC(C)[N@@H+]1CCO[C@@H](c2cc3cccnc3[nH]2)C1 ZINC000072381401 384218103 /nfs/dbraw/zinc/21/81/03/384218103.db2.gz IYDIYSWPPOSSOL-CYBMUJFWSA-N 1 0 245.326 2.345 40 0 BEABRO Cc1nc(N)cc([C@@H]2CC[N@@H+]2C2CCCCC2)n1 ZINC000072387469 384220445 /nfs/dbraw/zinc/22/04/45/384220445.db2.gz FCRFAHAOBQUKQG-ZDUSSCGKSA-N 1 0 246.358 2.447 40 0 BEABRO Cc1ccccc1OC[C@@H](O)C[NH2+]C(C)(C)C ZINC000016758588 384327090 /nfs/dbraw/zinc/32/70/90/384327090.db2.gz BJOVXRRJZMTSML-LBPRGKRZSA-N 1 0 237.343 2.123 40 0 BEABRO Nc1ccc([C@@H](C[NH3+])c2ccccc2)cc1 ZINC000001597903 384408363 /nfs/dbraw/zinc/40/83/63/384408363.db2.gz XVFGZOOKEXYXKC-AWEZNQCLSA-N 1 0 212.296 2.359 40 0 BEABRO C[NH2+][C@@H](C)C(=O)c1cccc(Br)c1 ZINC000013985172 384380196 /nfs/dbraw/zinc/38/01/96/384380196.db2.gz PXLYROINIXKFAW-ZETCQYMHSA-N 1 0 242.116 2.240 40 0 in-vitro BEABRO C[NH+](C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000095496331 384380865 /nfs/dbraw/zinc/38/08/65/384380865.db2.gz BAKQGMLJAGYMQC-UHFFFAOYSA-N 1 0 242.363 2.384 40 0 BEABRO c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1[C@H]2OCC1CC1 ZINC000096251687 384445877 /nfs/dbraw/zinc/44/58/77/384445877.db2.gz XQSKRQAHFNXIQR-KKUMJFAQSA-N 1 0 229.323 2.471 40 0 BEABRO [NH3+][C@]12C[C@H]1CN(Cc1ccc(Cl)c(F)c1)C2 ZINC000096054892 384429043 /nfs/dbraw/zinc/42/90/43/384429043.db2.gz XHWADQIBDOKNPJ-CABZTGNLSA-N 1 0 240.709 2.012 40 0 BEABRO Cc1ccc2c(c1)CCC21CC[NH+](CCO)CC1 ZINC000096100171 384434445 /nfs/dbraw/zinc/43/44/45/384434445.db2.gz WLSQHFZADRFWHV-UHFFFAOYSA-N 1 0 245.366 2.267 40 0 BEABRO CO[C@@](C[NH3+])(c1ccccc1)C(F)(F)F ZINC000044236400 384436348 /nfs/dbraw/zinc/43/63/48/384436348.db2.gz OMZTYGQMHOTWRA-VIFPVBQESA-N 1 0 219.206 2.049 40 0 BEABRO CN(CCO)Cc1cc(Cl)ccc1Cl ZINC000079420124 384495456 /nfs/dbraw/zinc/49/54/56/384495456.db2.gz ZVBAJKQACDQQEJ-UHFFFAOYSA-N 1 0 234.126 2.418 40 0 BEABRO CN(c1nc2ccccc2o1)[C@@H]1CCC[NH2+]C1 ZINC000079440534 384496644 /nfs/dbraw/zinc/49/66/44/384496644.db2.gz OSVSBLNEJFKFOZ-SNVBAGLBSA-N 1 0 231.299 2.016 40 0 BEABRO Cn1cc(-c2ccccc2Cl)[nH+]c1N ZINC000199559915 384523722 /nfs/dbraw/zinc/52/37/22/384523722.db2.gz XFIVAGWPUFUFOO-UHFFFAOYSA-N 1 0 207.664 2.323 40 0 BEABRO FC(F)(F)c1ccc(NC2CC[NH2+]CC2)nc1 ZINC000019473766 384524505 /nfs/dbraw/zinc/52/45/05/384524505.db2.gz SOMYHXRJSAEQBL-UHFFFAOYSA-N 1 0 245.248 2.264 40 0 BEABRO CN(C)[C@@](C)(C[NH3+])c1ccccc1Cl ZINC000070453417 384563112 /nfs/dbraw/zinc/56/31/12/384563112.db2.gz NGVWOVMILZLGDI-NSHDSACASA-N 1 0 212.724 2.076 40 0 BEABRO CC[N@H+](CCO)Cc1ccc(SC)cc1 ZINC000049754591 384564852 /nfs/dbraw/zinc/56/48/52/384564852.db2.gz PYUIDBCBJJDMQL-UHFFFAOYSA-N 1 0 225.357 2.223 40 0 BEABRO C[NH2+][C@@H](C)C[C@]12C[C@H]3C[C@H](C[C@](O)(C3)C1)C2 ZINC000100262208 384627866 /nfs/dbraw/zinc/62/78/66/384627866.db2.gz STEFEEAVJHCPMZ-HPCHECBXSA-N 1 0 223.360 2.316 40 0 BEABRO CCCCn1nc(C[NH3+])c2ccccc21 ZINC000070630846 384600569 /nfs/dbraw/zinc/60/05/69/384600569.db2.gz LBKWZCXLRFRHOJ-UHFFFAOYSA-N 1 0 203.289 2.295 40 0 BEABRO Cc1[nH+]c(-c2ccc(F)cc2)c(N)n1C ZINC000100761179 384654354 /nfs/dbraw/zinc/65/43/54/384654354.db2.gz SEYIRBHFGKGOFS-UHFFFAOYSA-N 1 0 205.236 2.117 40 0 BEABRO C[C@@H]([NH3+])COCc1ccc(Br)cc1 ZINC000082551205 384690742 /nfs/dbraw/zinc/69/07/42/384690742.db2.gz XVJOTGRMLPRKQA-MRVPVSSYSA-N 1 0 244.132 2.313 40 0 BEABRO CC(C)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000084400579 384700063 /nfs/dbraw/zinc/70/00/63/384700063.db2.gz JKKGYJZRDNQMOF-AWEZNQCLSA-N 1 0 219.328 2.279 40 0 BEABRO CCCC[NH+](CCCC)Cc1cc(N)nn1C ZINC000408717186 384704820 /nfs/dbraw/zinc/70/48/20/384704820.db2.gz WQXDQOAFTUWHOW-UHFFFAOYSA-N 1 0 238.379 2.235 40 0 BEABRO C1=CC2=CC=C[C@H](CC3=[NH+]CCN3)[C@H]2C=C1 ZINC000021983101 384716414 /nfs/dbraw/zinc/71/64/14/384716414.db2.gz ZJSGEQUSOJAXBX-OLZOCXBDSA-N 1 0 212.296 2.233 40 0 BEABRO C[C@H](CC(=O)N1CC[NH2+]C[C@@H]1C)CC(C)(C)C ZINC000054369980 384835805 /nfs/dbraw/zinc/83/58/05/384835805.db2.gz PGEYFXAHUPHRHL-NEPJUHHUSA-N 1 0 240.391 2.269 40 0 BEABRO CCOc1ccc([C@@H]2C[C@@H]2C[NH2+]C)cc1 ZINC000054588786 384840717 /nfs/dbraw/zinc/84/07/17/384840717.db2.gz NIFATAJCKVXGJO-YPMHNXCESA-N 1 0 205.301 2.408 40 0 BEABRO Cc1ccccc1NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000083896461 384922173 /nfs/dbraw/zinc/92/21/73/384922173.db2.gz WOACAQKDPLFSMO-CYBMUJFWSA-N 1 0 232.327 2.466 40 0 BEABRO O=C1[C@@H]2CCC[C@H]1[C@@H]([NH+]1CCCC1)CC2 ZINC000004151634 384927549 /nfs/dbraw/zinc/92/75/49/384927549.db2.gz NCTHTNCTMQAJDU-WOPDTQHZSA-N 1 0 207.317 2.230 40 0 BEABRO FC(F)(F)c1ccc(C[C@@H]2C[NH2+]CCO2)cc1 ZINC000071559589 385051066 /nfs/dbraw/zinc/05/10/66/385051066.db2.gz MQDHOZCYVUDXDY-LLVKDONJSA-N 1 0 245.244 2.236 40 0 BEABRO CCC[N@@H+]1CCC[C@H]1c1cccnc1N ZINC000072212420 385074849 /nfs/dbraw/zinc/07/48/49/385074849.db2.gz IUUKMKSRWHYBGQ-NSHDSACASA-N 1 0 205.305 2.211 40 0 BEABRO O=CN1CCCC[C@@H]1c1ccc(NC2CC2)nc1 ZINC000072213811 385082380 /nfs/dbraw/zinc/08/23/80/385082380.db2.gz ZUGBSDUQVKWXNU-CYBMUJFWSA-N 1 0 245.326 2.339 40 0 BEABRO CCSc1ncc(C[NH2+]C(C)C)cn1 ZINC000062717318 385030674 /nfs/dbraw/zinc/03/06/74/385030674.db2.gz WKTRKTFYHZWBNP-UHFFFAOYSA-N 1 0 211.334 2.087 40 0 BEABRO Cc1cc(NCc2ccccc2)ncc1CO ZINC000072223361 385112295 /nfs/dbraw/zinc/11/22/95/385112295.db2.gz DQFGFBIAQXCCLB-UHFFFAOYSA-N 1 0 228.295 2.494 40 0 BEABRO CC[C@H](O)c1cnc(N2CCCC2)cc1C ZINC000072223475 385113015 /nfs/dbraw/zinc/11/30/15/385113015.db2.gz ZGXRAFQUUUKFJX-LBPRGKRZSA-N 1 0 220.316 2.434 40 0 BEABRO Cc1cc(N2CCCC2)ncc1[C@H](C)O ZINC000072223474 385113449 /nfs/dbraw/zinc/11/34/49/385113449.db2.gz NBMDPWBCLDRSQW-JTQLQIEISA-N 1 0 206.289 2.044 40 0 BEABRO Cc1nc(N)ccc1[C@@H]([NH3+])c1ccccc1 ZINC000072224133 385116776 /nfs/dbraw/zinc/11/67/76/385116776.db2.gz QMSJRVYJNRXZSU-ZDUSSCGKSA-N 1 0 213.284 2.020 40 0 BEABRO Cc1nc(N2CCCC2)ccc1[C@H](C)[NH3+] ZINC000072224524 385118255 /nfs/dbraw/zinc/11/82/55/385118255.db2.gz HLYRKPZWHQMBGA-VIFPVBQESA-N 1 0 205.305 2.010 40 0 BEABRO [NH3+][C@H](c1ccc(F)cc1)C1CCOCC1 ZINC000061671343 385129346 /nfs/dbraw/zinc/12/93/46/385129346.db2.gz YLPBABRLRUVRGD-GFCCVEGCSA-N 1 0 209.264 2.252 40 0 BEABRO Cc1cc([C@@H]2CCCC[NH2+]2)c[nH]c1=S ZINC000072218272 385100227 /nfs/dbraw/zinc/10/02/27/385100227.db2.gz ABGDTIFHQWQPRJ-JTQLQIEISA-N 1 0 208.330 2.493 40 0 BEABRO Cc1cc(=O)[nH]cc1[C@H]1CCCC[N@H+]1C ZINC000072218155 385101595 /nfs/dbraw/zinc/10/15/95/385101595.db2.gz MUMIHOHSBATYJF-LLVKDONJSA-N 1 0 206.289 2.252 40 0 BEABRO CC[N@@H+]1CCC[C@@H]1c1cnc(N)cc1C ZINC000072218491 385102235 /nfs/dbraw/zinc/10/22/35/385102235.db2.gz PDRQJDZEHQMEDT-LLVKDONJSA-N 1 0 205.305 2.129 40 0 BEABRO CNc1ccc(C2=[NH+]CCCC2)c(C)n1 ZINC000072219111 385103200 /nfs/dbraw/zinc/10/32/00/385103200.db2.gz TYLFNTCAJWNGTR-UHFFFAOYSA-N 1 0 203.289 2.405 40 0 BEABRO Cc1cc(N2CCCC2)ncc1[C@H]1CCC[NH2+]1 ZINC000072218843 385103954 /nfs/dbraw/zinc/10/39/54/385103954.db2.gz ULHCFVWKBACDOC-CYBMUJFWSA-N 1 0 231.343 2.415 40 0 BEABRO Cc1nc(N(C)C)ccc1C1=[NH+]CCC1 ZINC000072218721 385105058 /nfs/dbraw/zinc/10/50/58/385105058.db2.gz UMXXSNLCMVSIGE-UHFFFAOYSA-N 1 0 203.289 2.039 40 0 BEABRO CNc1cc(C)c([C@H]2CCC[N@@H+]2C)cn1 ZINC000072219026 385105404 /nfs/dbraw/zinc/10/54/04/385105404.db2.gz KRQZAJVVAQLFEE-LLVKDONJSA-N 1 0 205.305 2.198 40 0 BEABRO CCOc1ccc(CCN2CCC[C@H]([NH3+])C2)cc1 ZINC000057956535 385148719 /nfs/dbraw/zinc/14/87/19/385148719.db2.gz KCHCSZLLVFRWAA-AWEZNQCLSA-N 1 0 248.370 2.051 40 0 BEABRO CCn1cc(C[NH2+]Cc2cc(C)oc2C)cn1 ZINC000085395897 385158369 /nfs/dbraw/zinc/15/83/69/385158369.db2.gz KEXDTVYOLQRRKL-UHFFFAOYSA-N 1 0 233.315 2.403 40 0 BEABRO COC(=O)[C@@](C)(c1ccccc1)[NH+]1CCCC1 ZINC000085393480 385158823 /nfs/dbraw/zinc/15/88/23/385158823.db2.gz URPRBXXQUWMKRX-CQSZACIVSA-N 1 0 233.311 2.171 40 0 BEABRO Cc1ccc([C@H](O)C2(C[NH3+])CC(C)C2)s1 ZINC000085395945 385159846 /nfs/dbraw/zinc/15/98/46/385159846.db2.gz UHOQGWATBWHJQM-HBWJCNCUSA-N 1 0 225.357 2.465 40 0 BEABRO c1ccc([C@@H]2CO[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000306125778 385236712 /nfs/dbraw/zinc/23/67/12/385236712.db2.gz DBXZIYYRNBVLBF-KBPBESRZSA-N 1 0 217.312 2.313 40 0 BEABRO CCc1ccc(NC[C@@H]2C[C@@H]2C[NH3+])cc1 ZINC000096509421 385240689 /nfs/dbraw/zinc/24/06/89/385240689.db2.gz LWWYZGKFDTUAQN-NEPJUHHUSA-N 1 0 204.317 2.256 40 0 BEABRO [NH3+]Cc1cccc2c1CCCN2CC1CC1 ZINC000096510241 385243360 /nfs/dbraw/zinc/24/33/60/385243360.db2.gz PTFYFSIBTFLNFA-UHFFFAOYSA-N 1 0 216.328 2.308 40 0 BEABRO CCCN1CCCc2c(C[NH3+])cccc21 ZINC000096510240 385243722 /nfs/dbraw/zinc/24/37/22/385243722.db2.gz SBCDZYLQGUGXOI-UHFFFAOYSA-N 1 0 204.317 2.308 40 0 BEABRO CN1CCCc2ccc(C[NH2+]C3CC3)cc21 ZINC000096510391 385249579 /nfs/dbraw/zinc/24/95/79/385249579.db2.gz DFGJSYHMSQDCGU-UHFFFAOYSA-N 1 0 216.328 2.321 40 0 BEABRO c1nn(C2CCCCC2)c2c1CC[NH2+]C2 ZINC000096515725 385258488 /nfs/dbraw/zinc/25/84/88/385258488.db2.gz UGTFINWMVYCPDD-UHFFFAOYSA-N 1 0 205.305 2.034 40 0 BEABRO [NH3+][C@@H]1CCCN(Cc2cc(F)ccc2Cl)C1 ZINC000096523536 385266260 /nfs/dbraw/zinc/26/62/60/385266260.db2.gz VYFQPYRYGNABJO-LLVKDONJSA-N 1 0 242.725 2.402 40 0 BEABRO [NH3+][C@@H]1CCCN(CCCC2CCCC2)C1 ZINC000096523561 385267485 /nfs/dbraw/zinc/26/74/85/385267485.db2.gz BDSHWQKGRNAEMW-CYBMUJFWSA-N 1 0 210.365 2.380 40 0 BEABRO CN(C)c1cccc(CN2CCCC[C@@H]2C[NH3+])c1 ZINC000096523578 385268709 /nfs/dbraw/zinc/26/87/09/385268709.db2.gz OLWAAGUGJVBJQX-OAHLLOKOSA-N 1 0 247.386 2.066 40 0 BEABRO Clc1nccnc1Nc1cc[nH+]cc1 ZINC000096530013 385284722 /nfs/dbraw/zinc/28/47/22/385284722.db2.gz MQCXAEVQLRTOSR-UHFFFAOYSA-N 1 0 206.636 2.269 40 0 BEABRO COc1ccc([C@H](C)O[C@H]2CC[NH2+]C2)cc1 ZINC000096529878 385284941 /nfs/dbraw/zinc/28/49/41/385284941.db2.gz LZEIWEBVEJSGNL-GWCFXTLKSA-N 1 0 221.300 2.135 40 0 BEABRO CC(C)Cn1cc([C@@H](O)C[NH3+])c2ccccc21 ZINC000095098372 385490043 /nfs/dbraw/zinc/49/00/43/385490043.db2.gz NHUCWZGNJGYWSZ-AWEZNQCLSA-N 1 0 232.327 2.289 40 0 BEABRO CCc1ccc([C@@H](CO)[NH+]2CCCC2)cc1 ZINC000041232819 385701823 /nfs/dbraw/zinc/70/18/23/385701823.db2.gz RNLYAXLYDFTOIE-CQSZACIVSA-N 1 0 219.328 2.378 40 0 BEABRO CCCCC[NH2+]Cc1cnc(SC)nc1 ZINC000062717217 385713749 /nfs/dbraw/zinc/71/37/49/385713749.db2.gz XFASHJPWLPCNOH-UHFFFAOYSA-N 1 0 225.361 2.478 40 0 BEABRO Cc1noc(C)c1-c1cncc([C@@H]2CCC[NH2+]2)n1 ZINC000257264651 385757301 /nfs/dbraw/zinc/75/73/01/385757301.db2.gz LVLFIALBBHLRND-JTQLQIEISA-N 1 0 244.298 2.173 40 0 BEABRO CN(c1ccccc1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000257270531 385759031 /nfs/dbraw/zinc/75/90/31/385759031.db2.gz MUQHOHPPNYKXCM-CQSZACIVSA-N 1 0 246.354 2.034 40 0 BEABRO Cc1c[nH]c([C@H]2C[N@@H+](C3CCCCC3)CCO2)n1 ZINC000257255379 385759447 /nfs/dbraw/zinc/75/94/47/385759447.db2.gz KHFGQXLMXJXDQN-CYBMUJFWSA-N 1 0 249.358 2.424 40 0 BEABRO Cc1c[nH]c([C@@H]2CCCN(c3cc[nH+]cc3)C2)n1 ZINC000257293008 385761169 /nfs/dbraw/zinc/76/11/69/385761169.db2.gz QNUIBMQJISTPBG-GFCCVEGCSA-N 1 0 242.326 2.497 40 0 BEABRO CCCNc1ncc(C[NH2+][C@@H](C)CC)cn1 ZINC000062717693 385723837 /nfs/dbraw/zinc/72/38/37/385723837.db2.gz XAKWETVANRYRQR-JTQLQIEISA-N 1 0 222.336 2.187 40 0 BEABRO CCCNc1ncc(C[NH2+]C2CCCC2)cn1 ZINC000062717677 385724789 /nfs/dbraw/zinc/72/47/89/385724789.db2.gz AUMLWAYFQNZFPM-UHFFFAOYSA-N 1 0 234.347 2.331 40 0 BEABRO CCC[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000036873531 385823592 /nfs/dbraw/zinc/82/35/92/385823592.db2.gz SCUBACUEIDDAIL-CYBMUJFWSA-N 1 0 206.333 2.246 40 0 BEABRO C[C@@H](CN1CC[NH2+]C[C@H]1C)c1ccccc1 ZINC000083349522 385904749 /nfs/dbraw/zinc/90/47/49/385904749.db2.gz PFCGFSCWLYDURJ-QWHCGFSZSA-N 1 0 218.344 2.084 40 0 BEABRO CCC[C@H](C(=O)OC)[NH+]1CCC(C)CC1 ZINC000022538670 385919312 /nfs/dbraw/zinc/91/93/12/385919312.db2.gz CMYLLXIHNUZJTE-LLVKDONJSA-N 1 0 213.321 2.060 40 0 BEABRO Clc1ccc2c(c1)[C@@]1(CC2)COCC[NH2+]1 ZINC000306145527 385993703 /nfs/dbraw/zinc/99/37/03/385993703.db2.gz HTBJMLQEJQRECZ-GFCCVEGCSA-N 1 0 223.703 2.101 40 0 BEABRO C[C@@H](CC(N)=O)[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000096486255 385964572 /nfs/dbraw/zinc/96/45/72/385964572.db2.gz IBTZBNVEJUCUQT-UHIISALHSA-N 1 0 246.354 2.479 40 0 BEABRO Cc1c(CCCO)sc[n+]1Cc1ccccc1 ZINC000223813844 386102177 /nfs/dbraw/zinc/10/21/77/386102177.db2.gz QBIAADGTQQOJBL-UHFFFAOYSA-N 1 0 248.371 2.317 40 0 BEABRO CO[C@@H](c1nc(C[NH3+])cs1)c1ccccc1 ZINC000072417717 386090236 /nfs/dbraw/zinc/09/02/36/386090236.db2.gz UGCKBASAJDERSO-LLVKDONJSA-N 1 0 234.324 2.338 40 0 BEABRO COCCn1c(C)cc(C[NH2+]CC(C)C)c1C ZINC000223660392 386090978 /nfs/dbraw/zinc/09/09/78/386090978.db2.gz SKRHXWIYPPMSGM-UHFFFAOYSA-N 1 0 238.375 2.497 40 0 BEABRO CC[C@@H](O)C[NH2+]Cc1ccccc1Cl ZINC000037688451 386098854 /nfs/dbraw/zinc/09/88/54/386098854.db2.gz AFNZQPSOTTWIOY-SNVBAGLBSA-N 1 0 213.708 2.201 40 0 BEABRO C[C@H]1CO[C@H]2C[C@@H](C(F)(F)F)C[C@@H](C[NH3+])[C@@H]12 ZINC000225761659 386217422 /nfs/dbraw/zinc/21/74/22/386217422.db2.gz ULMGXBABGMHAEG-BQHMLIOBSA-N 1 0 237.265 2.185 40 0 BEABRO CCCc1ccc(C[NH2+]CCOC)n1CC ZINC000226020906 386233388 /nfs/dbraw/zinc/23/33/88/386233388.db2.gz PMQWBDDLYYFFGM-UHFFFAOYSA-N 1 0 224.348 2.197 40 0 BEABRO c1csc(CCN2CC[NH2+][C@H]3CCC[C@H]32)c1 ZINC000218843073 386242876 /nfs/dbraw/zinc/24/28/76/386242876.db2.gz QAUPJZQIGTZSKP-QWHCGFSZSA-N 1 0 236.384 2.117 40 0 BEABRO CCN(CC[NH3+])Cc1ccc(SC)cc1 ZINC000060054865 386486303 /nfs/dbraw/zinc/48/63/03/386486303.db2.gz YJCUFGBSVBGHHX-UHFFFAOYSA-N 1 0 224.373 2.189 40 0 BEABRO [NH3+][C@@H]1CCC[C@H]1Nc1cc(F)ccc1F ZINC000218882602 386505879 /nfs/dbraw/zinc/50/58/79/386505879.db2.gz XCPUZSHCBZMRPF-NXEZZACHSA-N 1 0 212.243 2.257 40 0 BEABRO [NH3+][C@H]1CCC[C@H]1Nc1cc(F)ccc1F ZINC000218882677 386507656 /nfs/dbraw/zinc/50/76/56/386507656.db2.gz XCPUZSHCBZMRPF-VHSXEESVSA-N 1 0 212.243 2.257 40 0 BEABRO C[NH2+][C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000053201450 387534816 /nfs/dbraw/zinc/53/48/16/387534816.db2.gz FDQRRBLFTPFTGQ-CYBMUJFWSA-N 1 0 222.307 2.010 40 0 BEABRO COc1ccc(C[NH2+]Cc2c(C)cnn2C)cc1 ZINC000256052095 387860582 /nfs/dbraw/zinc/86/05/82/387860582.db2.gz LXAPOQMZPGJNDT-UHFFFAOYSA-N 1 0 245.326 2.027 40 0 BEABRO Cc1cc(C(F)(F)F)nc([C@]2(C)CCC[NH2+]2)n1 ZINC000072354372 177830244 /nfs/dbraw/zinc/83/02/44/177830244.db2.gz WNBQWDMFUUQWOL-JTQLQIEISA-N 1 0 245.248 2.402 40 0 BEABRO COC(=O)c1ccc([C@H]2CCC[NH2+]C2)c(F)c1 ZINC000038539406 388373566 /nfs/dbraw/zinc/37/35/66/388373566.db2.gz YBAPBDMANHJSFV-JTQLQIEISA-N 1 0 237.274 2.079 40 0 BEABRO Cc1ccc([C@@H](CCO)CC[NH+](C)C)cc1 ZINC000217800351 388381882 /nfs/dbraw/zinc/38/18/82/388381882.db2.gz LXVFMXIBNVLYLF-CQSZACIVSA-N 1 0 221.344 2.413 40 0 BEABRO COC[C@@]1(c2ccccc2)CC[C@H]([NH3+])C1 ZINC000217812627 388382088 /nfs/dbraw/zinc/38/20/88/388382088.db2.gz XSPOKWJVSZYKEQ-QWHCGFSZSA-N 1 0 205.301 2.082 40 0 BEABRO [NH3+]CC[C@H]1CCCc2c1ncn2CC1CC1 ZINC000217783692 388382224 /nfs/dbraw/zinc/38/22/24/388382224.db2.gz YRBSJIYCBZJFBO-LLVKDONJSA-N 1 0 219.332 2.062 40 0 BEABRO CCOc1ccccc1N1CC[NH2+][C@H]2CCC[C@H]21 ZINC000218845824 388393189 /nfs/dbraw/zinc/39/31/89/388393189.db2.gz ILMRDPMGWTWVDY-QWHCGFSZSA-N 1 0 246.354 2.416 40 0 BEABRO CC(C)([NH3+])[C@@H](O)c1cccc(Br)c1 ZINC000019684301 388611887 /nfs/dbraw/zinc/61/18/87/388611887.db2.gz LFEUDFRKSCSGPS-VIFPVBQESA-N 1 0 244.132 2.220 40 0 BEABRO Fc1ccc(-c2n[nH]c(C3CC[NH2+]CC3)n2)cc1 ZINC000064875545 388672136 /nfs/dbraw/zinc/67/21/36/388672136.db2.gz YPOFXKKWXUGGTP-UHFFFAOYSA-N 1 0 246.289 2.078 40 0 BEABRO CCC[C@@H](C(=O)OC)[N@@H+]1CCCC[C@H]1C ZINC000248126406 388674024 /nfs/dbraw/zinc/67/40/24/388674024.db2.gz XCUSXHHSDBPAFM-MNOVXSKESA-N 1 0 213.321 2.203 40 0 BEABRO Clc1cccc2c1C1(CO2)CC[NH2+]CC1 ZINC000255187488 388676040 /nfs/dbraw/zinc/67/60/40/388676040.db2.gz DWDGJTMBLKEOTJ-UHFFFAOYSA-N 1 0 223.703 2.354 40 0 BEABRO C[C@@H](O[C@H]1CC[NH2+]C1)c1cncc(Cl)c1 ZINC000252483216 388653240 /nfs/dbraw/zinc/65/32/40/388653240.db2.gz DXKABCCNKZTURV-KCJUWKMLSA-N 1 0 226.707 2.175 40 0 BEABRO CCC[C@]12CCC(=O)N1[C@@H]1CCCC[C@H]1[NH2+]2 ZINC000251116469 388745244 /nfs/dbraw/zinc/74/52/44/388745244.db2.gz HFBNSQOMCGXKBX-NQBHXWOUSA-N 1 0 222.332 2.020 40 0 BEABRO CC(C)(C)c1nnc([C@H]([NH3+])Cc2ccccc2)[nH]1 ZINC000095534902 388779016 /nfs/dbraw/zinc/77/90/16/388779016.db2.gz ZOYWGKMIZAKMAP-LLVKDONJSA-N 1 0 244.342 2.345 40 0 BEABRO Fc1ccccc1N1CC[NH2+][C@H]2CCC[C@@H]21 ZINC000225716881 388840405 /nfs/dbraw/zinc/84/04/05/388840405.db2.gz GLTPNMWLBDHGSZ-AAEUAGOBSA-N 1 0 220.291 2.156 40 0 BEABRO C1CCC([N@@H+]2CCN[C@@H]3CCCC[C@@H]32)C1 ZINC000225711473 388841125 /nfs/dbraw/zinc/84/11/25/388841125.db2.gz ZWKJNDZNZSTNMG-OLZOCXBDSA-N 1 0 208.349 2.145 40 0 BEABRO COc1ccccc1N1CC[NH2+][C@@H]2CCCC[C@@H]21 ZINC000225712863 388841322 /nfs/dbraw/zinc/84/13/22/388841322.db2.gz BMMDBEJVFDAXMM-OLZOCXBDSA-N 1 0 246.354 2.416 40 0 BEABRO Fc1ccc(CN2CC[NH2+][C@H]3CCC[C@@H]32)cc1 ZINC000225715986 388868255 /nfs/dbraw/zinc/86/82/55/388868255.db2.gz LBRLCNDADHUNML-KBPBESRZSA-N 1 0 234.318 2.152 40 0 BEABRO Cc1cccc(N2[C@H](C)C[NH2+]C[C@H]2C)c1C ZINC000011632627 132319875 /nfs/dbraw/zinc/31/98/75/132319875.db2.gz HZBPUJQEOWGYGS-VXGBXAGGSA-N 1 0 218.344 2.490 40 0 BEABRO C[C@H]1C[NH2+]C[C@H](C)N1c1ccc(F)cc1 ZINC000011632654 132319879 /nfs/dbraw/zinc/31/98/79/132319879.db2.gz XSWIJPLJWWYSJJ-UWVGGRQHSA-N 1 0 208.280 2.012 40 0 BEABRO COC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000070453736 322905220 /nfs/dbraw/zinc/90/52/20/322905220.db2.gz BKNASUWNTMRJRJ-CYBMUJFWSA-N 1 0 233.311 2.039 40 0 BEABRO [NH3+][C@@H]1CCCC[C@H]1NCc1ccccc1F ZINC000072411142 410027684 /nfs/dbraw/zinc/02/76/84/410027684.db2.gz BSEBPYRQKRQSIO-CHWSQXEVSA-N 1 0 222.307 2.185 40 0 BEABRO Brc1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC000072193303 166099463 /nfs/dbraw/zinc/09/94/63/166099463.db2.gz HFHUQKSKYTXHOJ-QMMMGPOBSA-N 1 0 227.105 2.269 40 0 BEABRO Brc1ccccc1CC1C[NH2+]C1 ZINC000019441313 166103169 /nfs/dbraw/zinc/10/31/69/166103169.db2.gz VHFZIHZIYYFWGZ-UHFFFAOYSA-N 1 0 226.117 2.211 40 0 BEABRO CC(C)CC(=O)N1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000033426506 166761477 /nfs/dbraw/zinc/76/14/77/166761477.db2.gz HBZBZOHXYWOWFN-AWEZNQCLSA-N 1 0 238.375 2.025 40 0 BEABRO CC(C)[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072203600 167110577 /nfs/dbraw/zinc/11/05/77/167110577.db2.gz AWYSTTQBDWOKLF-NSHDSACASA-N 1 0 242.363 2.384 40 0 BEABRO CC(C)OCCC[NH2+]Cc1cnn(C(C)C)c1 ZINC000226238408 167224070 /nfs/dbraw/zinc/22/40/70/167224070.db2.gz SQRPAQQSVMSLKA-UHFFFAOYSA-N 1 0 239.363 2.369 40 0 BEABRO CC(C)O[C@@H](C[NH3+])c1c(F)cccc1F ZINC000062711811 167281947 /nfs/dbraw/zinc/28/19/47/167281947.db2.gz DJHWTFSINYGMKK-JTQLQIEISA-N 1 0 215.243 2.390 40 0 BEABRO CC(C)Oc1ccc([C@@H]2C[NH2+]CCN2C)cc1 ZINC000071545103 167300098 /nfs/dbraw/zinc/30/00/98/167300098.db2.gz FFXFMEJLEWIEDE-AWEZNQCLSA-N 1 0 234.343 2.050 40 0 BEABRO CC(C)n1nccc1C[NH2+]Cc1cccn1C ZINC000256054975 167792993 /nfs/dbraw/zinc/79/29/93/167792993.db2.gz YOXHFMCOUILQRQ-UHFFFAOYSA-N 1 0 232.331 2.092 40 0 BEABRO CC1CC[NH+](CCCNC(=O)C(C)(C)C)CC1 ZINC000041997427 168179265 /nfs/dbraw/zinc/17/92/65/168179265.db2.gz CKANGYVHQMLIOU-UHFFFAOYSA-N 1 0 240.391 2.271 40 0 BEABRO CC[N@@H+]1CC[C@H](c2cc3cccnc3[nH]2)C1 ZINC000072361095 170023808 /nfs/dbraw/zinc/02/38/08/170023808.db2.gz IHFWMDLQHPJENV-NSHDSACASA-N 1 0 215.300 2.372 40 0 BEABRO CC[N@@H+]1CCc2ncc(Br)cc2C1 ZINC000096515764 170025207 /nfs/dbraw/zinc/02/52/07/170025207.db2.gz CRVHSJMZBIUZQL-UHFFFAOYSA-N 1 0 241.132 2.222 40 0 BEABRO CCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000038832127 170099088 /nfs/dbraw/zinc/09/90/88/170099088.db2.gz JSGNIBHKHVBIFT-AWEZNQCLSA-N 1 0 246.354 2.035 40 0 BEABRO CC[NH2+]CC[C@H](CCO)c1ccc(C)cc1 ZINC000217800551 170117641 /nfs/dbraw/zinc/11/76/41/170117641.db2.gz JJPLGLMAYAFFQS-CQSZACIVSA-N 1 0 221.344 2.461 40 0 BEABRO CC[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000034963061 170150503 /nfs/dbraw/zinc/15/05/03/170150503.db2.gz GPRPWGYOLRHPLE-CQSZACIVSA-N 1 0 218.344 2.261 40 0 BEABRO CCOC(=O)CC[NH+]1[C@H](C)CCC[C@H]1C ZINC000036671337 170207276 /nfs/dbraw/zinc/20/72/76/170207276.db2.gz AHWZPSGTCFEGAT-GHMZBOCLSA-N 1 0 213.321 2.203 40 0 BEABRO CCOC(=O)CC[NH2+][C@H]1CCCC[C@H]1C ZINC000036667565 170210143 /nfs/dbraw/zinc/21/01/43/170210143.db2.gz XKHGOPJHZZPKGU-MNOVXSKESA-N 1 0 213.321 2.108 40 0 BEABRO CCOc1ccc2[nH]c(C)c(C[NH3+])c2c1 ZINC000082593108 170566327 /nfs/dbraw/zinc/56/63/27/170566327.db2.gz DVMBEKWDLCMSCA-UHFFFAOYSA-N 1 0 204.273 2.334 40 0 BEABRO CC[C@@H](C)[NH2+]Cc1ccc(OC)c(O)c1 ZINC000019881880 170754291 /nfs/dbraw/zinc/75/42/91/170754291.db2.gz QRSHSNRBDHBUGQ-SECBINFHSA-N 1 0 209.289 2.289 40 0 BEABRO CC[C@@](O)(CC[NH+](C)C)c1ccccc1 ZINC000002019836 171194738 /nfs/dbraw/zinc/19/47/38/171194738.db2.gz SNVUWIFPJAVATJ-CYBMUJFWSA-N 1 0 207.317 2.236 40 0 BEABRO CC[C@H](C(=O)N1CC[NH2+]C[C@H]1C)c1ccccc1 ZINC000054369892 171224449 /nfs/dbraw/zinc/22/44/49/171224449.db2.gz OSAXFPZZSDMGBO-OCCSQVGLSA-N 1 0 246.354 2.001 40 0 BEABRO CC[C@H](C)[C@@H]([NH3+])CN(CC)Cc1ccncc1 ZINC000042516908 171372864 /nfs/dbraw/zinc/37/28/64/171372864.db2.gz RXTNZCKMPYFWTC-JSGCOSHPSA-N 1 0 235.375 2.277 40 0 BEABRO CCn1c(C)c(C[NH3+])c2cc(OC)ccc21 ZINC000223755494 172134332 /nfs/dbraw/zinc/13/43/32/172134332.db2.gz BBPOPAFMLYEOBC-UHFFFAOYSA-N 1 0 218.300 2.437 40 0 BEABRO CCn1nccc1C[NH2+]Cc1ccc(F)cc1 ZINC000002536115 172270983 /nfs/dbraw/zinc/27/09/83/172270983.db2.gz BOINEZOPZGHRCR-UHFFFAOYSA-N 1 0 233.290 2.332 40 0 BEABRO C[NH+]1CCC(c2ccnc(-n3ccnc3)c2)CC1 ZINC000072386556 173001989 /nfs/dbraw/zinc/00/19/89/173001989.db2.gz ADFAFTUKFKYXKA-UHFFFAOYSA-N 1 0 242.326 2.077 40 0 BEABRO C[NH+]1CCC(c2n[nH]c3ccccc32)CC1 ZINC000026896038 173002042 /nfs/dbraw/zinc/00/20/42/173002042.db2.gz ANRNAWIFBBHGTG-UHFFFAOYSA-N 1 0 215.300 2.372 40 0 BEABRO C[N@@H+]1CCc2ncnc(-c3ccccc3)c2CC1 ZINC000096255371 173174109 /nfs/dbraw/zinc/17/41/09/173174109.db2.gz LBEKUWDLMKXNMB-UHFFFAOYSA-N 1 0 239.322 2.174 40 0 BEABRO C[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000037241928 173322539 /nfs/dbraw/zinc/32/25/39/173322539.db2.gz SODYUCNWDQJUMV-UHFFFAOYSA-N 1 0 222.307 2.010 40 0 BEABRO C[NH2+]C1CCN(Cc2ccccc2F)CC1 ZINC000037241451 173322882 /nfs/dbraw/zinc/32/28/82/173322882.db2.gz AOGGVQIVKJEWEM-UHFFFAOYSA-N 1 0 222.307 2.010 40 0 BEABRO C[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000033961910 173378097 /nfs/dbraw/zinc/37/80/97/173378097.db2.gz OMJZRIGOKXUQEC-CQSZACIVSA-N 1 0 218.344 2.261 40 0 BEABRO C[NH2+]C[C@H]1C[C@@H]1c1cc(OC)ccc1OC ZINC000054588803 173382893 /nfs/dbraw/zinc/38/28/93/173382893.db2.gz PJAWTBPNBFIOAB-KOLCDFICSA-N 1 0 221.300 2.027 40 0 BEABRO C[NH2+]Cc1cc(-c2ccccc2F)no1 ZINC000035655520 173386386 /nfs/dbraw/zinc/38/63/86/173386386.db2.gz YTIAEWLECBLVCK-UHFFFAOYSA-N 1 0 206.220 2.200 40 0 BEABRO C[NH2+]Cc1nc(-c2ccccc2)oc1C ZINC000012370182 173394568 /nfs/dbraw/zinc/39/45/68/173394568.db2.gz WFIYOYRKPWLPFI-UHFFFAOYSA-N 1 0 202.257 2.369 40 0 BEABRO CN[C@H](C[NH3+])c1c(Cl)cccc1Cl ZINC000050269915 173452896 /nfs/dbraw/zinc/45/28/96/173452896.db2.gz ZAECCYQEMWHUQD-MRVPVSSYSA-N 1 0 219.115 2.213 40 0 BEABRO C[NH2+][C@]1(CN2CCCC2)CCc2ccccc2C1 ZINC000022927774 173470250 /nfs/dbraw/zinc/47/02/50/173470250.db2.gz UBDASNATHZNUNT-MRXNPFEDSA-N 1 0 244.382 2.229 40 0 BEABRO COC1=Nc2c(C)ccc[n+]2CC(=O)CC1 ZINC000016155525 174014642 /nfs/dbraw/zinc/01/46/42/174014642.db2.gz LVWGPXWQAQJVDN-NTMALXAHSA-O 1 0 219.264 2.109 40 0 BEABRO COCCC[NH2+]Cc1ccc(CC(C)C)n1C ZINC000226020116 174247812 /nfs/dbraw/zinc/24/78/12/174247812.db2.gz PZFOOAAUEWAZQX-UHFFFAOYSA-N 1 0 238.375 2.350 40 0 BEABRO COCCC[NH2+][C@@H](C)c1ccccc1OC ZINC000020142319 174249209 /nfs/dbraw/zinc/24/92/09/174249209.db2.gz TYXNTIBEQVZQTK-NSHDSACASA-N 1 0 223.316 2.382 40 0 BEABRO COCC[NH+]1CCC(Oc2cccc(C)c2)CC1 ZINC000072350995 174305575 /nfs/dbraw/zinc/30/55/75/174305575.db2.gz WBTDFCBQPSQIFZ-UHFFFAOYSA-N 1 0 249.354 2.485 40 0 BEABRO COCC[NH2+]Cc1ccc(C)c(C)c1OC ZINC000095094883 174336213 /nfs/dbraw/zinc/33/62/13/174336213.db2.gz QDGKWNBGRQMJSK-UHFFFAOYSA-N 1 0 223.316 2.048 40 0 BEABRO COCCOc1ccc(C[NH3+])cc1C(F)(F)F ZINC000071398418 174368680 /nfs/dbraw/zinc/36/86/80/174368680.db2.gz XFYOHPKXWTYDNS-UHFFFAOYSA-N 1 0 249.232 2.189 40 0 BEABRO COc1cc(C[C@@H](C)[NH3+])c(OC)cc1Cl ZINC000025982043 174988323 /nfs/dbraw/zinc/98/83/23/174988323.db2.gz ACRITBNCBMTINK-SSDOTTSWSA-N 1 0 229.707 2.247 40 0 in-vitro BEABRO COc1cc([C@H](C)CC[NH3+])cc(OC)c1OC ZINC000076621367 175015179 /nfs/dbraw/zinc/01/51/79/175015179.db2.gz IGTXPMJALPZKGY-SECBINFHSA-N 1 0 239.315 2.165 40 0 BEABRO COc1cc2c(cc1OC)C[N@H+](C)[C@@H](C)C2 ZINC000001665749 175024399 /nfs/dbraw/zinc/02/43/99/175024399.db2.gz FPKSKXFZCSATTG-VIFPVBQESA-N 1 0 221.300 2.080 40 0 BEABRO COc1ccc(Nc2cc(N)nc(C)[nH+]2)cc1 ZINC000049467300 175156231 /nfs/dbraw/zinc/15/62/31/175156231.db2.gz IRYYVBDIEHPLTH-UHFFFAOYSA-N 1 0 230.271 2.119 40 0 BEABRO COc1ccc([C@H]2C[C@H]2[C@@H](C)[NH3+])cc1OC ZINC000020392401 175198124 /nfs/dbraw/zinc/19/81/24/175198124.db2.gz HYRHCZXUDHOWNL-DVVUODLYSA-N 1 0 221.300 2.155 40 0 BEABRO COc1cccc(C[NH2+]CCCn2ccnc2)c1 ZINC000010314060 175264451 /nfs/dbraw/zinc/26/44/51/175264451.db2.gz IYPOMTFEIXLCLK-UHFFFAOYSA-N 1 0 245.326 2.072 40 0 BEABRO COc1cccc([C@]2(O)CCCC[C@@H]2C[NH3+])c1 ZINC000021986239 175297373 /nfs/dbraw/zinc/29/73/73/175297373.db2.gz QNPPIKMBCJUUTG-TZMCWYRMSA-N 1 0 235.327 2.032 40 0 BEABRO COc1ccccc1C[NH2+]Cc1cn(C)nc1C ZINC000020349148 175329756 /nfs/dbraw/zinc/32/97/56/175329756.db2.gz WKCJGGADLDBBFM-UHFFFAOYSA-N 1 0 245.326 2.027 40 0 BEABRO C[C@@H](O)/C=C/c1ccc2ccccc2[n+]1C ZINC000000047472 175940090 /nfs/dbraw/zinc/94/00/90/175940090.db2.gz IUWUOTAPBHIDDL-MXMFLMJRSA-N 1 0 214.288 2.058 40 0 BEABRO C[C@@H]1CN(CC/C=C/c2ccccc2)CC[NH2+]1 ZINC000079439951 176284543 /nfs/dbraw/zinc/28/45/43/176284543.db2.gz MPPZBOYQAFNTCD-VZUFXWRPSA-N 1 0 230.355 2.384 40 0 BEABRO C[C@@]1(c2cccc(Cl)c2)C[NH2+]CCO1 ZINC000096526557 176546317 /nfs/dbraw/zinc/54/63/17/176546317.db2.gz YBSAVMKBIMEBCE-NSHDSACASA-N 1 0 211.692 2.175 40 0 BEABRO C[C@H]([NH3+])COc1ccc(C(F)(F)F)cc1 ZINC000075881435 176760699 /nfs/dbraw/zinc/76/06/99/176760699.db2.gz LEDXTXLXZZVLGQ-ZETCQYMHSA-N 1 0 219.206 2.431 40 0 BEABRO C[C@@H]1CC(O)(c2ccccc2)C[C@H](C)[N@H+]1C ZINC000004728783 177065896 /nfs/dbraw/zinc/06/58/96/177065896.db2.gz SFCKGVRRVILRML-ONXXMXGDSA-N 1 0 219.328 2.377 40 0 BEABRO C[C@H]1CCCC[C@@]1(C[NH3+])NC(=O)OC(C)(C)C ZINC000096102471 177084989 /nfs/dbraw/zinc/08/49/89/177084989.db2.gz QNJPTRDSPLWFQA-GWCFXTLKSA-N 1 0 242.363 2.419 40 0 BEABRO C[C@H]1CCC[C@H]1OC[C@H](O)C[NH+]1CCCCC1 ZINC000010434798 177142540 /nfs/dbraw/zinc/14/25/40/177142540.db2.gz ZSEZJUFXRAHNSD-BFHYXJOUSA-N 1 0 241.375 2.038 40 0 BEABRO C[C@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2)CC[C@@H]1C ZINC000129766877 177152016 /nfs/dbraw/zinc/15/20/16/177152016.db2.gz QNBVJVUNGNGMDR-SGMGOOAPSA-N 1 0 246.354 2.191 40 0 BEABRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccs1 ZINC000072324421 177280368 /nfs/dbraw/zinc/28/03/68/177280368.db2.gz AUFZOEMMLVUAKW-NWDGAFQWSA-N 1 0 236.384 2.417 40 0 BEABRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)C[C@@H]1O ZINC000004697432 177374419 /nfs/dbraw/zinc/37/44/19/177374419.db2.gz LDTHAFXMNUJREZ-DYEKYZERSA-N 1 0 219.328 2.278 40 0 BEABRO C[C@H](C[NH+](C)C)Oc1ccc2c(c1)C(=O)[C@@H](C)C2 ZINC000001675080 177389808 /nfs/dbraw/zinc/38/98/08/177389808.db2.gz NWMZWVSNWLBQCA-WDEREUQCSA-N 1 0 247.338 2.390 40 0 BEABRO Cn1n[s+]c(Cl)c1-c1ccccc1 ZINC000003844453 177501922 /nfs/dbraw/zinc/50/19/22/177501922.db2.gz PHAYNYBYGWIHHN-UHFFFAOYSA-N 1 0 211.697 2.288 40 0 BEABRO Fc1ccc(CN2CC[NH2+][C@@H]3CCC[C@H]32)cc1 ZINC000218842460 323086511 /nfs/dbraw/zinc/08/65/11/323086511.db2.gz LBRLCNDADHUNML-ZIAGYGMSSA-N 1 0 234.318 2.152 40 0 BEABRO C([NH2+]C1CC2(C1)CCCCC2)C1COC1 ZINC000529677056 324376791 /nfs/dbraw/zinc/37/67/91/324376791.db2.gz YQYCCZYOMUBAIP-UHFFFAOYSA-N 1 0 209.333 2.335 40 0 BEABRO Clc1ccccc1CNC[C@H]1CCC[NH2+]C1 ZINC000072202908 487995183 /nfs/dbraw/zinc/99/51/83/487995183.db2.gz MTIUEAPWQNCULQ-NSHDSACASA-N 1 0 238.762 2.429 40 0 BEABRO CCn1cc(C[NH2+]Cc2cccc(F)c2)cn1 ZINC000020349190 523385894 /nfs/dbraw/zinc/38/58/94/523385894.db2.gz CZAGZCJWFIZXGZ-UHFFFAOYSA-N 1 0 233.290 2.332 40 0 BEABRO CCn1cc(Cc2ccccc2F)[nH+]c1N ZINC000199550075 523398969 /nfs/dbraw/zinc/39/89/69/523398969.db2.gz PNOMMOJEWDMTFA-UHFFFAOYSA-N 1 0 219.263 2.215 40 0 BEABRO Cc1ccc(F)c2cc(C)c(N(C)N)[nH+]c12 ZINC000199546256 524837142 /nfs/dbraw/zinc/83/71/42/524837142.db2.gz DNOXQVNINPXOMD-UHFFFAOYSA-N 1 0 219.263 2.301 40 0 BEABRO C[C@@H]1C[C@H]2[C@@H](C[C@@H](C(F)(F)F)C[C@H]2C[NH3+])O1 ZINC000242495141 525514184 /nfs/dbraw/zinc/51/41/84/525514184.db2.gz FWJZILYJODZJNY-SOYHJAILSA-N 1 0 237.265 2.327 40 0 BEABRO Cc1ccc2[nH+]c(N(C)N)cc(C)c2c1 ZINC000199550408 526251481 /nfs/dbraw/zinc/25/14/81/526251481.db2.gz MYFXJGCFBJOOON-UHFFFAOYSA-N 1 0 201.273 2.162 40 0 BEABRO [NH3+]Cc1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000225750131 527259106 /nfs/dbraw/zinc/25/91/06/527259106.db2.gz DLLIMPJSEVPEBP-UHFFFAOYSA-N 1 0 209.248 2.357 40 0 BEABRO C[N@@H+]1CCC[C@H]1C[C@@H]1CNc2cccc(O)c21 ZINC000214474757 1167037305 /nfs/dbraw/zinc/03/73/05/1167037305.db2.gz IEZDBJGTSJCFTD-MNOVXSKESA-N 1 0 232.327 2.386 40 0 BEABRO CC[N@@H+]1CCC[C@H](c2[nH]nc3ncccc32)C1 ZINC000072350737 343979541 /nfs/dbraw/zinc/97/95/41/343979541.db2.gz XGVCVIVWTFWOGF-JTQLQIEISA-N 1 0 230.315 2.157 40 0 BEABRO Cc1cc(F)ccc1CN1CCC([NH3+])CC1 ZINC000038539810 178085958 /nfs/dbraw/zinc/08/59/58/178085958.db2.gz PWLVBDYSCSPABV-UHFFFAOYSA-N 1 0 222.307 2.057 40 0 BEABRO Cc1cc(F)ccc1OC[C@H]1CC[NH2+]C1 ZINC000038580796 178090566 /nfs/dbraw/zinc/09/05/66/178090566.db2.gz UXEPUGDAECOEFN-JTQLQIEISA-N 1 0 209.264 2.122 40 0 BEABRO Cc1cc(F)ccc1N[C@H]1CCC[C@@H]1[NH3+] ZINC000218881878 178091351 /nfs/dbraw/zinc/09/13/51/178091351.db2.gz HLUPJSZLMCWPKH-JQWIXIFHSA-N 1 0 208.280 2.426 40 0 BEABRO Cc1cc(O[C@H]2CCC[NH2+]C2)ccc1F ZINC000038580899 178214532 /nfs/dbraw/zinc/21/45/32/178214532.db2.gz CAOYRWVLOAHFDD-NSHDSACASA-N 1 0 209.264 2.265 40 0 BEABRO Cc1cc(=O)[nH]c([C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000072348457 178203690 /nfs/dbraw/zinc/20/36/90/178203690.db2.gz FCNWSZJQZWTJKE-NSHDSACASA-N 1 0 235.331 2.078 40 0 BEABRO Cc1cc([C@@H]2CCCN2CC[NH3+])sc1C ZINC000022763076 178240707 /nfs/dbraw/zinc/24/07/07/178240707.db2.gz WANDVQYSFFJOEI-NSHDSACASA-N 1 0 224.373 2.461 40 0 BEABRO Cc1cc([C@H]2CCCN2CC[NH3+])sc1C ZINC000022763080 178267068 /nfs/dbraw/zinc/26/70/68/178267068.db2.gz WANDVQYSFFJOEI-LLVKDONJSA-N 1 0 224.373 2.461 40 0 BEABRO Cc1c(F)cccc1N[C@@H]1CCC[C@@H]1[NH3+] ZINC000218882114 398248435 /nfs/dbraw/zinc/24/84/35/398248435.db2.gz QKAYBOXPNVFHOI-CMPLNLGQSA-N 1 0 208.280 2.426 40 0 BEABRO Cc1ccc(-c2noc(CSC(N)=[NH2+])n2)cc1 ZINC000087464301 178343489 /nfs/dbraw/zinc/34/34/89/178343489.db2.gz KTLIBSLIPCGEMJ-UHFFFAOYSA-N 1 0 248.311 2.172 40 0 BEABRO C[NH+](C)[C@H](CO)c1ccccc1C(F)(F)F ZINC000070453362 259313764 /nfs/dbraw/zinc/31/37/64/259313764.db2.gz OKZBZJBHUQDSAB-SNVBAGLBSA-N 1 0 233.233 2.300 40 0 BEABRO O=C(c1ccccc1)N1CC[NH2+][C@@H]2CCCC[C@H]21 ZINC000072210179 259316667 /nfs/dbraw/zinc/31/66/67/259316667.db2.gz YKGRKMSDSHKIMV-ZIAGYGMSSA-N 1 0 244.338 2.043 40 0 BEABRO C[NH+](CCc1ccccn1)CCc1ccccn1 ZINC000001562276 342703076 /nfs/dbraw/zinc/70/30/76/342703076.db2.gz PQHKIDBZBKQYMR-UHFFFAOYSA-N 1 0 241.338 2.194 40 0 in-vitro BEABRO Cc1cncc2c(=O)n(-c3ccccc3)n(C)c21 ZINC000001668602 342707800 /nfs/dbraw/zinc/70/78/00/342707800.db2.gz AWIXPNHCBPNIGW-UHFFFAOYSA-N 1 0 239.278 2.033 40 0 BEABRO C[C@H](C[NH+](C)C)Oc1ccc2c(c1)C(=O)[C@H](C)C2 ZINC000001675081 342708269 /nfs/dbraw/zinc/70/82/69/342708269.db2.gz NWMZWVSNWLBQCA-GHMZBOCLSA-N 1 0 247.338 2.390 40 0 BEABRO CC[C@@H](C)[NH2+]CCOC(=O)c1ccccc1 ZINC000001710399 342710382 /nfs/dbraw/zinc/71/03/82/342710382.db2.gz NRZGGCJHXOTBPP-LLVKDONJSA-N 1 0 221.300 2.232 40 0 BEABRO Cc1cc(-c2ccc(Cl)cc2)[n+](C)n1C ZINC000001852042 342713062 /nfs/dbraw/zinc/71/30/62/342713062.db2.gz MBLOZKAEENXCNE-UHFFFAOYSA-N 1 0 221.711 2.478 40 0 BEABRO CC(C)C(=O)[C@H](CC[NH+](C)C)c1ccccn1 ZINC000002045653 342715338 /nfs/dbraw/zinc/71/53/38/342715338.db2.gz PNLVBCYMNFQAOQ-GFCCVEGCSA-N 1 0 234.343 2.342 40 0 BEABRO Cc1nc(N)ccc1[C@H]1CCCC[N@H+]1C ZINC000072218575 259318086 /nfs/dbraw/zinc/31/80/86/259318086.db2.gz UEKDFUSKQWKHJN-LLVKDONJSA-N 1 0 205.305 2.129 40 0 BEABRO CCOc1ccc(OC)cc1C[NH2+]C1CC1 ZINC000034656160 342726124 /nfs/dbraw/zinc/72/61/24/342726124.db2.gz QNRFMOGIKQKWMQ-UHFFFAOYSA-N 1 0 221.300 2.346 40 0 BEABRO C[N@@H+]1CCC[C@@H]1c1ccc(NC2CC2)nc1 ZINC000072213763 259318415 /nfs/dbraw/zinc/31/84/15/259318415.db2.gz MGBUQNKEGUXJQF-GFCCVEGCSA-N 1 0 217.316 2.423 40 0 BEABRO Cc1cc([C@H]2CCCC[N@H+]2C)cnc1N ZINC000072218455 259318418 /nfs/dbraw/zinc/31/84/18/259318418.db2.gz YFECOKMUPBSPOH-LLVKDONJSA-N 1 0 205.305 2.129 40 0 BEABRO BrC1=C[C@H]2CC=CC[C@@H](C1)[NH2+]2 ZINC000004993052 342755946 /nfs/dbraw/zinc/75/59/46/342755946.db2.gz ZBOJQGQSDVXMFH-BDAKNGLRSA-N 1 0 214.106 2.346 40 0 BEABRO C[C@@H](O)c1ccc[n+](Cc2ccccc2)c1 ZINC000006443314 342778031 /nfs/dbraw/zinc/77/80/31/342778031.db2.gz HBPPUEWELDEJTA-GFCCVEGCSA-N 1 0 214.288 2.076 40 0 BEABRO Cc1cc([C@H]([NH3+])c2ccccc2)cnc1N ZINC000072222050 259320017 /nfs/dbraw/zinc/32/00/17/259320017.db2.gz AJOPGFUJTVEEOR-GFCCVEGCSA-N 1 0 213.284 2.020 40 0 BEABRO CC[C@@H]([NH3+])c1cnc(N(C)CC)cc1C ZINC000072223243 259320871 /nfs/dbraw/zinc/32/08/71/259320871.db2.gz GGOSXMPHEPACAQ-LLVKDONJSA-N 1 0 207.321 2.256 40 0 BEABRO COc1cc(C)c([C@H]([NH3+])c2ccccc2)cn1 ZINC000072222987 259320799 /nfs/dbraw/zinc/32/07/99/259320799.db2.gz XMPBQHFJIOGBLF-CQSZACIVSA-N 1 0 228.295 2.447 40 0 BEABRO CCOC(=O)c1cccc(C[NH2+]C(C)C)c1 ZINC000381657101 539005857 /nfs/dbraw/zinc/00/58/57/539005857.db2.gz FMVIXEAHEVYCJY-UHFFFAOYSA-N 1 0 221.300 2.361 40 0 BEABRO CC[C@@H]([NH3+])c1ccc(N(CC)CC)nc1 ZINC000072225265 259322408 /nfs/dbraw/zinc/32/24/08/259322408.db2.gz QXNQUNJBCNERFR-LLVKDONJSA-N 1 0 207.321 2.338 40 0 BEABRO [NH3+][C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000011737313 342842957 /nfs/dbraw/zinc/84/29/57/342842957.db2.gz ZGFGIMCENHJDFB-LBPRGKRZSA-N 1 0 202.232 2.269 40 0 BEABRO [NH3+][C@H](c1cnc2c(c1)CCCC2)C1CC1 ZINC000242718348 259325981 /nfs/dbraw/zinc/32/59/81/259325981.db2.gz XKSOMGULYBKXJJ-ZDUSSCGKSA-N 1 0 202.301 2.370 40 0 BEABRO [NH3+][C@@H]1C[C@H]2C[C@@H]1C1(C2)SCCCS1 ZINC000217613383 398322029 /nfs/dbraw/zinc/32/20/29/398322029.db2.gz YSKFCZIPASFMFO-HRDYMLBCSA-N 1 0 215.387 2.310 40 0 BEABRO C[N@H+]1C[C@@H](c2cccc3ccccc32)[C@H](CO)C1 ZINC000217672064 398322612 /nfs/dbraw/zinc/32/26/12/398322612.db2.gz ZNNSSQQNZDAPMD-XJKSGUPXSA-N 1 0 241.334 2.477 40 0 BEABRO CCSc1ncc(C[NH2+]CC(C)C)cn1 ZINC000062717301 259329559 /nfs/dbraw/zinc/32/95/59/259329559.db2.gz MOVGJOHRUFDWPW-UHFFFAOYSA-N 1 0 225.361 2.334 40 0 BEABRO CC[NH+](CC)CCN1Cc2ccccc2C1 ZINC000019366120 342946746 /nfs/dbraw/zinc/94/67/46/342946746.db2.gz ZLAHMPYKIVXKFE-UHFFFAOYSA-N 1 0 218.344 2.344 40 0 BEABRO CCN(C)c1ccc(C2=[NH+]CCC2)cn1 ZINC000072212697 259332733 /nfs/dbraw/zinc/33/27/33/259332733.db2.gz PALAVYQGWFGNJB-UHFFFAOYSA-N 1 0 203.289 2.121 40 0 BEABRO Cn1cc(Cl)c([C@H]2CCCCC[NH2+]2)n1 ZINC000019290017 342945479 /nfs/dbraw/zinc/94/54/79/342945479.db2.gz DIEJLNSTLRNAEK-SECBINFHSA-N 1 0 213.712 2.278 40 0 BEABRO C[NH2+]Cc1cnc(N2CCCCCC2)cc1C ZINC000072223537 259332949 /nfs/dbraw/zinc/33/29/49/259332949.db2.gz LXWFEDKFTSKBPK-UHFFFAOYSA-N 1 0 233.359 2.490 40 0 BEABRO CCOc1ccccc1[C@H](C)[NH2+]CCOC ZINC000019881631 342960755 /nfs/dbraw/zinc/96/07/55/342960755.db2.gz RFWADLABSAHHKJ-NSHDSACASA-N 1 0 223.316 2.382 40 0 BEABRO C[C@H](C[NH2+]Cc1ccccc1)N1CCCC1 ZINC000022073568 343039620 /nfs/dbraw/zinc/03/96/20/343039620.db2.gz XFAFMLBPIGURDY-CYBMUJFWSA-N 1 0 218.344 2.261 40 0 BEABRO CC[C@](C)(C(=O)OC)[N@@H+]1CCC[C@@H](C)C1 ZINC000022123470 343040422 /nfs/dbraw/zinc/04/04/22/343040422.db2.gz MGVMHLJMIWYJRP-ZYHUDNBSSA-N 1 0 213.321 2.060 40 0 BEABRO C[C@H]([NH3+])COCc1ccc(Br)cc1 ZINC000028521563 343129583 /nfs/dbraw/zinc/12/95/83/343129583.db2.gz XVJOTGRMLPRKQA-QMMMGPOBSA-N 1 0 244.132 2.313 40 0 BEABRO [NH3+][C@H]1CCOc2c(F)cc(Br)cc21 ZINC000034975022 343282429 /nfs/dbraw/zinc/28/24/29/343282429.db2.gz LRPQGUQEFLAKSY-QMMMGPOBSA-N 1 0 246.079 2.371 40 0 BEABRO C[C@@H](CC(=O)N1CCC[NH2+]CC1)CC(C)(C)C ZINC000036889233 343326381 /nfs/dbraw/zinc/32/63/81/343326381.db2.gz GEAOAXXILQQRHM-LBPRGKRZSA-N 1 0 240.391 2.271 40 0 BEABRO CCN(Cc1cccc(Cl)c1)C(=O)[C@H](C)[NH3+] ZINC000037808715 343312668 /nfs/dbraw/zinc/31/26/68/343312668.db2.gz DZUYKMZPFGMEDX-VIFPVBQESA-N 1 0 240.734 2.036 40 0 BEABRO CN(CC[NH3+])Cc1ccc(Cl)cc1Cl ZINC000037267987 343342042 /nfs/dbraw/zinc/34/20/42/343342042.db2.gz QHVZHXVHFVJGKC-UHFFFAOYSA-N 1 0 233.142 2.384 40 0 BEABRO [NH3+][C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000037381414 343344254 /nfs/dbraw/zinc/34/42/54/343344254.db2.gz QOLIRVSGYNYCCI-YUMQZZPRSA-N 1 0 217.190 2.400 40 0 BEABRO Cc1oc(-c2cccc(F)c2)nc1C[NH3+] ZINC000039320605 343388736 /nfs/dbraw/zinc/38/87/36/343388736.db2.gz OCOVDKRFDYLLQX-UHFFFAOYSA-N 1 0 206.220 2.248 40 0 BEABRO CCN(Cc1ccc(Cl)cc1)C(=O)[C@H](C)[NH3+] ZINC000079420292 343400139 /nfs/dbraw/zinc/40/01/39/343400139.db2.gz ACKJNPAAWDPCSC-VIFPVBQESA-N 1 0 240.734 2.036 40 0 BEABRO CC(C)(C)OC(=O)N1CCC[C@@H](CCC[NH3+])C1 ZINC000044280121 343497163 /nfs/dbraw/zinc/49/71/63/343497163.db2.gz AJTYGHSVRUDXKS-LLVKDONJSA-N 1 0 242.363 2.372 40 0 BEABRO Cc1ccc(Nc2cc(N)nc(C)[nH+]2)cc1 ZINC000049467250 343598841 /nfs/dbraw/zinc/59/88/41/343598841.db2.gz GLLJWMUUBQUVQK-UHFFFAOYSA-N 1 0 214.272 2.419 40 0 BEABRO CCN1CCC[C@@H]1C[NH2+]CCCC1CC1 ZINC000096528424 343759070 /nfs/dbraw/zinc/75/90/70/343759070.db2.gz XHBNKOVUKJPPPU-CYBMUJFWSA-N 1 0 210.365 2.251 40 0 BEABRO C[C@@H]1C[C@]1(C[NH3+])[C@H](O)c1ccc(Cl)cc1 ZINC000096527184 343760020 /nfs/dbraw/zinc/76/00/20/343760020.db2.gz FMRUFLXRUIWCBX-GGZOMVNGSA-N 1 0 225.719 2.358 40 0 BEABRO CC[C@@H](C)[N@@H+]1CCC[C@]2(CN(C(C)C)C2=O)C1 ZINC000585099692 344132664 /nfs/dbraw/zinc/13/26/64/344132664.db2.gz YIKDKAUOMQAHCL-TZMCWYRMSA-N 1 0 238.375 2.118 40 0 BEABRO CC[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1C ZINC000016758636 344332557 /nfs/dbraw/zinc/33/25/57/344332557.db2.gz ILLZYUQZSHRPQG-OLZOCXBDSA-N 1 0 237.343 2.123 40 0 BEABRO Cc1nc([C@@]2(C)CCC[N@@H+](C)C2)cc2cncn21 ZINC000585261104 344372927 /nfs/dbraw/zinc/37/29/27/344372927.db2.gz LLGNLBKMUKLEPT-AWEZNQCLSA-N 1 0 244.342 2.021 40 0 BEABRO COc1cccc([C@@H]2C[C@H]2[C@@H](C)[NH3+])c1OC ZINC000020594440 344509861 /nfs/dbraw/zinc/50/98/61/344509861.db2.gz NRMIRCUHNDPXEF-MIMYLULJSA-N 1 0 221.300 2.155 40 0 BEABRO COc1ccc(OC)c([C@H]2C[C@H]2[C@@H](C)[NH3+])c1 ZINC000020594417 344509910 /nfs/dbraw/zinc/50/99/10/344509910.db2.gz DPZMVJPIWKFHMT-MIMYLULJSA-N 1 0 221.300 2.155 40 0 BEABRO OCc1cc2c([nH]1)CC[N@H+](Cc1ccccc1)C2 ZINC000072206955 344510559 /nfs/dbraw/zinc/51/05/59/344510559.db2.gz KZWRURPTRKLJSY-UHFFFAOYSA-N 1 0 242.322 2.065 40 0 BEABRO Cc1cc([C@@H]2CCC[N@H+]2CC(C)C)c[nH]c1=O ZINC000072217961 344514038 /nfs/dbraw/zinc/51/40/38/344514038.db2.gz BHGSUFHXYHMOHZ-ZDUSSCGKSA-N 1 0 234.343 2.476 40 0 BEABRO CCC[C@H]([NH3+])P(=O)(OCC)OCC ZINC000006381309 344838554 /nfs/dbraw/zinc/83/85/54/344838554.db2.gz KVHJLSZFDBFTDS-MRVPVSSYSA-N 1 0 209.226 2.337 40 0 BEABRO C[C@@H](c1ccccc1)N1C[C@H]2CC[NH2+]C[C@H]21 ZINC000585656370 345469042 /nfs/dbraw/zinc/46/90/42/345469042.db2.gz NGNQCJGKLHCSKU-IACUBPJLSA-N 1 0 216.328 2.041 40 0 BEABRO Cc1cccc(CN2CCC[C@H]([NH3+])C2)c1F ZINC000038539610 179076063 /nfs/dbraw/zinc/07/60/63/179076063.db2.gz ZRFKQTPJSIHGOZ-LBPRGKRZSA-N 1 0 222.307 2.057 40 0 BEABRO Cc1cccc(Cl)c1CN1CC[C@@H]([NH3+])C1 ZINC000038539012 179108138 /nfs/dbraw/zinc/10/81/38/179108138.db2.gz GSVBRAIEDJSABH-SNVBAGLBSA-N 1 0 224.735 2.181 40 0 BEABRO Cc1cccc(NC(=O)C2CC[NH+](C)CC2)c1 ZINC000074713308 179126611 /nfs/dbraw/zinc/12/66/11/179126611.db2.gz MZGADSCYWAWUSO-UHFFFAOYSA-N 1 0 232.327 2.275 40 0 BEABRO Cc1cccc([C@@H](C[NH3+])N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000022214804 179185599 /nfs/dbraw/zinc/18/55/99/179185599.db2.gz CLNKIICQKRMIRN-VNHYZAJKSA-N 1 0 248.370 2.104 40 0 BEABRO Cc1cccc([C@H](C[NH3+])N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000022214798 179198569 /nfs/dbraw/zinc/19/85/69/179198569.db2.gz CLNKIICQKRMIRN-GUTXKFCHSA-N 1 0 248.370 2.104 40 0 BEABRO CCOc1cc(C[NH3+])ccc1OC(C)C ZINC000020130504 347354260 /nfs/dbraw/zinc/35/42/60/347354260.db2.gz BLJODVOXNHXEKY-UHFFFAOYSA-N 1 0 209.289 2.331 40 0 BEABRO Cc1cccc[n+]1NC(=S)Nc1ccccc1 ZINC000016928848 179233788 /nfs/dbraw/zinc/23/37/88/179233788.db2.gz YUUGHESLMSQTDB-UHFFFAOYSA-O 1 0 244.343 2.223 40 0 BEABRO Cc1cccc2cc3c(nc12)OCC[NH2+]C3 ZINC000019236734 179228371 /nfs/dbraw/zinc/22/83/71/179228371.db2.gz WYBAENMNNFNRMD-UHFFFAOYSA-N 1 0 214.268 2.025 40 0 BEABRO Fc1ccc(CN2CCC[NH2+]CC2)c(Cl)c1 ZINC000019389549 347516584 /nfs/dbraw/zinc/51/65/84/347516584.db2.gz URRLTOUJADEJES-UHFFFAOYSA-N 1 0 242.725 2.274 40 0 BEABRO Cc1ccccc1C[N@@H+](CCO)C(C)C ZINC000049826049 179271837 /nfs/dbraw/zinc/27/18/37/179271837.db2.gz CELMUADGUWVPNV-UHFFFAOYSA-N 1 0 207.317 2.198 40 0 BEABRO Cc1ccccc1CN(C(=O)[C@H](C)[NH3+])C(C)C ZINC000079420560 179266963 /nfs/dbraw/zinc/26/69/63/179266963.db2.gz KFAUQAUUGNQGFJ-LBPRGKRZSA-N 1 0 234.343 2.079 40 0 BEABRO Cc1ccccc1NC(=O)C[NH+]1CCCC1 ZINC000005048118 179298342 /nfs/dbraw/zinc/29/83/42/179298342.db2.gz XYAAEDRRMYHYCN-UHFFFAOYSA-N 1 0 218.300 2.029 40 0 BEABRO COc1cccc([C@H]2C[C@@H]2[C@H](C)[NH3+])c1OC ZINC000036922592 347964765 /nfs/dbraw/zinc/96/47/65/347964765.db2.gz NRMIRCUHNDPXEF-JMJZKYOTSA-N 1 0 221.300 2.155 40 0 BEABRO Cc1cccnc1C[C@H]1CC[C@H]([NH3+])CC1 ZINC000257301052 179387549 /nfs/dbraw/zinc/38/75/49/179387549.db2.gz RWUSSXRFIPQSFC-HAQNSBGRSA-N 1 0 204.317 2.450 40 0 BEABRO c1cc([C@H]2CCCC[N@@H+]2C2CCOCC2)n[nH]1 ZINC000205701076 348578128 /nfs/dbraw/zinc/57/81/28/348578128.db2.gz FKZSPYBZLWPCSO-CYBMUJFWSA-N 1 0 235.331 2.116 40 0 BEABRO Clc1cc(Nc2cc[nH+]cc2)ncn1 ZINC000038579871 348714387 /nfs/dbraw/zinc/71/43/87/348714387.db2.gz QVKNZPWZBCZNOQ-UHFFFAOYSA-N 1 0 206.636 2.269 40 0 BEABRO COc1ccc([C@H](C[NH3+])OC(C)C)cc1F ZINC000062711804 259404696 /nfs/dbraw/zinc/40/46/96/259404696.db2.gz KUQMDZBRXMSTDW-LBPRGKRZSA-N 1 0 227.279 2.259 40 0 BEABRO [NH3+][C@H]1CCCN(Cc2ccc(F)c(Cl)c2)C1 ZINC000038539764 348704554 /nfs/dbraw/zinc/70/45/54/348704554.db2.gz HRMCIVGHTOIGPU-JTQLQIEISA-N 1 0 242.725 2.402 40 0 BEABRO Cc1ccc(F)cc1CN1CCC[C@H]([NH3+])C1 ZINC000038539896 348705247 /nfs/dbraw/zinc/70/52/47/348705247.db2.gz UICPTCGPPWEBMI-ZDUSSCGKSA-N 1 0 222.307 2.057 40 0 BEABRO [NH3+][C@@H]1CCN(Cc2c(F)cccc2Cl)C1 ZINC000038539022 348709569 /nfs/dbraw/zinc/70/95/69/348709569.db2.gz VOKNENBWHURHLP-MRVPVSSYSA-N 1 0 228.698 2.012 40 0 BEABRO C[NH+]1CCC(O)(c2ccc3[nH]ccc3c2)CC1 ZINC000002526993 187410514 /nfs/dbraw/zinc/41/05/14/187410514.db2.gz JMNMBGOOOAEWLE-UHFFFAOYSA-N 1 0 230.311 2.081 40 0 BEABRO Cc1ccccc1[C@@H](C[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000022163990 187419383 /nfs/dbraw/zinc/41/93/83/187419383.db2.gz KUIMRTKOXCKTBR-VNHYZAJKSA-N 1 0 248.370 2.104 40 0 BEABRO CCOc1ccccc1[C@H](C[NH3+])N1CCCC1 ZINC000038827625 349262559 /nfs/dbraw/zinc/26/25/59/349262559.db2.gz UULLOOXUMWEQLK-ZDUSSCGKSA-N 1 0 234.343 2.181 40 0 BEABRO Cc1ccc2[nH]c(C[NH2+]C(C)C)nc2c1 ZINC000022122043 350083663 /nfs/dbraw/zinc/08/36/63/350083663.db2.gz QNHKSYLPJPAIIN-UHFFFAOYSA-N 1 0 203.289 2.369 40 0 BEABRO Cc1[nH+]cc2c(Br)cccn12 ZINC000107212116 180176590 /nfs/dbraw/zinc/17/65/90/180176590.db2.gz XDJPKFOZOPGWJM-UHFFFAOYSA-N 1 0 211.062 2.405 40 0 BEABRO O=C(CC[C@H]1CCC[NH2+]C1)N1CCCCCC1 ZINC000036757346 259412177 /nfs/dbraw/zinc/41/21/77/259412177.db2.gz ZYCBNXGIMKDWHW-CYBMUJFWSA-N 1 0 238.375 2.169 40 0 BEABRO CCOc1ccc(-c2c[nH+]c(N)n2C)cc1 ZINC000000873796 350347002 /nfs/dbraw/zinc/34/70/02/350347002.db2.gz LBIXWRSZNOJKDR-UHFFFAOYSA-N 1 0 217.272 2.068 40 0 BEABRO [NH3+][C@H]1CCN(Cc2cccc(Cl)c2F)C1 ZINC000038538795 362959730 /nfs/dbraw/zinc/95/97/30/362959730.db2.gz MCIVKGZPSIQNBW-VIFPVBQESA-N 1 0 228.698 2.012 40 0 BEABRO [NH3+][C@@H]1CCCN(Cc2cccc(Cl)c2)C1 ZINC000038539617 362965691 /nfs/dbraw/zinc/96/56/91/362965691.db2.gz AEUIQDMQUUXQBB-GFCCVEGCSA-N 1 0 224.735 2.263 40 0 BEABRO Cn1c(N)[nH+]cc1-c1ccc(Cl)cc1 ZINC000000873780 350777601 /nfs/dbraw/zinc/77/76/01/350777601.db2.gz BAOMGQNIXYVJKU-UHFFFAOYSA-N 1 0 207.664 2.323 40 0 aggregator BEABRO C[NH2+]C[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000256050827 351033747 /nfs/dbraw/zinc/03/37/47/351033747.db2.gz GQOXRGPBNSWUJQ-GHMZBOCLSA-N 1 0 242.363 2.241 40 0 BEABRO Clc1ccc(OCC2=[NH+]CCN2)cc1Cl ZINC000000001435 180584029 /nfs/dbraw/zinc/58/40/29/180584029.db2.gz FVHAONUKSUFJKN-UHFFFAOYSA-N 1 0 245.109 2.374 40 0 in-man BEABRO C1=CC2=CC=C[C@@H](CC3=[NH+]CCN3)[C@H]2C=C1 ZINC000021983098 188109496 /nfs/dbraw/zinc/10/94/96/188109496.db2.gz ZJSGEQUSOJAXBX-STQMWFEESA-N 1 0 212.296 2.233 40 0 BEABRO C[NH+]1CCC(O)(c2cccc(Cl)c2)CC1 ZINC000038953171 188109783 /nfs/dbraw/zinc/10/97/83/188109783.db2.gz BLBPQYXWLFOJCX-UHFFFAOYSA-N 1 0 225.719 2.253 40 0 BEABRO C(C1CCCC1)N1CC[C@]12CCC[NH2+]C2 ZINC000096050967 188147601 /nfs/dbraw/zinc/14/76/01/188147601.db2.gz NUMRPODUOKMLBI-ZDUSSCGKSA-N 1 0 208.349 2.005 40 0 BEABRO CC(C)[C@H]1CC[C@@H](C)C[C@]1(O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000263584194 188192967 /nfs/dbraw/zinc/19/29/67/188192967.db2.gz LWULXJSEMSUKBR-JSLGZRHDSA-N 1 0 237.387 2.275 40 0 BEABRO Cc1c(-c2ccccc2F)[nH+]c(N)n1C ZINC000199559962 188176846 /nfs/dbraw/zinc/17/68/46/188176846.db2.gz QWRCJRCHAGYJAT-UHFFFAOYSA-N 1 0 205.236 2.117 40 0 BEABRO CC(C)([NH3+])c1ccc(OC(F)F)cc1 ZINC000037934560 188470434 /nfs/dbraw/zinc/47/04/34/188470434.db2.gz ZIQRTADVNUAERV-UHFFFAOYSA-N 1 0 201.216 2.482 40 0 BEABRO CC(C)(C)n1nccc1[C@H]1CCC[NH2+]C1 ZINC000075869865 188492044 /nfs/dbraw/zinc/49/20/44/188492044.db2.gz ALGBEHHQUQHNGO-JTQLQIEISA-N 1 0 207.321 2.105 40 0 BEABRO NC(=[NH2+])[C@@H](O)c1cccc(Oc2ccccc2)c1 ZINC000001439134 181192818 /nfs/dbraw/zinc/19/28/18/181192818.db2.gz WFWFPRKLEYPTBE-ZDUSSCGKSA-N 1 0 242.278 2.448 40 0 BEABRO NC(=[NH2+])c1ccc(Br)cc1Cl ZINC000126450912 181194362 /nfs/dbraw/zinc/19/43/62/181194362.db2.gz DWTNSBXAMQKMPP-UHFFFAOYSA-N 1 0 233.496 2.387 40 0 BEABRO NC(=[NH2+])c1cccnc1Oc1ccccc1 ZINC000019475759 181195815 /nfs/dbraw/zinc/19/58/15/181195815.db2.gz BUFGYRHROUHOAZ-UHFFFAOYSA-N 1 0 213.240 2.158 40 0 BEABRO [NH3+]Cc1ccc(F)c(F)c1Br ZINC000215932238 355616650 /nfs/dbraw/zinc/61/66/50/355616650.db2.gz NXCVBNKFPKLJQF-UHFFFAOYSA-N 1 0 222.032 2.186 40 0 BEABRO [NH3+]C[C@@H](F)c1cccc(Br)c1 ZINC000211947961 356320233 /nfs/dbraw/zinc/32/02/33/356320233.db2.gz CWAHHQSCBWJANH-MRVPVSSYSA-N 1 0 218.069 2.418 40 0 BEABRO Clc1ccc(COC[C@@H]2CCC[NH2+]C2)cn1 ZINC000040434925 357022994 /nfs/dbraw/zinc/02/29/94/357022994.db2.gz MIMOJGOVRFUORH-SNVBAGLBSA-N 1 0 240.734 2.251 40 0 BEABRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2C)c1 ZINC000061799039 538782629 /nfs/dbraw/zinc/78/26/29/538782629.db2.gz IJKQMSYACZBDOL-GFCCVEGCSA-N 1 0 221.300 2.471 40 0 BEABRO Cc1nn(C)cc1C[NH2+]Cc1cccc(F)c1 ZINC000020349146 357339563 /nfs/dbraw/zinc/33/95/63/357339563.db2.gz PMUFIBPZCQERNT-UHFFFAOYSA-N 1 0 233.290 2.157 40 0 BEABRO CC(C)c1ccc([C@@H]2C[NH2+]C[C@@H]2CO)cc1 ZINC000396889101 357871269 /nfs/dbraw/zinc/87/12/69/357871269.db2.gz WPBFLTJXKXQYSU-KGLIPLIRSA-N 1 0 219.328 2.105 40 0 BEABRO Cn1c2ccccc2[n+]2c1-c1ccccc1C2 ZINC000026919510 358025380 /nfs/dbraw/zinc/02/53/80/358025380.db2.gz QRUXZVRZRORCPS-UHFFFAOYSA-N 1 0 221.283 2.495 40 0 BEABRO CC(C)(C)OC(=O)NC(C)(C)C(C)(C)[NH3+] ZINC000202807710 360338217 /nfs/dbraw/zinc/33/82/17/360338217.db2.gz XESYPBHHGHNDEQ-UHFFFAOYSA-N 1 0 216.325 2.027 40 0 BEABRO NC(=S)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000085389685 181319620 /nfs/dbraw/zinc/31/96/20/181319620.db2.gz MUHTUDCIEHZSHX-UHFFFAOYSA-N 1 0 249.383 2.328 40 0 BEABRO CC(C)Oc1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC000072211881 259525449 /nfs/dbraw/zinc/52/54/49/259525449.db2.gz MOGGOPROCNNQJW-NSHDSACASA-N 1 0 206.289 2.293 40 0 BEABRO c1cc(NC2CC2)ncc1[C@H]1CCC[NH2+]1 ZINC000072213761 259526877 /nfs/dbraw/zinc/52/68/77/259526877.db2.gz IRQXRYADAAELTH-LLVKDONJSA-N 1 0 203.289 2.080 40 0 BEABRO C=Cc1ccc(N2CC[NH+](CC)CC2)nc1C ZINC000072224684 259533316 /nfs/dbraw/zinc/53/33/16/259533316.db2.gz FKPDGGZOBOJPAF-UHFFFAOYSA-N 1 0 231.343 2.175 40 0 BEABRO [NH3+]CCN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000032553285 181392363 /nfs/dbraw/zinc/39/23/63/181392363.db2.gz YVAKHIJWMQLKHA-LBPRGKRZSA-N 1 0 224.735 2.436 40 0 BEABRO [NH3+]CCc1ncc(-c2ccc3c(c2)CCC3)o1 ZINC000036162022 181414108 /nfs/dbraw/zinc/41/41/08/181414108.db2.gz IQALLERGYOAGRQ-UHFFFAOYSA-N 1 0 228.295 2.332 40 0 BEABRO Cc1c[nH]c([C@@H]2CC[N@H+](Cc3ccncc3)C2)n1 ZINC000205694731 368358734 /nfs/dbraw/zinc/35/87/34/368358734.db2.gz ZDDBLBDIIDRJRV-CYBMUJFWSA-N 1 0 242.326 2.103 40 0 BEABRO [NH3+]C[C@]1(CO)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000062713453 181468756 /nfs/dbraw/zinc/46/87/56/181468756.db2.gz UBDQFPICMKRFMH-KWQFWETISA-N 1 0 246.137 2.418 40 0 BEABRO [NH3+]C[C@]1(CO)C[C@H]1c1ccc(Cl)cc1Cl ZINC000062713466 181469643 /nfs/dbraw/zinc/46/96/43/181469643.db2.gz RGVYVANDZZIXKK-ONGXEEELSA-N 1 0 246.137 2.418 40 0 BEABRO COc1ccc(OC)c([C@@H]2C[C@@H]2[C@H](C)[NH3+])c1 ZINC000108019093 369372302 /nfs/dbraw/zinc/37/23/02/369372302.db2.gz DPZMVJPIWKFHMT-JMJZKYOTSA-N 1 0 221.300 2.155 40 0 BEABRO COc1ccccc1N1CC[NH2+][C@H]2CCCC[C@@H]21 ZINC000225712891 259540677 /nfs/dbraw/zinc/54/06/77/259540677.db2.gz BMMDBEJVFDAXMM-STQMWFEESA-N 1 0 246.354 2.416 40 0 BEABRO CC(=O)N1CCCC[C@@H]1CC[C@@H]1CCCC[NH2+]1 ZINC000252497314 370062438 /nfs/dbraw/zinc/06/24/38/370062438.db2.gz QDLPLRVGHSLZQZ-UONOGXRCSA-N 1 0 238.375 2.310 40 0 BEABRO CN1[C@@H]2CCCC[C@H]2[N@@H+](C)[C@H]2CCCC[C@H]21 ZINC000115070490 370620458 /nfs/dbraw/zinc/62/04/58/370620458.db2.gz LODHMOLPIMTBHV-SYQHCUMBSA-N 1 0 222.376 2.486 40 0 BEABRO [NH3+][C@H]1CCN(Cc2ccc(Cl)c(F)c2)C1 ZINC000038538923 181652139 /nfs/dbraw/zinc/65/21/39/181652139.db2.gz DQDWSEZPVNIQON-VIFPVBQESA-N 1 0 228.698 2.012 40 0 BEABRO CC[NH+]1CCN(Cc2ccc([S-])cc2)CC1 ZINC000095738734 371338460 /nfs/dbraw/zinc/33/84/60/371338460.db2.gz HHLKCJPUYZAYGB-UHFFFAOYSA-N 1 0 236.384 2.113 40 0 BEABRO C[C@H]1C[C@H]2[C@@H](C[C@@H](C(F)(F)F)C[C@@H]2[NH3+])O1 ZINC000225763203 371575083 /nfs/dbraw/zinc/57/50/83/371575083.db2.gz DXOFCJWXXLMFIJ-VRGHQRLXSA-N 1 0 223.238 2.080 40 0 BEABRO CC(C)c1cc(C(C)C)c(C[NH3+])c(=O)[nH]1 ZINC000225816551 371580073 /nfs/dbraw/zinc/58/00/73/371580073.db2.gz PBAVWRXBBLMLOT-UHFFFAOYSA-N 1 0 208.305 2.080 40 0 BEABRO C[C@@H](O[C@@H]1CC[NH2+]C1)c1cnccc1Cl ZINC000252497802 259548231 /nfs/dbraw/zinc/54/82/31/259548231.db2.gz QQODXIPCGBFVFU-RKDXNWHRSA-N 1 0 226.707 2.175 40 0 BEABRO COc1ccccc1N1CC[NH2+][C@H]2CCC[C@H]21 ZINC000218844176 372160058 /nfs/dbraw/zinc/16/00/58/372160058.db2.gz MRRFDVJNTZLNCG-NWDGAFQWSA-N 1 0 232.327 2.026 40 0 BEABRO CCOC(=O)CC1[C@@H](C)[C@@H](C)[NH2+][C@@H](C)[C@@H]1C ZINC000016951761 170198003 /nfs/dbraw/zinc/19/80/03/170198003.db2.gz KZLXDLZVUUMHCG-HJWVFBQESA-N 1 0 227.348 2.208 40 0 BEABRO O=C1c2ccccc2CC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000019375176 182846068 /nfs/dbraw/zinc/84/60/68/182846068.db2.gz HDNRBVRWENYZLC-CHWSQXEVSA-N 1 0 215.296 2.184 40 0 BEABRO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000043367778 183215327 /nfs/dbraw/zinc/21/53/27/183215327.db2.gz YVSFZFJTNXEQJG-NSHDSACASA-N 1 0 245.244 2.186 40 0 BEABRO O[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000061709115 183239956 /nfs/dbraw/zinc/23/99/56/183239956.db2.gz LKFUGDILXFUNLB-NSHDSACASA-N 1 0 245.244 2.272 40 0 BEABRO O[C@H]1C[NH2+]CC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000003080603 183245213 /nfs/dbraw/zinc/24/52/13/183245213.db2.gz GRVSNFYUBFPYMK-QWRGUYRKSA-N 1 0 245.244 2.143 40 0 BEABRO O[C@]12CCCC[C@H]1C[N@H+](Cc1ccccn1)CC2 ZINC000019401594 183253218 /nfs/dbraw/zinc/25/32/18/183253218.db2.gz RPRHYUWMVLXVKX-ZFWWWQNUSA-N 1 0 246.354 2.209 40 0 BEABRO O[C@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC000004262559 183232213 /nfs/dbraw/zinc/23/22/13/183232213.db2.gz YJLQAIUYPBPBBG-KBPBESRZSA-N 1 0 219.328 2.327 40 0 BEABRO c1cc(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)ccn1 ZINC000169726641 183336597 /nfs/dbraw/zinc/33/65/97/183336597.db2.gz QRUUFAHTAAXEIC-YHWZYXNKSA-N 1 0 202.301 2.155 40 0 BEABRO CCC[NH2+]Cc1cc(-c2ccco2)n(C)n1 ZINC000072226277 169266061 /nfs/dbraw/zinc/26/60/61/169266061.db2.gz GPTFHVATNPOJLA-UHFFFAOYSA-N 1 0 219.288 2.180 40 0 BEABRO CCC[NH2+]Cc1cccn1CCCOC ZINC000085583581 169268352 /nfs/dbraw/zinc/26/83/52/169268352.db2.gz CKWYTJOGMKYJJW-UHFFFAOYSA-N 1 0 210.321 2.024 40 0 BEABRO c1ccc(CN(C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000079437978 183396490 /nfs/dbraw/zinc/39/64/90/183396490.db2.gz FBLJWEZDOUIJOT-AWEZNQCLSA-N 1 0 216.328 2.013 40 0 BEABRO c1ccc(CN(C[C@@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000079437981 183397688 /nfs/dbraw/zinc/39/76/88/183397688.db2.gz AXIKROJKPGHWDS-AWEZNQCLSA-N 1 0 230.355 2.403 40 0 BEABRO c1ccc(Cc2cnc([C@H]3CCC[NH2+]3)cn2)cc1 ZINC000072384558 183410243 /nfs/dbraw/zinc/41/02/43/183410243.db2.gz VSKYTHVZPNDWSY-CQSZACIVSA-N 1 0 239.322 2.492 40 0 BEABRO c1ccc([C@H]2CO[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000306125779 183433447 /nfs/dbraw/zinc/43/34/47/183433447.db2.gz DBXZIYYRNBVLBF-KGLIPLIRSA-N 1 0 217.312 2.313 40 0 BEABRO CC(C)[N@H+](CCO)Cc1cccc(F)c1 ZINC000049825835 383819639 /nfs/dbraw/zinc/81/96/39/383819639.db2.gz NYIDRYXWMCUUMM-UHFFFAOYSA-N 1 0 211.280 2.028 40 0 BEABRO CCN(CC[NH+]1CCCCC1)c1ccccn1 ZINC000001602368 383913244 /nfs/dbraw/zinc/91/32/44/383913244.db2.gz BEIQEUUTCSNRIA-UHFFFAOYSA-N 1 0 233.359 2.394 40 0 BEABRO CC(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000001717760 383927712 /nfs/dbraw/zinc/92/77/12/383927712.db2.gz OTICEGQZKVSVIB-CQSZACIVSA-N 1 0 233.311 2.214 40 0 BEABRO CCN(CC[NH3+])Cc1cccc(C(F)(F)F)c1 ZINC000041160372 383904349 /nfs/dbraw/zinc/90/43/49/383904349.db2.gz IOSUHEZDNUMYDA-UHFFFAOYSA-N 1 0 246.276 2.486 40 0 BEABRO [NH3+]C[C@H](c1ccc(F)c(F)c1)N1CCCCC1 ZINC000022167655 383984551 /nfs/dbraw/zinc/98/45/51/383984551.db2.gz LFQMPKMMYCOMEV-CYBMUJFWSA-N 1 0 240.297 2.451 40 0 BEABRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089157305 383938882 /nfs/dbraw/zinc/93/88/82/383938882.db2.gz NYPPQRSVUJQKTO-VHSXEESVSA-N 1 0 228.336 2.029 40 0 BEABRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089157307 383939336 /nfs/dbraw/zinc/93/93/36/383939336.db2.gz NYPPQRSVUJQKTO-NXEZZACHSA-N 1 0 228.336 2.029 40 0 BEABRO [NH3+][C@@H](Cc1ccccc1)C(=O)c1ccccc1 ZINC000090624143 384066300 /nfs/dbraw/zinc/06/63/00/384066300.db2.gz FLVSDXZOBZUNOB-AWEZNQCLSA-N 1 0 225.291 2.439 40 0 BEABRO CC(=O)[C@H](C[n+]1ccccc1)c1ccccc1 ZINC000005883726 384134521 /nfs/dbraw/zinc/13/45/21/384134521.db2.gz LMKHOPSGBATRQV-HNNXBMFYSA-N 1 0 226.299 2.347 40 0 BEABRO CCN(C(=O)OCc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000079437773 384146701 /nfs/dbraw/zinc/14/67/01/384146701.db2.gz USBGEPBAMFJQED-ZDUSSCGKSA-N 1 0 248.326 2.007 40 0 BEABRO C[C@H](CN1CC[NH2+]C[C@H]1C)c1ccccc1 ZINC000071978858 384191926 /nfs/dbraw/zinc/19/19/26/384191926.db2.gz PFCGFSCWLYDURJ-CHWSQXEVSA-N 1 0 218.344 2.084 40 0 BEABRO [NH3+]Cc1cn(Cc2ccc(Cl)cc2)cn1 ZINC000071524059 384232316 /nfs/dbraw/zinc/23/23/16/384232316.db2.gz NVPCBOCKXJIBHA-UHFFFAOYSA-N 1 0 221.691 2.044 40 0 BEABRO C[NH+]1CCC(O)(c2cc(F)cc(Cl)c2)CC1 ZINC000079030382 384264155 /nfs/dbraw/zinc/26/41/55/384264155.db2.gz JYBLKPSLBQWBGR-UHFFFAOYSA-N 1 0 243.709 2.392 40 0 BEABRO CCC[C@@]12CCC(=O)N1[C@H]1CCCC[C@@H]1[NH2+]2 ZINC000009937024 384264935 /nfs/dbraw/zinc/26/49/35/384264935.db2.gz HFBNSQOMCGXKBX-GVXVVHGQSA-N 1 0 222.332 2.020 40 0 BEABRO CSc1ccc(C2(O)CC[NH+](C)CC2)cc1 ZINC000079030458 384265390 /nfs/dbraw/zinc/26/53/90/384265390.db2.gz PSSZLBLWDXKLMG-UHFFFAOYSA-N 1 0 237.368 2.322 40 0 BEABRO CC[C@H](C[NH3+])n1nc(C)c(Cl)c1C ZINC000012398195 384317686 /nfs/dbraw/zinc/31/76/86/384317686.db2.gz RZDSLZVVZSCLAD-MRVPVSSYSA-N 1 0 201.701 2.063 40 0 BEABRO [NH3+][C@@H]1CCCC[C@@H]1NCc1ccccc1 ZINC000095775701 384395049 /nfs/dbraw/zinc/39/50/49/384395049.db2.gz LATNVBUKYCPGPI-OLZOCXBDSA-N 1 0 204.317 2.046 40 0 BEABRO C[C@]12C[C@@H](c3ccccc3)[NH2+][C@H]1CCCC(=O)N2 ZINC000095951591 384419269 /nfs/dbraw/zinc/41/92/69/384419269.db2.gz RGEHQABPLPRTNT-YDHLFZDLSA-N 1 0 244.338 2.148 40 0 BEABRO Cc1nc(C[N@@H+]2CC[C@]3(CCOC3)C2)cs1 ZINC000096051046 384428828 /nfs/dbraw/zinc/42/88/28/384428828.db2.gz NYWZIRJVGCONDF-LBPRGKRZSA-N 1 0 238.356 2.064 40 0 BEABRO Cc1nc(C[N@@H+]2CC[C@@]3(CCOC3)C2)cs1 ZINC000096051047 384430290 /nfs/dbraw/zinc/43/02/90/384430290.db2.gz NYWZIRJVGCONDF-GFCCVEGCSA-N 1 0 238.356 2.064 40 0 BEABRO COc1ccc(C[C@H]2C[N@@H+](C)CC[C@H]2OC)cc1 ZINC000096110267 384435901 /nfs/dbraw/zinc/43/59/01/384435901.db2.gz JTUOXRAFRPPPHU-DZGCQCFKSA-N 1 0 249.354 2.204 40 0 BEABRO c1coc(CN2CC[C@H]3[C@H]2CC[N@H+]3CC2CC2)c1 ZINC000096184391 384440052 /nfs/dbraw/zinc/44/00/52/384440052.db2.gz FPALAYLYOXKNNG-LSDHHAIUSA-N 1 0 246.354 2.338 40 0 BEABRO CC(C)C(=O)N1c2ccccc2[C@@H]2C[NH2+]CC[C@H]21 ZINC000096157345 384440546 /nfs/dbraw/zinc/44/05/46/384440546.db2.gz XNQMDFBAIYVBRB-GXTWGEPZSA-N 1 0 244.338 2.135 40 0 BEABRO C[C@@H](CC(N)=O)[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000096486257 384461091 /nfs/dbraw/zinc/46/10/91/384461091.db2.gz IBTZBNVEJUCUQT-COPLHBTASA-N 1 0 246.354 2.479 40 0 BEABRO Cc1ccc(C2(O)CC[NH+](C)CC2)cc1F ZINC000079030428 384480141 /nfs/dbraw/zinc/48/01/41/384480141.db2.gz BSKZWOVALPAOFE-UHFFFAOYSA-N 1 0 223.291 2.047 40 0 BEABRO c1csc(Cc2nc([C@H]3CCC[NH2+]3)no2)c1 ZINC000070947252 384483305 /nfs/dbraw/zinc/48/33/05/384483305.db2.gz TTXVDQDGPWEYMY-SECBINFHSA-N 1 0 235.312 2.146 40 0 BEABRO c1ccc2c(c1)CC[NH2+][C@@H]2c1cccnc1 ZINC000019624618 384527347 /nfs/dbraw/zinc/52/73/47/384527347.db2.gz PQUCZQQPRMLVLB-CQSZACIVSA-N 1 0 210.280 2.317 40 0 BEABRO CCCn1cccc1C[NH2+]CCCOC ZINC000085608490 384543675 /nfs/dbraw/zinc/54/36/75/384543675.db2.gz KALQVBQRUWBJBG-UHFFFAOYSA-N 1 0 210.321 2.024 40 0 BEABRO Cc1cc(C(N)=[NH2+])c(Br)cc1F ZINC000199752380 384538577 /nfs/dbraw/zinc/53/85/77/384538577.db2.gz IIDPIGATQORKRO-UHFFFAOYSA-N 1 0 231.068 2.181 40 0 BEABRO c1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)[NH2+]C3)cc1 ZINC000020286456 384609239 /nfs/dbraw/zinc/60/92/39/384609239.db2.gz JDYIDFQYKVUYEK-GJZGRUSLSA-N 1 0 230.355 2.261 40 0 BEABRO C[C@H](NC(=O)[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000082306118 384663596 /nfs/dbraw/zinc/66/35/96/384663596.db2.gz KPIJBNIEQKRTLM-GXTWGEPZSA-N 1 0 246.354 2.206 40 0 BEABRO [NH3+]Cc1ccc2[nH]ccc2c1Br ZINC000082360984 384674081 /nfs/dbraw/zinc/67/40/81/384674081.db2.gz NFWIKEVEZYYCJJ-UHFFFAOYSA-N 1 0 225.089 2.389 40 0 BEABRO [NH3+][C@H]1CC[C@H](N2Cc3c(cccc3F)C2=O)CC1 ZINC000100806965 384653957 /nfs/dbraw/zinc/65/39/57/384653957.db2.gz ZCJCMWFBXQXBSJ-AOOOYVTPSA-N 1 0 248.301 2.051 40 0 BEABRO CC(C)(C)Cc1noc(C2CC[NH2+]CC2)n1 ZINC000082673370 384700922 /nfs/dbraw/zinc/70/09/22/384700922.db2.gz KPLWPLMCLMWGPE-UHFFFAOYSA-N 1 0 223.320 2.125 40 0 BEABRO CCN(CC)c1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000062494917 384781348 /nfs/dbraw/zinc/78/13/48/384781348.db2.gz GVMVJVUMXASALG-QWHCGFSZSA-N 1 0 204.317 2.347 40 0 BEABRO CC[C@@H](C(=O)N1CC[NH2+]C[C@@H]1C)c1ccccc1 ZINC000054369890 384837006 /nfs/dbraw/zinc/83/70/06/384837006.db2.gz OSAXFPZZSDMGBO-GXTWGEPZSA-N 1 0 246.354 2.001 40 0 BEABRO CO[C@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000062711444 384853327 /nfs/dbraw/zinc/85/33/27/384853327.db2.gz SZLGUFFPYGMAFW-SECBINFHSA-N 1 0 219.206 2.352 40 0 BEABRO Cc1ccc(CN2CCCC[C@H]2C[NH3+])cc1F ZINC000096320095 384914929 /nfs/dbraw/zinc/91/49/29/384914929.db2.gz YSUGNFZYKJKBSM-ZDUSSCGKSA-N 1 0 236.334 2.447 40 0 BEABRO CC[C@H](C)c1noc([C@H]2CCC[NH2+]C2)n1 ZINC000057340784 384938870 /nfs/dbraw/zinc/93/88/70/384938870.db2.gz LIRWVCGSRVEEHM-IUCAKERBSA-N 1 0 209.293 2.050 40 0 BEABRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072208702 385060866 /nfs/dbraw/zinc/06/08/66/385060866.db2.gz UHURVYQOXPFTNJ-ZJUUUORDSA-N 1 0 228.336 2.123 40 0 BEABRO O=C(CC[C@@H]1CCC[NH2+]1)Nc1ccccc1 ZINC000072208140 385060873 /nfs/dbraw/zinc/06/08/73/385060873.db2.gz ZFRPSSIORAVKLI-NSHDSACASA-N 1 0 218.300 2.157 40 0 BEABRO CC[N@@H+]1CCC[C@H]1c1cccnc1NC ZINC000072212528 385074682 /nfs/dbraw/zinc/07/46/82/385074682.db2.gz LNAQVJAURCUJIK-NSHDSACASA-N 1 0 205.305 2.280 40 0 BEABRO CNc1ccc([C@@H]2CCCC[N@@H+]2C)cn1 ZINC000072212490 385075135 /nfs/dbraw/zinc/07/51/35/385075135.db2.gz NFOIKXZXEDCPEF-NSHDSACASA-N 1 0 205.305 2.280 40 0 BEABRO CC(C)C[N@@H+]1CCC[C@H]1c1cccnc1N ZINC000072212422 385075409 /nfs/dbraw/zinc/07/54/09/385075409.db2.gz HHMXSNMTRRKTPH-LBPRGKRZSA-N 1 0 219.332 2.457 40 0 BEABRO CCC[N@@H+]1CCC[C@@H]1c1ccc[nH]c1=O ZINC000072212307 385076668 /nfs/dbraw/zinc/07/66/68/385076668.db2.gz HJUXTPOYTZAHRF-LLVKDONJSA-N 1 0 206.289 2.334 40 0 BEABRO CCCNc1ncccc1[C@@H]1CCC[NH2+]1 ZINC000072213116 385078468 /nfs/dbraw/zinc/07/84/68/385078468.db2.gz XCHRFGZPYMEFFY-NSHDSACASA-N 1 0 205.305 2.328 40 0 BEABRO CCCNc1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC000072213176 385078906 /nfs/dbraw/zinc/07/89/06/385078906.db2.gz BROUATNQNACHCI-NSHDSACASA-N 1 0 205.305 2.328 40 0 BEABRO O=CN1CCCC[C@H]1c1ccc(NC2CC2)nc1 ZINC000072213810 385081878 /nfs/dbraw/zinc/08/18/78/385081878.db2.gz ZUGBSDUQVKWXNU-ZDUSSCGKSA-N 1 0 245.326 2.339 40 0 BEABRO CCCNc1ncc(C[NH2+]CC(C)C)cn1 ZINC000062717692 385040954 /nfs/dbraw/zinc/04/09/54/385040954.db2.gz CVMBEOZERSKVSQ-UHFFFAOYSA-N 1 0 222.336 2.044 40 0 BEABRO CC(=O)N1CCC[C@@H]1c1cc(N(C)C)cc(C)[nH+]1 ZINC000072187633 385043185 /nfs/dbraw/zinc/04/31/85/385043185.db2.gz HZHVRRKLXOZQHE-CQSZACIVSA-N 1 0 247.342 2.139 40 0 BEABRO CC(C)[C@@H]([NH3+])c1nnc(-c2ccc(F)cc2)[nH]1 ZINC000095534693 385044843 /nfs/dbraw/zinc/04/48/43/385044843.db2.gz NTQMZAIAUCPJTP-SNVBAGLBSA-N 1 0 234.278 2.267 40 0 BEABRO CC[C@H]([NH3+])c1cnc(N2CCCC2)c(C)c1 ZINC000072222442 385109913 /nfs/dbraw/zinc/10/99/13/385109913.db2.gz MBXCDFKETHOOFO-LBPRGKRZSA-N 1 0 219.332 2.400 40 0 BEABRO c1cnc(N2CCCC2)c([C@@H]2CCCC[NH2+]2)c1 ZINC000072215994 385092458 /nfs/dbraw/zinc/09/24/58/385092458.db2.gz QFMSMNKEHZDNRW-ZDUSSCGKSA-N 1 0 231.343 2.496 40 0 BEABRO Cc1[nH]c(=S)ccc1[C@@H]1CCC[N@H+]1C ZINC000072218365 385099853 /nfs/dbraw/zinc/09/98/53/385099853.db2.gz SQHFUSWYIIBCTA-JTQLQIEISA-N 1 0 208.330 2.445 40 0 BEABRO CNc1ncc([C@@H]2CCCC[NH2+]2)cc1C ZINC000072218992 385105089 /nfs/dbraw/zinc/10/50/89/385105089.db2.gz ZERFZCSSQQKWBJ-NSHDSACASA-N 1 0 205.305 2.246 40 0 BEABRO COC(=O)[C@](C)(c1ccccc1)[NH+]1CCCC1 ZINC000085393483 385159336 /nfs/dbraw/zinc/15/93/36/385159336.db2.gz URPRBXXQUWMKRX-AWEZNQCLSA-N 1 0 233.311 2.171 40 0 BEABRO [NH3+]Cc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000062152747 385163278 /nfs/dbraw/zinc/16/32/78/385163278.db2.gz ROLMMAUMZSFHNM-UHFFFAOYSA-N 1 0 216.071 2.328 40 0 BEABRO C(c1noc(C2CCCC2)n1)C1CC[NH2+]CC1 ZINC000096511479 385253197 /nfs/dbraw/zinc/25/31/97/385253197.db2.gz UIIDWUNBEHIAPI-UHFFFAOYSA-N 1 0 235.331 2.269 40 0 BEABRO [NH3+][C@H]1CCCN(Cc2nccc3ccccc32)C1 ZINC000096523537 385266715 /nfs/dbraw/zinc/26/67/15/385266715.db2.gz RMBALCNGKRXBAM-ZDUSSCGKSA-N 1 0 241.338 2.158 40 0 BEABRO [NH3+][C@H]1CCN(Cc2cc(F)ccc2Cl)C1 ZINC000096523493 385268403 /nfs/dbraw/zinc/26/84/03/385268403.db2.gz JBZRJLBAMFLCAH-JTQLQIEISA-N 1 0 228.698 2.012 40 0 BEABRO [NH3+]CCn1nccc1-c1cccc(Cl)c1 ZINC000096527698 385272847 /nfs/dbraw/zinc/27/28/47/385272847.db2.gz JFZWSTNGTPGQHZ-UHFFFAOYSA-N 1 0 221.691 2.162 40 0 BEABRO Cn1cccc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193856448 385415558 /nfs/dbraw/zinc/41/55/58/385415558.db2.gz XTXGJDUMHJWIKD-GFCCVEGCSA-N 1 0 244.342 2.128 40 0 BEABRO Clc1cccc(CN2CC[C@@H]3O[C@@H]3C2)c1 ZINC000095097776 385449981 /nfs/dbraw/zinc/44/99/81/385449981.db2.gz GJWCZAAYXFCFHP-NWDGAFQWSA-N 1 0 223.703 2.313 40 0 BEABRO O=C(CC[C@@H]1CCC[NH2+]C1)Nc1ccccc1 ZINC000036757291 385469343 /nfs/dbraw/zinc/46/93/43/385469343.db2.gz JVVISZLPBNBADC-LBPRGKRZSA-N 1 0 232.327 2.405 40 0 BEABRO c1csc(-c2noc([C@H]3CCC[NH2+]3)n2)c1 ZINC000021798106 385705987 /nfs/dbraw/zinc/70/59/87/385705987.db2.gz KHEDIBFMQAAMSB-SSDOTTSWSA-N 1 0 221.285 2.223 40 0 BEABRO Nc1ncc(C[NH2+]C2CCCCCCC2)cn1 ZINC000062717388 385714652 /nfs/dbraw/zinc/71/46/52/385714652.db2.gz CFCVMNXOQTVBJZ-UHFFFAOYSA-N 1 0 234.347 2.261 40 0 BEABRO C(C[NH+]1CCCCCC1)c1nnc(C2CC2)[nH]1 ZINC000062719485 385728943 /nfs/dbraw/zinc/72/89/43/385728943.db2.gz SHXVCNDSOMSRLF-UHFFFAOYSA-N 1 0 234.347 2.101 40 0 BEABRO Cc1c[nH]c([C@H]2CCC[N@@H+](C3CCOCC3)C2)n1 ZINC000257207741 385752658 /nfs/dbraw/zinc/75/26/58/385752658.db2.gz BJAJGLCQKUNPEY-LBPRGKRZSA-N 1 0 249.358 2.077 40 0 BEABRO Cc1c[nH]nc1[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000257237854 385756331 /nfs/dbraw/zinc/75/63/31/385756331.db2.gz HIMTWKHQLQMUCM-CYBMUJFWSA-N 1 0 242.326 2.103 40 0 BEABRO CO[C@H]1C[N@@H+](C2CCCC2)CC[C@@]12CCCO2 ZINC000257262849 385757361 /nfs/dbraw/zinc/75/73/61/385757361.db2.gz LNEIGNDIQBXHAH-KBPBESRZSA-N 1 0 239.359 2.199 40 0 BEABRO Cc1cnc2[nH]c([C@H]3CCC[NH2+]C3)cc2c1 ZINC000257342517 385765218 /nfs/dbraw/zinc/76/52/18/385765218.db2.gz ZPAKTPDSHQMLBL-JTQLQIEISA-N 1 0 215.300 2.338 40 0 BEABRO Clc1ccc2c(c1)CCC[C@]21COCC[NH2+]1 ZINC000306145838 385993760 /nfs/dbraw/zinc/99/37/60/385993760.db2.gz RWXLCZJQDFCYHD-ZDUSSCGKSA-N 1 0 237.730 2.491 40 0 BEABRO Clc1ccc2c(c1)CCC[C@@]21COCC[NH2+]1 ZINC000306145837 385994024 /nfs/dbraw/zinc/99/40/24/385994024.db2.gz RWXLCZJQDFCYHD-CYBMUJFWSA-N 1 0 237.730 2.491 40 0 BEABRO CO[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCSC1 ZINC000096478625 385966057 /nfs/dbraw/zinc/96/60/57/385966057.db2.gz UDXPMZQHAYZHAC-MXWKQRLJSA-N 1 0 215.362 2.039 40 0 BEABRO C[NH2+][C@H](CO)c1c(Cl)cccc1Cl ZINC000038121200 386123853 /nfs/dbraw/zinc/12/38/53/386123853.db2.gz YPXNWLRSDRZHBJ-MRVPVSSYSA-N 1 0 220.099 2.246 40 0 BEABRO CCCC[NH2+]Cc1cccn1CCCOC ZINC000223678537 386092323 /nfs/dbraw/zinc/09/23/23/386092323.db2.gz CBDBDUZEDOSMLE-UHFFFAOYSA-N 1 0 224.348 2.414 40 0 BEABRO CC[C@H](C)n1ccc(C[NH2+]CCOC)c1 ZINC000223693247 386093759 /nfs/dbraw/zinc/09/37/59/386093759.db2.gz SRWPSQOWMWRNNO-NSHDSACASA-N 1 0 210.321 2.195 40 0 BEABRO CCc1ccc(C=O)n1-c1cc[nH+]cc1 ZINC000225302342 386185033 /nfs/dbraw/zinc/18/50/33/386185033.db2.gz SAAOUKCUDUBXHR-UHFFFAOYSA-N 1 0 200.241 2.247 40 0 BEABRO c1ccc2nc(NCC3CC[NH2+]CC3)cnc2c1 ZINC000044029862 386141408 /nfs/dbraw/zinc/14/14/08/386141408.db2.gz YPKYXQAQACFKHO-UHFFFAOYSA-N 1 0 242.326 2.041 40 0 BEABRO Fc1ccc([C@@H]2C[NH2+]C[C@@H]2c2cc[nH]n2)cc1 ZINC000098089134 386229238 /nfs/dbraw/zinc/22/92/38/386229238.db2.gz NVTPVMPVSIFJTR-RYUDHWBXSA-N 1 0 231.274 2.019 40 0 BEABRO Fc1cc(F)cc(N2CC[NH2+][C@@H]3CCC[C@H]32)c1 ZINC000218848026 386261993 /nfs/dbraw/zinc/26/19/93/386261993.db2.gz FOHMKEYMQWAYOY-CHWSQXEVSA-N 1 0 238.281 2.296 40 0 BEABRO Fc1ccc(N2CC[NH2+][C@H]3CCC[C@H]32)c(F)c1 ZINC000218848462 386262732 /nfs/dbraw/zinc/26/27/32/386262732.db2.gz DDGNWRZUMOVSQJ-WCQYABFASA-N 1 0 238.281 2.296 40 0 BEABRO [NH3+][C@H]1c2ccccc2-c2ccccc2NC1=O ZINC000065734217 386665103 /nfs/dbraw/zinc/66/51/03/386665103.db2.gz NIDGAHURPWFSKR-ZDUSSCGKSA-N 1 0 224.263 2.306 40 0 in-vitro BEABRO C[C@@H]1C[C@@]1(C[NH3+])[C@@H](O)c1cccc(Cl)c1 ZINC000216576256 386686060 /nfs/dbraw/zinc/68/60/60/386686060.db2.gz XBJANVHKFVLHTL-ZHAHWJHGSA-N 1 0 225.719 2.358 40 0 BEABRO C1=CC[C@@H]([C@H]2OC[C@H](C[NH+]3CCCC3)O2)CC1 ZINC000000520144 322809745 /nfs/dbraw/zinc/80/97/45/322809745.db2.gz DOIMBTOKESEEMG-RDBSUJKOSA-N 1 0 237.343 2.180 40 0 BEABRO O=C1CC2(CC[NH2+]CC2)c2c1cccc2F ZINC000084780263 387462658 /nfs/dbraw/zinc/46/26/58/387462658.db2.gz SDTUUEVYMZDLPY-UHFFFAOYSA-N 1 0 219.259 2.033 40 0 BEABRO Cc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)o1 ZINC000072324612 387648800 /nfs/dbraw/zinc/64/88/00/387648800.db2.gz UYQGLBTWCVURPF-YPMHNXCESA-N 1 0 234.343 2.257 40 0 BEABRO CCCC[C@H](CC)CNC(=O)C[NH2+]C1CC1 ZINC000040420337 387782166 /nfs/dbraw/zinc/78/21/66/387782166.db2.gz AEHONAGTEZYVND-NSHDSACASA-N 1 0 226.364 2.071 40 0 BEABRO Cc1ccc2c(c1)[C@H]1CCC[C@H]3[NH2+]CCN2[C@@H]13 ZINC000169619886 387847567 /nfs/dbraw/zinc/84/75/67/387847567.db2.gz GMKHTMHRPNKUFI-KYOSRNDESA-N 1 0 228.339 2.423 40 0 BEABRO FCCn1nccc1C[NH2+]Cc1ccccc1 ZINC000256050573 387858284 /nfs/dbraw/zinc/85/82/84/387858284.db2.gz FOWSWOHJQIOHGD-UHFFFAOYSA-N 1 0 233.290 2.142 40 0 BEABRO CCCC[NH2+]Cc1ccnn1C(F)F ZINC000256054554 387862356 /nfs/dbraw/zinc/86/23/56/387862356.db2.gz WUAMLJDMEOIFTB-UHFFFAOYSA-N 1 0 203.236 2.168 40 0 BEABRO Cc1c(F)cccc1C[N@@H+]1CCC[C@H](O)C1 ZINC000038539536 388373908 /nfs/dbraw/zinc/37/39/08/388373908.db2.gz AWVQVVMEUNBPQU-LBPRGKRZSA-N 1 0 223.291 2.091 40 0 BEABRO CCN(C(=O)OC(C)(C)C)[C@H]1C[NH2+]CC[C@H]1C ZINC000217677661 388379390 /nfs/dbraw/zinc/37/93/90/388379390.db2.gz WQWRYKRMRBWZLF-MNOVXSKESA-N 1 0 242.363 2.241 40 0 BEABRO CC(C)c1ccc([C@@H]2C[N@H+](C)C[C@H]2CO)cc1 ZINC000242592196 388399802 /nfs/dbraw/zinc/39/98/02/388399802.db2.gz OLZNQGPPDNVRMI-GJZGRUSLSA-N 1 0 233.355 2.448 40 0 BEABRO C[NH+](C)CC(C)(C)C(=O)c1ccccc1 ZINC000001733149 388586753 /nfs/dbraw/zinc/58/67/53/388586753.db2.gz WKJYCZMXCFRIEO-UHFFFAOYSA-N 1 0 205.301 2.457 40 0 BEABRO [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCc1cccs1 ZINC000218857436 388585582 /nfs/dbraw/zinc/58/55/82/388585582.db2.gz GTUUAWHXFFOHNE-VXGBXAGGSA-N 1 0 224.373 2.150 40 0 BEABRO Fc1cccc(-c2n[nH]c(C3CC[NH2+]CC3)n2)c1 ZINC000064875547 388671849 /nfs/dbraw/zinc/67/18/49/388671849.db2.gz DXCBTSGOWYCSNF-UHFFFAOYSA-N 1 0 246.289 2.078 40 0 BEABRO Fc1cccc2c1NCCC1(CC[NH2+]CC1)O2 ZINC000521396101 388672288 /nfs/dbraw/zinc/67/22/88/388672288.db2.gz XCWOLPMTJYYUTN-UHFFFAOYSA-N 1 0 236.290 2.142 40 0 BEABRO COC(=O)[C@@H](C(C)C)[N@@H+]1CCCC[C@H]1C ZINC000248232640 388675311 /nfs/dbraw/zinc/67/53/11/388675311.db2.gz LGVTXLWASYUXKR-GHMZBOCLSA-N 1 0 213.321 2.058 40 0 BEABRO C[N@@H+]1C[C@@H](CO)[C@@H](c2cccc3ccccc32)C1 ZINC000225608886 388623443 /nfs/dbraw/zinc/62/34/43/388623443.db2.gz ZNNSSQQNZDAPMD-BBRMVZONSA-N 1 0 241.334 2.477 40 0 BEABRO CC(C)(C)OC(=O)NC1([NH3+])CCCCC1 ZINC000035270206 388652176 /nfs/dbraw/zinc/65/21/76/388652176.db2.gz WRMGZHLPVAVXQO-UHFFFAOYSA-N 1 0 214.309 2.130 40 0 BEABRO C[C@H](O[C@@H]1CC[NH2+]C1)c1ccc(Cl)nc1 ZINC000252479944 388652258 /nfs/dbraw/zinc/65/22/58/388652258.db2.gz BQKOJNOSEHXUHY-WCBMZHEXSA-N 1 0 226.707 2.175 40 0 BEABRO CC(C)[C@H]([NH3+])CN1CC[C@H]2CCCC[C@H]2C1 ZINC000252470049 388652620 /nfs/dbraw/zinc/65/26/20/388652620.db2.gz SNFUJVJQOTZTSH-HZSPNIEDSA-N 1 0 224.392 2.482 40 0 BEABRO C[C@H](O[C@@H]1CC[NH2+]C1)c1cnccc1Cl ZINC000252497800 388653201 /nfs/dbraw/zinc/65/32/01/388653201.db2.gz QQODXIPCGBFVFU-DTWKUNHWSA-N 1 0 226.707 2.175 40 0 BEABRO C[C@H](O[C@H]1CC[NH2+]C1)c1cncc(Cl)c1 ZINC000252483217 388653235 /nfs/dbraw/zinc/65/32/35/388653235.db2.gz DXKABCCNKZTURV-KWQFWETISA-N 1 0 226.707 2.175 40 0 BEABRO CSc1ncc(C[NH2+]C2CCCC2)cn1 ZINC000062717204 388655862 /nfs/dbraw/zinc/65/58/62/388655862.db2.gz MTADJSCPJUKMLC-UHFFFAOYSA-N 1 0 223.345 2.231 40 0 BEABRO COc1ccccc1N1CC[NH2+][C@@H]2CCC[C@@H]21 ZINC000225716465 388840522 /nfs/dbraw/zinc/84/05/22/388840522.db2.gz MRRFDVJNTZLNCG-NEPJUHHUSA-N 1 0 232.327 2.026 40 0 BEABRO c1csc(CCN2CC[NH2+][C@H]3CCC[C@@H]32)c1 ZINC000225716157 388840680 /nfs/dbraw/zinc/84/06/80/388840680.db2.gz QAUPJZQIGTZSKP-STQMWFEESA-N 1 0 236.384 2.117 40 0 BEABRO Fc1ccc(N2CC[NH2+][C@@H]3CCC[C@@H]32)cc1F ZINC000225717800 388843005 /nfs/dbraw/zinc/84/30/05/388843005.db2.gz APKZMGFTMSSXLC-OLZOCXBDSA-N 1 0 238.281 2.296 40 0 BEABRO Cc1ccc(N2CC[NH2+][C@@H]3CCC[C@@H]32)cc1 ZINC000225716411 388874763 /nfs/dbraw/zinc/87/47/63/388874763.db2.gz JFPBLLFPDFWWMS-KGLIPLIRSA-N 1 0 216.328 2.326 40 0 BEABRO c1ccc(N2CC[NH2+][C@H]3CCC[C@H]32)cc1 ZINC000218843182 132290734 /nfs/dbraw/zinc/29/07/34/132290734.db2.gz IWLZDWNEKXPOPY-QWHCGFSZSA-N 1 0 202.301 2.017 40 0 BEABRO Clc1ccc2nc(N3CC[NH2+]CC3)ccc2c1 ZINC000002527450 132315226 /nfs/dbraw/zinc/31/52/26/132315226.db2.gz GSFXEINORRSYJW-UHFFFAOYSA-N 1 0 247.729 2.298 40 0 in-vivo BEABRO C[C@@H]1CN(c2c(N)cccc2Cl)C[C@@H](C)[NH2+]1 ZINC000008702461 132318959 /nfs/dbraw/zinc/31/89/59/132318959.db2.gz QCAINOAXOOQETG-RKDXNWHRSA-N 1 0 239.750 2.109 40 0 BEABRO c1ccc([C@H]2CN(c3cc[nH+]cc3)CCO2)nc1 ZINC000072356933 132396275 /nfs/dbraw/zinc/39/62/75/132396275.db2.gz MOHTYCXISXHIHB-CQSZACIVSA-N 1 0 241.294 2.055 40 0 BEABRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000408729189 133448666 /nfs/dbraw/zinc/44/86/66/133448666.db2.gz BDFAQKYUIBPFQG-ZDUSSCGKSA-N 1 0 218.344 2.465 40 0 BEABRO [NH3+]Cc1cn(-c2cccc(C(F)(F)F)c2)cn1 ZINC000095094092 397836790 /nfs/dbraw/zinc/83/67/90/397836790.db2.gz XNWSCAJBRIRZCB-UHFFFAOYSA-N 1 0 241.216 2.350 40 0 BEABRO CCN(CC)[C@H](C[NH3+])c1cc(F)ccc1F ZINC000037233443 397990640 /nfs/dbraw/zinc/99/06/40/397990640.db2.gz NYGAVQPQWVQGDN-GFCCVEGCSA-N 1 0 228.286 2.306 40 0 BEABRO c1csc(-c2nnc(C3CC[NH2+]CC3)[nH]2)c1 ZINC000054700170 398070844 /nfs/dbraw/zinc/07/08/44/398070844.db2.gz MTUCYSHYKGDIRW-UHFFFAOYSA-N 1 0 234.328 2.000 40 0 BEABRO [NH3+]C[C@@H]1CC(c2cccc3ccccc32)=NO1 ZINC000070434923 398130707 /nfs/dbraw/zinc/13/07/07/398130707.db2.gz BMEJFQMDLZEKEL-NSHDSACASA-N 1 0 226.279 2.292 40 0 BEABRO C[C@H]([NH3+])c1ncc(F)cc1Br ZINC000258838190 398131553 /nfs/dbraw/zinc/13/15/53/398131553.db2.gz VSNNQOZQHGWCKR-BYPYZUCNSA-N 1 0 219.057 2.003 40 0 BEABRO [NH3+][C@@H]1CCCC[C@@H]1NCc1ccccc1F ZINC000072411144 410027992 /nfs/dbraw/zinc/02/79/92/410027992.db2.gz BSEBPYRQKRQSIO-OLZOCXBDSA-N 1 0 222.307 2.185 40 0 BEABRO [NH3+][C@H]1CCCC[C@H]1NCc1cccc(F)c1 ZINC000072411154 410028232 /nfs/dbraw/zinc/02/82/32/410028232.db2.gz RZBAYURBQUDRQO-QWHCGFSZSA-N 1 0 222.307 2.185 40 0 BEABRO CC(C)C[NH2+]C[C@@H](C)C(=O)OC(C)(C)C ZINC000047219024 167004695 /nfs/dbraw/zinc/00/46/95/167004695.db2.gz YSMXRFSECCIZNS-SNVBAGLBSA-N 1 0 215.337 2.210 40 0 BEABRO CC(C)C[NH2+]C[C@H](C)C(=O)OC(C)(C)C ZINC000047219025 167006432 /nfs/dbraw/zinc/00/64/32/167006432.db2.gz YSMXRFSECCIZNS-JTQLQIEISA-N 1 0 215.337 2.210 40 0 BEABRO CC(C)C[NH2+]Cc1ccn(CC(C)C)n1 ZINC000080094994 167009915 /nfs/dbraw/zinc/00/99/15/167009915.db2.gz BZINEPQVZVWZJZ-UHFFFAOYSA-N 1 0 209.337 2.285 40 0 BEABRO CC(C)[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072203601 167115468 /nfs/dbraw/zinc/11/54/68/167115468.db2.gz AWYSTTQBDWOKLF-LLVKDONJSA-N 1 0 242.363 2.384 40 0 BEABRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C[C@@H](C)[S@](C)=O ZINC000097099005 168101335 /nfs/dbraw/zinc/10/13/35/168101335.db2.gz DTHDAAIEJBGXJU-BRXULGCHSA-N 1 0 243.416 2.335 40 0 BEABRO c1nn(C2CCCC2)cc1C[NH2+]C[C@H]1CCCO1 ZINC000256049483 411380001 /nfs/dbraw/zinc/38/00/01/411380001.db2.gz ADJDQJOXWWFBKW-CQSZACIVSA-N 1 0 249.358 2.267 40 0 BEABRO CC1CC(C[NH3+])([C@@H](O)c2ccc(F)cc2)C1 ZINC000085395996 168139242 /nfs/dbraw/zinc/13/92/42/168139242.db2.gz SNDARHVLHCJIOP-YHECAPGISA-N 1 0 223.291 2.234 40 0 BEABRO CCC(C)(C)OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000028295253 168303391 /nfs/dbraw/zinc/30/33/91/168303391.db2.gz ZNLDNTBPYCJILD-ZDUSSCGKSA-N 1 0 243.391 2.429 40 0 BEABRO CCN1CC[C@@]12CC[N@H+](CCc1ccccc1)C2 ZINC000096075907 170013643 /nfs/dbraw/zinc/01/36/43/170013643.db2.gz ZQOAVMWMIOCHFC-MRXNPFEDSA-N 1 0 244.382 2.399 40 0 BEABRO CC[N@@H+]1CC[C@@]12CCN(Cc1ccccc1F)C2 ZINC000096090184 170014436 /nfs/dbraw/zinc/01/44/36/170014436.db2.gz BSECRFUCVOVEKD-OAHLLOKOSA-N 1 0 248.345 2.496 40 0 BEABRO CC[NH2+]Cc1cccc(OC(F)F)c1 ZINC000034816344 170128023 /nfs/dbraw/zinc/12/80/23/170128023.db2.gz ATTPDULVXKHPLQ-UHFFFAOYSA-N 1 0 201.216 2.398 40 0 BEABRO CC[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000037755490 170128625 /nfs/dbraw/zinc/12/86/25/170128625.db2.gz REHWZMJVCQGZTQ-UHFFFAOYSA-N 1 0 215.243 2.440 40 0 BEABRO CC[NH2+]Cc1cn(C2CCCC2)nc1C ZINC000040538533 170129653 /nfs/dbraw/zinc/12/96/53/170129653.db2.gz MFGKOCUEEBWDQJ-UHFFFAOYSA-N 1 0 207.321 2.416 40 0 BEABRO CC[NH2+][C@H](C)C(=O)c1ccc(C)c(C)c1 ZINC000041608570 170156825 /nfs/dbraw/zinc/15/68/25/170156825.db2.gz AOXOTNQJKCPNGK-LLVKDONJSA-N 1 0 205.301 2.484 40 0 in-vitro BEABRO CC[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000038418565 170166599 /nfs/dbraw/zinc/16/65/99/170166599.db2.gz PAQAPNMIMNVLJD-ZDUSSCGKSA-N 1 0 248.326 2.007 40 0 BEABRO CCOC(=O)CCC[NH2+]Cc1ccccc1 ZINC000013997976 170203041 /nfs/dbraw/zinc/20/30/41/170203041.db2.gz SPOUHRALSDBNCQ-UHFFFAOYSA-N 1 0 221.300 2.120 40 0 BEABRO CCOC(=O)CC[NH2+]Cc1ccc(C)cc1 ZINC000036984791 170209497 /nfs/dbraw/zinc/20/94/97/170209497.db2.gz MLHHWTOXCOIUAX-UHFFFAOYSA-N 1 0 221.300 2.038 40 0 BEABRO CCOC(=O)N1c2ccccc2[C@@H]2C[NH2+]CC[C@H]21 ZINC000096157350 170240497 /nfs/dbraw/zinc/24/04/97/170240497.db2.gz ZNIPMYCKODECLL-WCQYABFASA-N 1 0 246.310 2.109 40 0 BEABRO CCOC(=O)[C@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC000082299882 170281061 /nfs/dbraw/zinc/28/10/61/170281061.db2.gz VRIDQIGLSYHFCH-STQMWFEESA-N 1 0 233.311 2.290 40 0 BEABRO CCOC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000037625070 170295273 /nfs/dbraw/zinc/29/52/73/170295273.db2.gz CURSTNCORLJENK-UHFFFAOYSA-N 1 0 225.288 2.298 40 0 BEABRO CCOC1(C(F)(F)F)CCC([NH3+])CC1 ZINC000095095626 170318082 /nfs/dbraw/zinc/31/80/82/170318082.db2.gz YSBOKRFGJYINKH-UHFFFAOYSA-N 1 0 211.227 2.225 40 0 BEABRO CCOc1ccc(-c2cc(CC[NH3+])no2)cc1 ZINC000072220697 170530788 /nfs/dbraw/zinc/53/07/88/170530788.db2.gz BDANDMXYEBMYJR-UHFFFAOYSA-N 1 0 232.283 2.242 40 0 BEABRO CC[C@@H](C)n1nccc1C[NH2+]C[C@H]1CCCO1 ZINC000256051100 170811037 /nfs/dbraw/zinc/81/10/37/170811037.db2.gz HSCYJSXBRXJCHC-DGCLKSJQSA-N 1 0 237.347 2.123 40 0 BEABRO CC[C@@H]1Cc2ccc(OCC[NH+](C)C)cc2C1=O ZINC000004777918 171144148 /nfs/dbraw/zinc/14/41/48/171144148.db2.gz BPUDGFCZEXQFIV-LLVKDONJSA-N 1 0 247.338 2.392 40 0 BEABRO CCn1c2ccc(Cl)cc2nc1C[NH3+] ZINC000037440347 172144366 /nfs/dbraw/zinc/14/43/66/172144366.db2.gz CUKJFEOGLUNINW-UHFFFAOYSA-N 1 0 209.680 2.168 40 0 BEABRO CCn1c(C[NH2+]C)nc2cc(Cl)ccc21 ZINC000037440434 172144596 /nfs/dbraw/zinc/14/45/96/172144596.db2.gz SCOPSDJKEGLEGA-UHFFFAOYSA-N 1 0 223.707 2.429 40 0 BEABRO CCn1c(CC[NH3+])nc2cccc(Cl)c21 ZINC000037443881 172144676 /nfs/dbraw/zinc/14/46/76/172144676.db2.gz WHLAUPFCDFCFRO-UHFFFAOYSA-N 1 0 223.707 2.211 40 0 BEABRO CCn1cc(C[NH2+]Cc2cccs2)cn1 ZINC000020351205 172172054 /nfs/dbraw/zinc/17/20/54/172172054.db2.gz XSOWVJJELHBSCB-UHFFFAOYSA-N 1 0 221.329 2.254 40 0 BEABRO CCn1cccc1-c1noc(C2CC[NH2+]CC2)n1 ZINC000096531607 172203565 /nfs/dbraw/zinc/20/35/65/172203565.db2.gz UJSZDRLYDUTGIJ-UHFFFAOYSA-N 1 0 246.314 2.025 40 0 BEABRO CCn1ncc(C)c1C[NH2+]CCCOC(C)C ZINC000256051860 172254604 /nfs/dbraw/zinc/25/46/04/172254604.db2.gz KUBNWSPHJYFCHI-UHFFFAOYSA-N 1 0 239.363 2.116 40 0 BEABRO C[NH+](C)[C@H](CO)c1ccc(Br)cc1 ZINC000041289838 172534535 /nfs/dbraw/zinc/53/45/35/172534535.db2.gz OIJVEXUHXYKDPI-SNVBAGLBSA-N 1 0 244.132 2.044 40 0 BEABRO CN(C)c1ccc(-c2cccc[n+]2C)cc1 ZINC000001623360 172548179 /nfs/dbraw/zinc/54/81/79/172548179.db2.gz KSRGFGIVEQGNKY-UHFFFAOYSA-N 1 0 213.304 2.244 40 0 BEABRO C[NH+]1CCC2(CC1)COCc1ccccc12 ZINC000001869813 173001194 /nfs/dbraw/zinc/00/11/94/173001194.db2.gz LEPFMVWNSAYAHT-UHFFFAOYSA-N 1 0 217.312 2.180 40 0 BEABRO C[NH+]1CCC2(Cc3ccccc3O2)CC1 ZINC000016698339 173003417 /nfs/dbraw/zinc/00/34/17/173003417.db2.gz BZZCGYHKQRWOCM-UHFFFAOYSA-N 1 0 203.285 2.086 40 0 BEABRO C[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000034300805 173023046 /nfs/dbraw/zinc/02/30/46/173023046.db2.gz AAWGPUXIHPRTHQ-SNVBAGLBSA-N 1 0 215.300 2.372 40 0 BEABRO C[N@@H+]1CCC[C@@]12CCCN(Cc1ccco1)C2 ZINC000096214678 173039934 /nfs/dbraw/zinc/03/99/34/173039934.db2.gz ZQJVTRPCCHAGGU-AWEZNQCLSA-N 1 0 234.343 2.340 40 0 BEABRO C[N@@H+]1CC[C@H](Cc2ccnc(Cl)c2)C1 ZINC000205699844 173146496 /nfs/dbraw/zinc/14/64/96/173146496.db2.gz AKJURBGTIUHRNC-SNVBAGLBSA-N 1 0 210.708 2.229 40 0 BEABRO C[NH2+]CCCNc1cc[nH+]c2ccccc12 ZINC000222676115 173349722 /nfs/dbraw/zinc/34/97/22/173349722.db2.gz WPOBYMGYWUNUHO-UHFFFAOYSA-N 1 0 215.300 2.256 40 0 BEABRO C[NH2+]C[C@@H]1C[C@@H]1c1cccc(OC)c1OC ZINC000054588716 173371503 /nfs/dbraw/zinc/37/15/03/173371503.db2.gz VGQQRYRFCGMFFP-ONGXEEELSA-N 1 0 221.300 2.027 40 0 BEABRO C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072207664 173417772 /nfs/dbraw/zinc/41/77/72/173417772.db2.gz XAMKXROYRZILBP-WDEREUQCSA-N 1 0 242.363 2.384 40 0 BEABRO C[NH2+][C@@H]1CCCC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC000079437586 173431234 /nfs/dbraw/zinc/43/12/34/173431234.db2.gz SSLOSKCKBZUWFU-MNOVXSKESA-N 1 0 242.363 2.384 40 0 BEABRO COCCC[NH2+][C@H](C)c1cccc(OC)c1 ZINC000020142437 174250125 /nfs/dbraw/zinc/25/01/25/174250125.db2.gz UUPAPDXVQJLLFQ-LLVKDONJSA-N 1 0 223.316 2.382 40 0 BEABRO COc1cc(/C=C/c2cc[n+](C)cc2)ccc1O ZINC000001603409 174940656 /nfs/dbraw/zinc/94/06/56/174940656.db2.gz KSBMSWVXSULCLG-UHFFFAOYSA-O 1 0 242.298 2.396 40 0 BEABRO COc1ccc(OC)c([C@H](C[NH3+])OC(C)C)c1 ZINC000062711758 175168765 /nfs/dbraw/zinc/16/87/65/175168765.db2.gz SJSCPCODLNQNHM-ZDUSSCGKSA-N 1 0 239.315 2.129 40 0 BEABRO COc1ccc([C@@H](C[NH3+])OC(C)C)cc1OC ZINC000062711779 175178553 /nfs/dbraw/zinc/17/85/53/175178553.db2.gz IUFYYRDYOIAOTO-CYBMUJFWSA-N 1 0 239.315 2.129 40 0 BEABRO COc1ccc([C@@H]2CCC[NH2+]C2)cc1F ZINC000038539159 175182900 /nfs/dbraw/zinc/18/29/00/175182900.db2.gz BHMIZWOGDWEVOB-SNVBAGLBSA-N 1 0 209.264 2.301 40 0 BEABRO COc1ccc([C@H](C)N[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000218886881 175189527 /nfs/dbraw/zinc/18/95/27/175189527.db2.gz GFXBIRRVJPEUAA-LEWSCRJBSA-N 1 0 234.343 2.226 40 0 BEABRO COc1ccc2c(c1)[nH+]c(C)c(C)c2N ZINC000095534959 175204745 /nfs/dbraw/zinc/20/47/45/175204745.db2.gz AFGHUVKZCJJWES-UHFFFAOYSA-N 1 0 202.257 2.442 40 0 BEABRO COc1ccc2c(N)c(C(C)=O)c(C)[nH+]c2c1 ZINC000014291087 175204965 /nfs/dbraw/zinc/20/49/65/175204965.db2.gz DBVQTLYLYQZSIY-UHFFFAOYSA-N 1 0 230.267 2.337 40 0 BEABRO COc1ccc2cc(C[NH3+])c(Cl)nc2c1 ZINC000089261647 175224480 /nfs/dbraw/zinc/22/44/80/175224480.db2.gz ILISNQDCBTXJAT-UHFFFAOYSA-N 1 0 222.675 2.356 40 0 BEABRO COc1cccc(C)c1[C@@H](O)C[C@@H]1CCC[NH2+]1 ZINC000001569340 175248389 /nfs/dbraw/zinc/24/83/89/175248389.db2.gz MNGMPKYYSAWCQH-RYUDHWBXSA-N 1 0 235.327 2.179 40 0 BEABRO COc1cccc([C@H](C)O[C@H]2CC[NH2+]C2)c1 ZINC000096529887 175294402 /nfs/dbraw/zinc/29/44/02/175294402.db2.gz GUMLMPMDKMAAMN-GWCFXTLKSA-N 1 0 221.300 2.135 40 0 BEABRO COc1ccccc1N[C@H]1CCCC[C@@H]1[NH3+] ZINC000218857962 175338951 /nfs/dbraw/zinc/33/89/51/175338951.db2.gz HKMJGMFSZBIRSZ-QWRGUYRKSA-N 1 0 220.316 2.377 40 0 BEABRO C[C@@H](O[C@@H]1CC[NH2+]C1)c1ccccc1F ZINC000096529864 176003460 /nfs/dbraw/zinc/00/34/60/176003460.db2.gz JOAPWZVBSXWBCB-NXEZZACHSA-N 1 0 209.264 2.265 40 0 BEABRO C[C@@H]1C[NH2+]CCN1Cc1ccc(F)cc1Cl ZINC000054374214 176326928 /nfs/dbraw/zinc/32/69/28/176326928.db2.gz NFRRRKMQJRIWNP-SECBINFHSA-N 1 0 242.725 2.273 40 0 BEABRO C[C@H](c1ccc(F)cc1)N(CC[NH3+])C1CC1 ZINC000079421288 177033860 /nfs/dbraw/zinc/03/38/60/177033860.db2.gz HYZGUTPQKMUOHQ-SNVBAGLBSA-N 1 0 222.307 2.310 40 0 BEABRO C[C@H]1[C@H]([N@H+](C)C2CC[NH2+]CC2)CCC[C@@H]1C ZINC000032917455 177120096 /nfs/dbraw/zinc/12/00/96/177120096.db2.gz RQQVPELTBHOUKM-OUCADQQQSA-N 1 0 224.392 2.495 40 0 BEABRO C[C@H]1CC[C@H]([NH2+]C[C@@]2(O)CCSC2)[C@@H](C)C1 ZINC000195560720 177205333 /nfs/dbraw/zinc/20/53/33/177205333.db2.gz UOVYKBYSDHCBEG-CYDGBPFRSA-N 1 0 243.416 2.269 40 0 BEABRO C[C@H]1C[N@H+](C)CC[C@]12Cc1ccccc1O2 ZINC000309405182 177233531 /nfs/dbraw/zinc/23/35/31/177233531.db2.gz VKECLJQIARTGLQ-FZMZJTMJSA-N 1 0 217.312 2.332 40 0 BEABRO C[C@H]1CN(Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC000068692368 177262537 /nfs/dbraw/zinc/26/25/37/177262537.db2.gz BVFGCQJZABXITQ-JTQLQIEISA-N 1 0 224.735 2.134 40 0 BEABRO C[C@H]1CN(Cc2ccccc2Cl)CC[NH2+]1 ZINC000071531942 177266052 /nfs/dbraw/zinc/26/60/52/177266052.db2.gz VWPNHKQITQZVIG-JTQLQIEISA-N 1 0 224.735 2.134 40 0 BEABRO C[C@H]1C[NH2+]CCN1Cc1ccc(F)cc1Cl ZINC000054374216 177284147 /nfs/dbraw/zinc/28/41/47/177284147.db2.gz NFRRRKMQJRIWNP-VIFPVBQESA-N 1 0 242.725 2.273 40 0 BEABRO C[C@H](c1ccccc1)N1CC[NH2+]C[C@@H]1C ZINC000107052092 177284877 /nfs/dbraw/zinc/28/48/77/177284877.db2.gz OPHHITNORRLRPQ-NWDGAFQWSA-N 1 0 204.317 2.041 40 0 BEABRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@]1(O)c1ccccc1 ZINC000003901851 177353001 /nfs/dbraw/zinc/35/30/01/177353001.db2.gz CTKBMLDLEZVLNP-DYEKYZERSA-N 1 0 219.328 2.234 40 0 BEABRO Cc1c(Cl)cccc1CN1CC[C@H]([NH3+])C1 ZINC000038538743 177600647 /nfs/dbraw/zinc/60/06/47/177600647.db2.gz CQYPPCNVXYQXDQ-NSHDSACASA-N 1 0 224.735 2.181 40 0 BEABRO CN(C)C(=O)C[C@H](c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000072208322 262721979 /nfs/dbraw/zinc/72/19/79/262721979.db2.gz GMIWDRXKQPCEEO-ZIAGYGMSSA-N 1 0 246.354 2.001 40 0 BEABRO Cc1ccc(CN2CC[NH2+][C@H]3CCC[C@H]32)cc1 ZINC000218841260 323086517 /nfs/dbraw/zinc/08/65/17/323086517.db2.gz SEBNHSQPYQEASB-LSDHHAIUSA-N 1 0 230.355 2.321 40 0 BEABRO Clc1ccccc1CNC[C@@H]1CCC[NH2+]C1 ZINC000072202907 487994822 /nfs/dbraw/zinc/99/48/22/487994822.db2.gz MTIUEAPWQNCULQ-LLVKDONJSA-N 1 0 238.762 2.429 40 0 BEABRO COc1ccc2c(c1)CCC[C@]21CC[NH2+]1 ZINC000084179071 525523528 /nfs/dbraw/zinc/52/35/28/525523528.db2.gz HYNZVFUZJDJRNU-ZDUSSCGKSA-N 1 0 203.285 2.220 40 0 BEABRO Cc1c(Br)cccc1C(N)=[NH2+] ZINC000148761872 525525269 /nfs/dbraw/zinc/52/52/69/525525269.db2.gz JPTMEZGUKXWUBX-UHFFFAOYSA-N 1 0 213.078 2.042 40 0 BEABRO Fc1cccc(-c2nnc([C@@H]3CCC[NH2+]3)o2)c1 ZINC000039956187 526381725 /nfs/dbraw/zinc/38/17/25/526381725.db2.gz QUSCFOOCOBSXCL-JTQLQIEISA-N 1 0 233.246 2.300 40 0 BEABRO [NH2+]=C(Cc1cc(F)cc(C(F)(F)F)c1)NO ZINC000228914680 526816773 /nfs/dbraw/zinc/81/67/73/526816773.db2.gz QTGUYKJELIOQFP-UHFFFAOYSA-N 1 0 236.168 2.343 40 0 BEABRO [NH3+]C1c2cc(O)ccc2-c2ccc(O)cc21 ZINC000225746927 527147666 /nfs/dbraw/zinc/14/76/66/527147666.db2.gz MCLZMAPCAPIOIJ-UHFFFAOYSA-N 1 0 213.236 2.126 40 0 BEABRO Cn1cc(Cc2ccc(Cl)cc2)[nH+]c1N ZINC000199550927 527236610 /nfs/dbraw/zinc/23/66/10/527236610.db2.gz YCISZMQBHCJYJH-UHFFFAOYSA-N 1 0 221.691 2.247 40 0 BEABRO CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000148754569 1166696514 /nfs/dbraw/zinc/69/65/14/1166696514.db2.gz WFNGGMDLHFWFRK-UWVGGRQHSA-N 1 0 228.336 2.029 40 0 BEABRO CC(C)(C)OC(=O)NCC12CC([NH3+])(C1)CCC2 ZINC000575623976 1168339429 /nfs/dbraw/zinc/33/94/29/1168339429.db2.gz IDLXYRRAJDINAX-UHFFFAOYSA-N 1 0 240.347 2.173 40 0 BEABRO [NH3+]CC(CCO)c1ccc(Cl)c(Cl)c1 ZINC001560407519 991468178 /nfs/dbraw/zinc/46/81/78/991468178.db2.gz KFHAYORFCQWRMS-UHFFFAOYSA-N 1 0 233.118 2.257 40 0 BEABRO c1cc2c3c(c1)[C@H]1CCCC1CN3CC[NH2+]C2 ZINC001560406097 991469914 /nfs/dbraw/zinc/46/99/14/991469914.db2.gz QUICZZVVHJQDAN-ZDUSSCGKSA-N 1 0 227.331 2.452 40 0 BEABRO CCCCCCOCCNc1cc[nH+]c(N)n1 ZINC000001670190 136207176 /nfs/dbraw/zinc/20/71/76/136207176.db2.gz KXKYPTLDDVECKI-UHFFFAOYSA-N 1 0 238.335 2.068 40 0 BEABRO CC(C)(C)OC(=O)N[C@@H]1CCC12CC[NH2+]CC2 ZINC000071373381 398147848 /nfs/dbraw/zinc/14/78/48/398147848.db2.gz MWGPVHPVWMHJMP-SNVBAGLBSA-N 1 0 240.347 2.043 40 0 BEABRO c1nc(C[NH2+]C2CC2)cn1Cc1ccccc1 ZINC000232457073 398181039 /nfs/dbraw/zinc/18/10/39/398181039.db2.gz SUWGWAROJQZLGH-UHFFFAOYSA-N 1 0 227.311 2.183 40 0 BEABRO Cc1cc(F)ccc1CN1CCC[C@@H]([NH3+])C1 ZINC000038539804 178084753 /nfs/dbraw/zinc/08/47/53/178084753.db2.gz XIMFMHZBZINZPV-CYBMUJFWSA-N 1 0 222.307 2.057 40 0 BEABRO Cc1cc([C@@H](O)C[NH2+]C(C)(C)C)ccc1O ZINC000083308759 178238847 /nfs/dbraw/zinc/23/88/47/178238847.db2.gz GELQRPHSNNCPNQ-LBPRGKRZSA-N 1 0 223.316 2.122 40 0 BEABRO Cc1ccc(-c2nnc([C@@H]([NH3+])C(C)C)[nH]2)cc1 ZINC000095534785 178336007 /nfs/dbraw/zinc/33/60/07/178336007.db2.gz FTJJOVHIWRMMRZ-NSHDSACASA-N 1 0 230.315 2.436 40 0 BEABRO Cc1ccc(-n2cccc2[C@@H](C[NH3+])N(C)C)cc1 ZINC000019795649 178347792 /nfs/dbraw/zinc/34/77/92/178347792.db2.gz GVYFUQYXVRJSPF-OAHLLOKOSA-N 1 0 243.354 2.347 40 0 BEABRO Cc1ccc(-c2cnn(CCC[NH3+])c2)cc1 ZINC000049815878 178329509 /nfs/dbraw/zinc/32/95/09/178329509.db2.gz UULBTBIRYGZKSA-UHFFFAOYSA-N 1 0 215.300 2.207 40 0 BEABRO C[NH+](C)[C@@H](CO)c1ccccc1C(F)(F)F ZINC000070453361 259313843 /nfs/dbraw/zinc/31/38/43/259313843.db2.gz OKZBZJBHUQDSAB-JTQLQIEISA-N 1 0 233.233 2.300 40 0 BEABRO NNc1[nH+]ccc2c(Br)cccc21 ZINC000072206994 259314842 /nfs/dbraw/zinc/31/48/42/259314842.db2.gz ALLCCIJVYTYISB-UHFFFAOYSA-N 1 0 238.088 2.283 40 0 BEABRO CCOC(=O)CC1([NH2+]C2CC2)CCCC1 ZINC000072210235 259316388 /nfs/dbraw/zinc/31/63/88/259316388.db2.gz QCJMNWRRDWOLNQ-UHFFFAOYSA-N 1 0 211.305 2.004 40 0 BEABRO Cc1ccc(NC(=O)C2CC[NH+](C)CC2)cc1 ZINC000001594703 342704798 /nfs/dbraw/zinc/70/47/98/342704798.db2.gz MRRCKOQSHOIXLG-UHFFFAOYSA-N 1 0 232.327 2.275 40 0 BEABRO CC[NH+](CC)CCOc1ccc(O)cc1 ZINC000001651884 342707169 /nfs/dbraw/zinc/70/71/69/342707169.db2.gz BIIUMCSUBSRPPR-UHFFFAOYSA-N 1 0 209.289 2.113 40 0 BEABRO CC[C@](O)(CC[NH+](C)C)c1ccccc1 ZINC000001656388 342707197 /nfs/dbraw/zinc/70/71/97/342707197.db2.gz SNVUWIFPJAVATJ-ZDUSSCGKSA-N 1 0 207.317 2.236 40 0 BEABRO CC(C)C(=O)[C@@H](CC[NH+](C)C)c1ccccn1 ZINC000001675592 342708297 /nfs/dbraw/zinc/70/82/97/342708297.db2.gz PNLVBCYMNFQAOQ-LBPRGKRZSA-N 1 0 234.343 2.342 40 0 BEABRO CCOc1ccc([C@@H]2CCC[N@@H+]2C)cn1 ZINC000072211764 259317506 /nfs/dbraw/zinc/31/75/06/259317506.db2.gz VXSBBWMXJVGDCY-NSHDSACASA-N 1 0 206.289 2.247 40 0 BEABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]c1 ZINC000072212257 259317521 /nfs/dbraw/zinc/31/75/21/259317521.db2.gz BNOMTBWRTXVTRI-LLVKDONJSA-N 1 0 206.289 2.334 40 0 BEABRO CCCO[C@H](C)c1ccc([C@H]([NH3+])CO)cc1 ZINC000072220200 259318622 /nfs/dbraw/zinc/31/86/22/259318622.db2.gz DFXQALFMJDURLV-ZWNOBZJWSA-N 1 0 223.316 2.166 40 0 BEABRO C[N@H+]1CC=C(c2ccc3n[nH]cc3c2)CC1 ZINC000002526952 342722629 /nfs/dbraw/zinc/72/26/29/342722629.db2.gz XMNMKECUETVISF-UHFFFAOYSA-N 1 0 213.284 2.282 40 0 BEABRO CC[NH+](CC)CCOC(=O)C1CCCCC1 ZINC000003160735 342731113 /nfs/dbraw/zinc/73/11/13/342731113.db2.gz QFDHRTTYUFRFCS-UHFFFAOYSA-N 1 0 227.348 2.452 40 0 BEABRO O=C1CCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC000005119404 342758542 /nfs/dbraw/zinc/75/85/42/342758542.db2.gz KWRGIFDKCLUXGK-GFCCVEGCSA-N 1 0 203.285 2.145 40 0 BEABRO COc1ccc([C@H](C[NH3+])OC(C)C)cc1 ZINC000042963191 342785700 /nfs/dbraw/zinc/78/57/00/342785700.db2.gz YPVZCFMFGCSBKK-LBPRGKRZSA-N 1 0 209.289 2.120 40 0 BEABRO CC[C@H]([NH3+])c1ccc(N(CC)CC)nc1 ZINC000072225264 259322402 /nfs/dbraw/zinc/32/24/02/259322402.db2.gz QXNQUNJBCNERFR-NSHDSACASA-N 1 0 207.321 2.338 40 0 BEABRO CCCN1c2ccccc2CC[C@@H]1C[NH3+] ZINC000060394255 398296056 /nfs/dbraw/zinc/29/60/56/398296056.db2.gz UCLZWKXAZZUQPM-GFCCVEGCSA-N 1 0 204.317 2.177 40 0 BEABRO [NH3+][C@@H](c1cnc2c(c1)CCCC2)C1CC1 ZINC000242718346 259326071 /nfs/dbraw/zinc/32/60/71/259326071.db2.gz XKSOMGULYBKXJJ-CYBMUJFWSA-N 1 0 202.301 2.370 40 0 BEABRO C[C@@H]([NH2+]C(C)(C)C)C(=O)c1ccc2c(c1)OCO2 ZINC000219444438 342870510 /nfs/dbraw/zinc/87/05/10/342870510.db2.gz BFOZYEAQPUMNIY-SECBINFHSA-N 1 0 249.310 2.375 40 0 in-vitro BEABRO COc1cccc(N2CC[NH2+][C@@H]3CCC[C@H]32)c1 ZINC000218844280 398328816 /nfs/dbraw/zinc/32/88/16/398328816.db2.gz WXARDROQBJKFJM-ZIAGYGMSSA-N 1 0 232.327 2.026 40 0 BEABRO C[C@H]([NH3+])[C@H]1C[C@@H]1c1ccc(N(C)C)cc1 ZINC000020594533 342992140 /nfs/dbraw/zinc/99/21/40/342992140.db2.gz VTBIATVXDXCNEC-ZWKOPEQDSA-N 1 0 204.317 2.203 40 0 BEABRO CCN(Cc1cccc(C)c1)C(=O)[C@@H]([NH3+])C(C)C ZINC000037808637 343312652 /nfs/dbraw/zinc/31/26/52/343312652.db2.gz MYQSCLWCHYPRSW-AWEZNQCLSA-N 1 0 248.370 2.327 40 0 BEABRO [NH3+][C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000037381417 343344385 /nfs/dbraw/zinc/34/43/85/343344385.db2.gz QOLIRVSGYNYCCI-SFYZADRCSA-N 1 0 217.190 2.400 40 0 BEABRO COC(=O)C[C@@H](C)[NH2+]CCCc1ccccc1 ZINC000037719579 343352284 /nfs/dbraw/zinc/35/22/84/343352284.db2.gz PNEJKAQZERIXJR-GFCCVEGCSA-N 1 0 235.327 2.160 40 0 BEABRO CN(C)[C@@H]1[C@H]([NH+](C)C)[C@H]2CC[C@]1(C)C2(C)C ZINC000039738148 343391929 /nfs/dbraw/zinc/39/19/29/343391929.db2.gz WWHMPEUSLLXFGZ-BYNQJWBRSA-N 1 0 224.392 2.303 40 0 BEABRO COc1cc(C)c(Br)cc1C[NH3+] ZINC000083825938 343676137 /nfs/dbraw/zinc/67/61/37/343676137.db2.gz NOXVPQUXGHASPG-UHFFFAOYSA-N 1 0 230.105 2.225 40 0 BEABRO CCCC[C@@H](CC)C[N@@H+]1CCNC[C@@H]1C ZINC000054374671 343658512 /nfs/dbraw/zinc/65/85/12/343658512.db2.gz CTEYDSHQPCHLCV-QWHCGFSZSA-N 1 0 212.381 2.497 40 0 BEABRO CN(C)[C@H](C[NH3+])c1ccccc1OC(F)(F)F ZINC000022166796 343915885 /nfs/dbraw/zinc/91/58/85/343915885.db2.gz MRAGMSWPIKGTOJ-SECBINFHSA-N 1 0 248.248 2.147 40 0 BEABRO Cc1ccc(C[NH+]2CCC([NH3+])CC2)cc1C ZINC000011729471 344651108 /nfs/dbraw/zinc/65/11/08/344651108.db2.gz BOYAVUGQBCFCSC-UHFFFAOYSA-N 1 0 218.344 2.227 40 0 BEABRO Cc1ccc(N2CC[C@@H]([NH3+])C2)cc1Cl ZINC000033427016 178713796 /nfs/dbraw/zinc/71/37/96/178713796.db2.gz VDWJKKWVORJVSP-SECBINFHSA-N 1 0 210.708 2.186 40 0 BEABRO [NH3+]Cc1cnn([C@@H]2C[C@@H]2c2ccc(F)cc2)c1 ZINC000514264585 344908107 /nfs/dbraw/zinc/90/81/07/344908107.db2.gz KOZJAARUXDZAIJ-CHWSQXEVSA-N 1 0 231.274 2.210 40 0 BEABRO Cc1ccc2c(c1)[nH]c1c2CN(C)CC1 ZINC000000055147 345774938 /nfs/dbraw/zinc/77/49/38/345774938.db2.gz KMOQRWCHESCPKL-UHFFFAOYSA-N 1 0 200.285 2.464 40 0 BEABRO Cc1ccc2nc(NCC[NH3+])c(C)cc2c1 ZINC000013998658 178978500 /nfs/dbraw/zinc/97/85/00/178978500.db2.gz LXOQYPNKYCSPDK-UHFFFAOYSA-N 1 0 215.300 2.222 40 0 BEABRO Cc1cccc(C(=O)NCC[NH+]2CCCCC2)c1 ZINC000016349098 179017046 /nfs/dbraw/zinc/01/70/46/179017046.db2.gz RNWLSUAMZXXLNI-UHFFFAOYSA-N 1 0 246.354 2.211 40 0 BEABRO CC(C)(C)OC[C@@H](O)C[NH2+]C1CCCCC1 ZINC000007636343 346294442 /nfs/dbraw/zinc/29/44/42/346294442.db2.gz GCKSLZXHJMZOTL-LBPRGKRZSA-N 1 0 229.364 2.085 40 0 BEABRO Cc1cccc(C[N@H+]2CC[C@H]3C[C@@H](C)O[C@@H]3C2)n1 ZINC000096046233 179081575 /nfs/dbraw/zinc/08/15/75/179081575.db2.gz GDUVXQZJDDWPBZ-VNHYZAJKSA-N 1 0 246.354 2.389 40 0 BEABRO Cc1cccc(COC[C@@]23CCC[C@@H]2C[NH2+]C3)n1 ZINC000096109301 179103337 /nfs/dbraw/zinc/10/33/37/179103337.db2.gz MJRRCRNFHHXCHT-HIFRSBDPSA-N 1 0 246.354 2.296 40 0 BEABRO Cc1cccc(N(C)C(=O)[C@@H]2CCC[NH2+]2)c1C ZINC000077364196 179112213 /nfs/dbraw/zinc/11/22/13/179112213.db2.gz NNMYWNSPCQBDNH-LBPRGKRZSA-N 1 0 232.327 2.018 40 0 BEABRO Cc1nn(C)cc1C[NH2+]CCc1ccccc1 ZINC000020312145 187370862 /nfs/dbraw/zinc/37/08/62/187370862.db2.gz FFOSCTDFBZWIQK-UHFFFAOYSA-N 1 0 229.327 2.061 40 0 BEABRO COc1cncc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000096311756 347279859 /nfs/dbraw/zinc/27/98/59/347279859.db2.gz YJDLBBCPTCGFQS-CLYYMRHHSA-N 1 0 218.300 2.088 40 0 BEABRO CCN(CC)CC[NH2+]Cc1ccc(OC)cc1 ZINC000019919134 347317549 /nfs/dbraw/zinc/31/75/49/347317549.db2.gz KYQIKEMNTQNCTB-UHFFFAOYSA-N 1 0 236.359 2.127 40 0 BEABRO Cc1ccccc1CCN1CCCC[C@@H]1C[NH3+] ZINC000096523604 179263764 /nfs/dbraw/zinc/26/37/64/179263764.db2.gz KTCQBOGFTLESBB-OAHLLOKOSA-N 1 0 232.371 2.351 40 0 BEABRO c1cc([C@@H]2CCCC[N@@H+]2C2CCOCC2)n[nH]1 ZINC000205701063 348577946 /nfs/dbraw/zinc/57/79/46/348577946.db2.gz FKZSPYBZLWPCSO-ZDUSSCGKSA-N 1 0 235.331 2.116 40 0 BEABRO CNc1nc([C@]2(C)CCC[NH2+]C2)cn2cccc12 ZINC000205694455 348576174 /nfs/dbraw/zinc/57/61/74/348576174.db2.gz AOIYOUVHDIUUAD-CQSZACIVSA-N 1 0 244.342 2.017 40 0 BEABRO Cc1ccc(C[NH+]2CCC(O)CC2)cc1C ZINC000038539651 348703026 /nfs/dbraw/zinc/70/30/26/348703026.db2.gz NHYQSQBWDAWZHB-UHFFFAOYSA-N 1 0 219.328 2.260 40 0 BEABRO Cc1cc(CN2CCC([NH3+])CC2)ccc1F ZINC000038539684 348703736 /nfs/dbraw/zinc/70/37/36/348703736.db2.gz GDJVHRBXAMDEPS-UHFFFAOYSA-N 1 0 222.307 2.057 40 0 BEABRO [NH3+]C[C@@]1(CO)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000062713787 259405246 /nfs/dbraw/zinc/40/52/46/259405246.db2.gz BBNDOWPZRLHQRV-WDEREUQCSA-N 1 0 245.244 2.130 40 0 BEABRO C[n+]1ccccc1CCC(=O)Nc1ccccc1 ZINC000001749806 187409513 /nfs/dbraw/zinc/40/95/13/187409513.db2.gz HAWQWYYLWPGXFZ-UHFFFAOYSA-O 1 0 241.314 2.082 40 0 BEABRO CC(=O)N[C@H]1CCCC[C@H]1C1CCC([NH3+])CC1 ZINC000001579178 190972440 /nfs/dbraw/zinc/97/24/40/190972440.db2.gz OVPICLNSCJKJLW-HOAMVYINSA-N 1 0 238.375 2.199 40 0 BEABRO [NH3+]Cc1nccc2cc(Br)ccc21 ZINC000211652968 349278102 /nfs/dbraw/zinc/27/81/02/349278102.db2.gz USVSVHLWKWLLDQ-UHFFFAOYSA-N 1 0 237.100 2.456 40 0 BEABRO [NH3+]Cc1cccc(OCCC(F)(F)F)c1 ZINC000070911536 190987327 /nfs/dbraw/zinc/98/73/27/190987327.db2.gz YNMKWGFYXRQTHM-UHFFFAOYSA-N 1 0 219.206 2.477 40 0 BEABRO CC(C)C[N@@H+]1CCc2cc(N)ccc2C1 ZINC000218747047 350102629 /nfs/dbraw/zinc/10/26/29/350102629.db2.gz PSNMIQNUXFMMRF-UHFFFAOYSA-N 1 0 204.317 2.283 40 0 BEABRO CC[C@](C)(C(=O)OC)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022123486 350084551 /nfs/dbraw/zinc/08/45/51/350084551.db2.gz IMWNBBNBQVEZCR-NTZNESFSSA-N 1 0 227.348 2.306 40 0 BEABRO C([C@@H]1[NH2+]CC[C@@H]2CCCC[C@@H]12)N1CCCC1 ZINC000102224558 191065063 /nfs/dbraw/zinc/06/50/63/191065063.db2.gz WYMMZJPKJFWTSS-MJBXVCDLSA-N 1 0 222.376 2.251 40 0 BEABRO Nc1cccc2c1CC[N@H+](CC1CC1)C2 ZINC000038032722 350300169 /nfs/dbraw/zinc/30/01/69/350300169.db2.gz JDLGESAVYVYTLO-UHFFFAOYSA-N 1 0 202.301 2.037 40 0 BEABRO Cc1c(Cl)cccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000038538748 362959278 /nfs/dbraw/zinc/95/92/78/362959278.db2.gz XHGADBVJTZEVFK-LLVKDONJSA-N 1 0 225.719 2.215 40 0 BEABRO C[NH+](C)[C@@H](CO)c1ccc(Br)cc1 ZINC000041289836 350619123 /nfs/dbraw/zinc/61/91/23/350619123.db2.gz OIJVEXUHXYKDPI-JTQLQIEISA-N 1 0 244.132 2.044 40 0 BEABRO Nc1cc(C2(C(F)(F)F)CC2)ccn1 ZINC000256050226 351032744 /nfs/dbraw/zinc/03/27/44/351032744.db2.gz DFXJTZAICCGXAO-UHFFFAOYSA-N 1 0 202.179 2.258 40 0 BEABRO CCN(CC)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000036720782 363184861 /nfs/dbraw/zinc/18/48/61/363184861.db2.gz QNBFFOXPDONIMW-UHFFFAOYSA-N 1 0 221.304 2.019 40 0 BEABRO CC(C)[N@@H+]1CCC[C@@H](c2nccnc2N(C)C)C1 ZINC000072348466 188132087 /nfs/dbraw/zinc/13/20/87/188132087.db2.gz PXJBQIKJYZCPNQ-GFCCVEGCSA-N 1 0 248.374 2.130 40 0 BEABRO CC(C)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000072381402 188132163 /nfs/dbraw/zinc/13/21/63/188132163.db2.gz PFSDPGYZEPFTRG-UHFFFAOYSA-N 1 0 221.348 2.083 40 0 BEABRO Fc1ccc(COC[C@H]2CCC[NH2+]2)cc1 ZINC000051816506 180971586 /nfs/dbraw/zinc/97/15/86/180971586.db2.gz PBOWRMRZFMBMJH-GFCCVEGCSA-N 1 0 209.264 2.094 40 0 BEABRO c1ccc2c(c1)C=C(CC1=[NH+]CCN1)CC2 ZINC000000001780 188452697 /nfs/dbraw/zinc/45/26/97/188452697.db2.gz WETRBJOSGIDJHQ-UHFFFAOYSA-N 1 0 212.296 2.408 40 0 in-man BEABRO [NH3+]CCCc1cccc(OC(F)(F)F)c1 ZINC000070636161 188488669 /nfs/dbraw/zinc/48/86/69/188488669.db2.gz JJPWAAYKSJODDP-UHFFFAOYSA-N 1 0 219.206 2.477 40 0 BEABRO CC(C)[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000336259822 188589313 /nfs/dbraw/zinc/58/93/13/188589313.db2.gz VQQRGNJMYQUZIR-UHFFFAOYSA-N 1 0 211.349 2.412 40 0 BEABRO NC(=[NH2+])COc1cccc(Cl)c1Cl ZINC000055368325 181186267 /nfs/dbraw/zinc/18/62/67/181186267.db2.gz QCUOSZDWAPHJOJ-UHFFFAOYSA-N 1 0 219.071 2.308 40 0 BEABRO O=C(c1nc2ccccc2s1)C1CC[NH2+]CC1 ZINC000012132077 355774472 /nfs/dbraw/zinc/77/44/72/355774472.db2.gz HQSXXOOVLCEFBK-UHFFFAOYSA-N 1 0 246.335 2.479 40 0 BEABRO CCCCOC[C@@H](O)C[NH+](C(C)C)C(C)C ZINC000032594536 356697726 /nfs/dbraw/zinc/69/77/26/356697726.db2.gz CMMJYMHIMICZME-ZDUSSCGKSA-N 1 0 231.380 2.283 40 0 BEABRO CCOC(=O)c1cccc(C[NH2+]C2CC2)c1 ZINC000685936902 538759433 /nfs/dbraw/zinc/75/94/33/538759433.db2.gz BXBRKQNAAGSYOA-UHFFFAOYSA-N 1 0 219.284 2.115 40 0 BEABRO Cc1ccc(F)cc1CN1CCC([NH3+])CC1 ZINC000038539892 357332097 /nfs/dbraw/zinc/33/20/97/357332097.db2.gz YSALZUKELBXGIJ-UHFFFAOYSA-N 1 0 222.307 2.057 40 0 BEABRO COc1ccc2c(c1)[C@@]1(CC[NH2+]1)CCC2 ZINC000086119571 357854306 /nfs/dbraw/zinc/85/43/06/357854306.db2.gz MXUXSPANGDUUPB-ZDUSSCGKSA-N 1 0 203.285 2.220 40 0 BEABRO Fc1cccc(Cl)c1CO[C@@H]1CC[NH2+]C1 ZINC000036142143 360659876 /nfs/dbraw/zinc/65/98/76/360659876.db2.gz QTPQDTNSVDVUQB-MRVPVSSYSA-N 1 0 229.682 2.358 40 0 BEABRO CCNc1ncc(C[NH2+]C(C)(C)CC)cn1 ZINC000062717573 259521825 /nfs/dbraw/zinc/52/18/25/259521825.db2.gz IRGRFYCJICYTIA-UHFFFAOYSA-N 1 0 222.336 2.187 40 0 BEABRO c1cnc(NC2CC2)c([C@H]2CCC[NH2+]2)c1 ZINC000072213701 259526992 /nfs/dbraw/zinc/52/69/92/259526992.db2.gz GYAMALRUFHABKL-LLVKDONJSA-N 1 0 203.289 2.080 40 0 BEABRO [NH3+]C1CCN(Cc2c(F)cc(F)cc2F)CC1 ZINC000067801014 181345123 /nfs/dbraw/zinc/34/51/23/181345123.db2.gz XHURMVIFJKLNIA-UHFFFAOYSA-N 1 0 244.260 2.027 40 0 BEABRO [NH3+]C1C[C@H]2CC[C@@H](C1)C21SCCS1 ZINC000217637139 181344505 /nfs/dbraw/zinc/34/45/05/181344505.db2.gz ICZVEWGQBDTQPN-JVHMLUBASA-N 1 0 215.387 2.310 40 0 BEABRO C[NH+](C)[C@@H](CC[NH3+])c1ccc(Cl)cc1 ZINC000011762456 370751275 /nfs/dbraw/zinc/75/12/75/370751275.db2.gz IDNMRNLCEZWGGG-NSHDSACASA-N 1 0 212.724 2.292 40 0 BEABRO c1cc([C@@H]2CCC[N@H+]2C2CCCC2)n[nH]1 ZINC000205701302 368359991 /nfs/dbraw/zinc/35/99/91/368359991.db2.gz WFLZJWBFVGUTPQ-LBPRGKRZSA-N 1 0 205.305 2.489 40 0 BEABRO [NH3+][C@H]1CC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000140844070 368392877 /nfs/dbraw/zinc/39/28/77/368392877.db2.gz AJRYNKKTFXWAET-OLZOCXBDSA-N 1 0 248.326 2.040 40 0 BEABRO [NH3+]C[C@H]1C[C@@H]1c1ccc(OC(F)F)cc1 ZINC000054586836 181468448 /nfs/dbraw/zinc/46/84/48/181468448.db2.gz YLAYUIMEMDLUBM-PSASIEDQSA-N 1 0 213.227 2.350 40 0 BEABRO CC(C)(C)OC(=O)NCC1CCC(C[NH3+])CC1 ZINC000000404007 369389120 /nfs/dbraw/zinc/38/91/20/369389120.db2.gz NYXOBVVHJZENCO-UHFFFAOYSA-N 1 0 242.363 2.276 40 0 in-vitro BEABRO COc1cc(OC)cc([C@@H]2C[C@@H]2[C@H](C)[NH3+])c1 ZINC000108019211 369372086 /nfs/dbraw/zinc/37/20/86/369372086.db2.gz SCBRMCDRXPTYCI-CKLFPEKLSA-N 1 0 221.300 2.155 40 0 BEABRO Cc1cc(-n2ccnc2)cc(C2CC[NH2+]CC2)n1 ZINC000205694372 369997745 /nfs/dbraw/zinc/99/77/45/369997745.db2.gz ZRRUKPCGLNGMFI-UHFFFAOYSA-N 1 0 242.326 2.043 40 0 BEABRO CC1CCC2(CC1)[C@@H]([NH3+])C(=O)N2c1ccccc1 ZINC000256050745 370635046 /nfs/dbraw/zinc/63/50/46/370635046.db2.gz GIIPFMIJFGGMHJ-QRJNDHJOSA-N 1 0 244.338 2.309 40 0 BEABRO FC(F)(F)COCC[C@@H]1CCCC[NH2+]1 ZINC000020593558 371301725 /nfs/dbraw/zinc/30/17/25/371301725.db2.gz LMDJCCVWUDRNOC-QMMMGPOBSA-N 1 0 211.227 2.098 40 0 BEABRO CC[NH+]1CCN(Cc2cccc([S-])c2)CC1 ZINC000095738736 371338643 /nfs/dbraw/zinc/33/86/43/371338643.db2.gz FZWMTFPQWQDREL-UHFFFAOYSA-N 1 0 236.384 2.113 40 0 BEABRO O=C(Nc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000019412575 182353015 /nfs/dbraw/zinc/35/30/15/182353015.db2.gz BWHUGLBSNCRSPC-UHFFFAOYSA-N 1 0 238.718 2.278 40 0 BEABRO OCCC1([NH2+]Cc2ccccc2)CCC1 ZINC000072266362 183042395 /nfs/dbraw/zinc/04/23/95/183042395.db2.gz JTPDTLHGEXRINY-UHFFFAOYSA-N 1 0 205.301 2.081 40 0 BEABRO OCCC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000052762279 183063955 /nfs/dbraw/zinc/06/39/55/183063955.db2.gz RKQFVFSOECMBDG-CQSZACIVSA-N 1 0 219.328 2.424 40 0 BEABRO OCC[NH2+]CCC12CC3CC(CC(C3)C1)C2 ZINC000002019277 183077774 /nfs/dbraw/zinc/07/77/74/183077774.db2.gz UOZOWNRPSKKJCB-UHFFFAOYSA-N 1 0 223.360 2.175 40 0 BEABRO OCCc1cc([C@@H]2CCC[N@@H+]2C2CCCC2)[nH]n1 ZINC000257248460 183099961 /nfs/dbraw/zinc/09/99/61/183099961.db2.gz JDTIAEWUOLVKHU-AWEZNQCLSA-N 1 0 249.358 2.024 40 0 BEABRO OC[C@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000097371009 183147529 /nfs/dbraw/zinc/14/75/29/183147529.db2.gz XONVDBHBIGNZGZ-UPJWGTAASA-N 1 0 243.416 2.413 40 0 BEABRO OCc1cc([C@H]2CCC[N@@H+]2C2CCCCC2)[nH]n1 ZINC000072381180 183161719 /nfs/dbraw/zinc/16/17/19/183161719.db2.gz LYMITMWLUAOKLN-CQSZACIVSA-N 1 0 249.358 2.372 40 0 BEABRO OCc1cc([C@@H]2CCC[N@@H+]2C2CCCCC2)[nH]n1 ZINC000072381179 183161873 /nfs/dbraw/zinc/16/18/73/183161873.db2.gz LYMITMWLUAOKLN-AWEZNQCLSA-N 1 0 249.358 2.372 40 0 BEABRO O[C@@H](C[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000001567969 183183128 /nfs/dbraw/zinc/18/31/28/183183128.db2.gz OPZVPQVONVBYTF-STQMWFEESA-N 1 0 205.301 2.252 40 0 BEABRO O[C@@H](c1ccc2cccnc2c1)[C@H]1CCCC[NH2+]1 ZINC000001729517 183185565 /nfs/dbraw/zinc/18/55/65/183185565.db2.gz MNCWVFJXBARQLI-HIFRSBDPSA-N 1 0 242.322 2.410 40 0 BEABRO O[C@@H](c1ccc2ccccc2n1)[C@H]1CCCC[NH2+]1 ZINC000001730920 183186212 /nfs/dbraw/zinc/18/62/12/183186212.db2.gz LSNMFZBXDRDBIG-UKRRQHHQSA-N 1 0 242.322 2.410 40 0 BEABRO O[C@H](C[NH2+]Cc1ccccc1)CC(F)(F)F ZINC000026897936 183223968 /nfs/dbraw/zinc/22/39/68/183223968.db2.gz FIPYXVWKZLCGAE-JTQLQIEISA-N 1 0 233.233 2.090 40 0 BEABRO O[C@H](c1cccc2ncccc21)[C@@H]1CCCC[NH2+]1 ZINC000001873725 183229263 /nfs/dbraw/zinc/22/92/63/183229263.db2.gz GLUILMXLFMYLMU-LSDHHAIUSA-N 1 0 242.322 2.410 40 0 BEABRO O[C@H]1[C@@H]2CCC[C@H]1CC[C@@H]2[NH+]1CCCC1 ZINC000012661730 183214017 /nfs/dbraw/zinc/21/40/17/183214017.db2.gz KEVUJQHBGRUWPR-QNWHQSFQSA-N 1 0 209.333 2.022 40 0 BEABRO O[C@H]1C[NH2+]CC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000003080602 183245169 /nfs/dbraw/zinc/24/51/69/183245169.db2.gz GRVSNFYUBFPYMK-MNOVXSKESA-N 1 0 245.244 2.143 40 0 BEABRO O[C@@](c1ccccc1)(C1CC1)C1CC[NH2+]CC1 ZINC000002027622 183250926 /nfs/dbraw/zinc/25/09/26/183250926.db2.gz XLLQNRJIPLGCJP-HNNXBMFYSA-N 1 0 231.339 2.284 40 0 BEABRO O[C@]1(c2ccc(F)cc2)CCC[C@@H]2C[NH2+]C[C@H]21 ZINC000229943722 183251840 /nfs/dbraw/zinc/25/18/40/183251840.db2.gz KADNKMBDWLQVRJ-HONMWMINSA-N 1 0 235.302 2.033 40 0 BEABRO c1cc(-c2noc([C@H]3CCC[NH2+]3)n2)cs1 ZINC000036825894 183333714 /nfs/dbraw/zinc/33/37/14/183333714.db2.gz KHVSZAPJFWMKMR-MRVPVSSYSA-N 1 0 221.285 2.223 40 0 BEABRO CCCN(Cc1ccco1)C[C@H]([NH3+])C(C)C ZINC000096523743 169178563 /nfs/dbraw/zinc/17/85/63/169178563.db2.gz GDLQTOPFBLUJDY-ZDUSSCGKSA-N 1 0 224.348 2.475 40 0 BEABRO c1cc(C2CC[NH+](Cc3ccncc3)CC2)n[nH]1 ZINC000072351186 183338993 /nfs/dbraw/zinc/33/89/93/183338993.db2.gz ACFCSKJWRYYDAY-UHFFFAOYSA-N 1 0 242.326 2.184 40 0 BEABRO c1cc(CN2C[C@H]3C[C@@H](C2)[N@H+](CC2CC2)C3)co1 ZINC000096058520 183349048 /nfs/dbraw/zinc/34/90/48/183349048.db2.gz INVIIYHICVNSES-CABCVRRESA-N 1 0 246.354 2.196 40 0 BEABRO c1cc2cnccc2c(C[C@@H]2C[NH2+]CCOC2)c1 ZINC000257197761 183354599 /nfs/dbraw/zinc/35/45/99/183354599.db2.gz IPOHPWMXJFTXBR-GFCCVEGCSA-N 1 0 242.322 2.013 40 0 BEABRO c1cc2c(s1)CC[NH2+][C@@H]2COc1ccncc1 ZINC000096526597 183358213 /nfs/dbraw/zinc/35/82/13/183358213.db2.gz LVYYJCCSTILEBP-GFCCVEGCSA-N 1 0 246.335 2.409 40 0 BEABRO c1cc(CNC2=[NH+]CCCC2)cc2c1OCO2 ZINC000093328293 183367946 /nfs/dbraw/zinc/36/79/46/183367946.db2.gz SBHWUTRROVMVGJ-UHFFFAOYSA-N 1 0 232.283 2.087 40 0 BEABRO c1cc([C@@H]2CCCC[NH2+]2)n(C2CCOCC2)n1 ZINC000096509765 183361266 /nfs/dbraw/zinc/36/12/66/183361266.db2.gz LZNYQUBLQSZDNI-LBPRGKRZSA-N 1 0 235.331 2.049 40 0 BEABRO c1cc([C@H]2CCCC[N@H+]2CC2CCOCC2)n[nH]1 ZINC000257290697 183362352 /nfs/dbraw/zinc/36/23/52/183362352.db2.gz QDZIVYFOCCMNDA-CQSZACIVSA-N 1 0 249.358 2.363 40 0 BEABRO c1ccc(CN2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC000026894967 183398965 /nfs/dbraw/zinc/39/89/65/183398965.db2.gz AQDOFQYPDSIZHN-OAHLLOKOSA-N 1 0 230.355 2.405 40 0 BEABRO CCCOc1ccc(C[NH2+]CCOC)cc1 ZINC000020085563 169318716 /nfs/dbraw/zinc/31/87/16/169318716.db2.gz XJSMGWFXGTVHLS-UHFFFAOYSA-N 1 0 223.316 2.211 40 0 BEABRO CCC[C@@H](C(=O)OC)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000022538688 169346290 /nfs/dbraw/zinc/34/62/90/169346290.db2.gz NPBBRGNFLTWNPV-UTUOFQBUSA-N 1 0 227.348 2.306 40 0 BEABRO c1nc([C@@H]2CCC[NH2+]C2)cnc1NC1CCCC1 ZINC000072386458 183537356 /nfs/dbraw/zinc/53/73/56/183537356.db2.gz OSKTYDNUMVMRCC-LLVKDONJSA-N 1 0 246.358 2.298 40 0 BEABRO CCC[C@H]1[NH2+]CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000034781544 169540049 /nfs/dbraw/zinc/54/00/49/169540049.db2.gz OEBUSDBRXUSYID-WDEREUQCSA-N 1 0 242.363 2.384 40 0 BEABRO CC(C)(C)OC[C@H](O)C[NH2+]C1CCCCC1 ZINC000007636342 166684138 /nfs/dbraw/zinc/68/41/38/166684138.db2.gz GCKSLZXHJMZOTL-GFCCVEGCSA-N 1 0 229.364 2.085 40 0 BEABRO C[N@@H+]1CCC[C@@H](Cc2cncc(Cl)n2)C1 ZINC000072363346 383907275 /nfs/dbraw/zinc/90/72/75/383907275.db2.gz ROHMWWWYKSJYLU-VIFPVBQESA-N 1 0 225.723 2.014 40 0 BEABRO [NH3+]Cc1cccc(OC(F)(F)F)c1F ZINC000036533745 383903969 /nfs/dbraw/zinc/90/39/69/383903969.db2.gz LHGYLAHYSCRENL-UHFFFAOYSA-N 1 0 209.142 2.183 40 0 BEABRO CC(C)(C)OC(=O)c1sccc1C[NH3+] ZINC000072266201 384008030 /nfs/dbraw/zinc/00/80/30/384008030.db2.gz WJGCUJNNRITMKZ-UHFFFAOYSA-N 1 0 213.302 2.162 40 0 BEABRO c1cc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n[nH]1 ZINC000072381197 384055812 /nfs/dbraw/zinc/05/58/12/384055812.db2.gz GAOZLGRWWNZPDZ-CYBMUJFWSA-N 1 0 227.311 2.399 40 0 BEABRO c1cc([C@H]2CC[N@@H+](Cc3ccccc3)C2)n[nH]1 ZINC000072381196 384056477 /nfs/dbraw/zinc/05/64/77/384056477.db2.gz GAOZLGRWWNZPDZ-ZDUSSCGKSA-N 1 0 227.311 2.399 40 0 BEABRO BrC1=C[C@@H]2CC=CC[C@H](C1)[NH2+]2 ZINC000004993050 384093969 /nfs/dbraw/zinc/09/39/69/384093969.db2.gz ZBOJQGQSDVXMFH-DTWKUNHWSA-N 1 0 214.106 2.346 40 0 BEABRO [NH3+]Cc1cccc(N2CCCCCC2=O)c1 ZINC000070595828 384123563 /nfs/dbraw/zinc/12/35/63/384123563.db2.gz BNCFFJZHLZVPNA-UHFFFAOYSA-N 1 0 218.300 2.052 40 0 BEABRO c1cnc2ccc(C[C@H]3CC[NH2+]C3)cc2c1 ZINC000070627755 384127162 /nfs/dbraw/zinc/12/71/62/384127162.db2.gz GGKQIJRCZXSVTK-GFCCVEGCSA-N 1 0 212.296 2.387 40 0 BEABRO CN(C[C@H]1CCC[NH2+]1)C(=O)OCc1ccccc1 ZINC000079437740 384146550 /nfs/dbraw/zinc/14/65/50/384146550.db2.gz BOXRBTATHOAKGB-CYBMUJFWSA-N 1 0 248.326 2.007 40 0 BEABRO CCN(C(=O)OCc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000079437771 384147001 /nfs/dbraw/zinc/14/70/01/384147001.db2.gz USBGEPBAMFJQED-CYBMUJFWSA-N 1 0 248.326 2.007 40 0 BEABRO Cc1ccc(CN(C(=O)[C@H](C)[NH3+])C(C)C)cc1 ZINC000079420314 384143233 /nfs/dbraw/zinc/14/32/33/384143233.db2.gz CQSXKBJNPFVALE-LBPRGKRZSA-N 1 0 234.343 2.079 40 0 BEABRO c1ccc2oc(C3=CC[NH2+]CC3)nc2c1 ZINC000072260270 384204493 /nfs/dbraw/zinc/20/44/93/384204493.db2.gz HZFMMTSHDVYHRG-UHFFFAOYSA-N 1 0 200.241 2.205 40 0 BEABRO c1cnc2c(c1)cccc2C[C@@H]1C[NH2+]CCOC1 ZINC000072344403 384208290 /nfs/dbraw/zinc/20/82/90/384208290.db2.gz HAFXZIZXIDYPHU-GFCCVEGCSA-N 1 0 242.322 2.013 40 0 BEABRO CCc1nccn1-c1cccc([C@H]2CCC[NH2+]2)n1 ZINC000072344156 384207581 /nfs/dbraw/zinc/20/75/81/384207581.db2.gz ZITNPSJKKCBAJO-LLVKDONJSA-N 1 0 242.326 2.254 40 0 BEABRO CCCC[C@@H](CC)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000071978903 384190843 /nfs/dbraw/zinc/19/08/43/384190843.db2.gz SEWVWPDQTJUGNR-NWDGAFQWSA-N 1 0 226.364 2.023 40 0 BEABRO CCCC[C@H](CC)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000071978904 384191428 /nfs/dbraw/zinc/19/14/28/384191428.db2.gz SEWVWPDQTJUGNR-RYUDHWBXSA-N 1 0 226.364 2.023 40 0 BEABRO CCC[C@H](C(=O)OC)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000036128010 384237264 /nfs/dbraw/zinc/23/72/64/384237264.db2.gz NPBBRGNFLTWNPV-SDDRHHMPSA-N 1 0 227.348 2.306 40 0 BEABRO CCc1nccn1-c1cccc([C@@H]2CCC[NH2+]2)n1 ZINC000072344155 384208560 /nfs/dbraw/zinc/20/85/60/384208560.db2.gz ZITNPSJKKCBAJO-NSHDSACASA-N 1 0 242.326 2.254 40 0 BEABRO Cc1cncnc1C1CC[NH+](C(C)C)CC1 ZINC000072348453 384210482 /nfs/dbraw/zinc/21/04/82/384210482.db2.gz JOZXJMDJQACQLI-UHFFFAOYSA-N 1 0 219.332 2.373 40 0 BEABRO c1cnc([C@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000072361339 384213281 /nfs/dbraw/zinc/21/32/81/384213281.db2.gz VUCZYUKZZRXBNP-LBPRGKRZSA-N 1 0 217.316 2.066 40 0 BEABRO CC(C)(C)C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000072361187 384214288 /nfs/dbraw/zinc/21/42/88/384214288.db2.gz GHDVTILPRXTRDS-NSHDSACASA-N 1 0 248.374 2.284 40 0 BEABRO Cc1ccnc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072381930 384216658 /nfs/dbraw/zinc/21/66/58/384216658.db2.gz IUQYYZANMKKGEE-ZDUSSCGKSA-N 1 0 247.342 2.101 40 0 BEABRO c1ccc([C@@H]2CCC[N@H+](C3CCOCC3)C2)nc1 ZINC000072381928 384216914 /nfs/dbraw/zinc/21/69/14/384216914.db2.gz AYRWFNVHGWTQKB-CYBMUJFWSA-N 1 0 246.354 2.440 40 0 BEABRO Cc1ccc2c(c1)C(=O)C[C@]1(C[C@H]3CC[C@@H]1[NH2+]3)O2 ZINC000072398203 384221618 /nfs/dbraw/zinc/22/16/18/384221618.db2.gz HYWWUAGPPPYSGD-ONERCXAPSA-N 1 0 243.306 2.223 40 0 BEABRO [NH3+]Cc1cncn1Cc1ccccc1Cl ZINC000076672036 384261103 /nfs/dbraw/zinc/26/11/03/384261103.db2.gz SAUZYOBVMDTQEF-UHFFFAOYSA-N 1 0 221.691 2.044 40 0 BEABRO [NH3+][C@H]1CCCn2cc(-c3ccc(F)cc3)nc21 ZINC000076028297 384281347 /nfs/dbraw/zinc/28/13/47/384281347.db2.gz HBXAMQFTAKPACU-NSHDSACASA-N 1 0 231.274 2.483 40 0 BEABRO CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044873234 384362215 /nfs/dbraw/zinc/36/22/15/384362215.db2.gz GYEXCKXLMDQNRR-UHFFFAOYSA-N 1 0 246.354 2.309 40 0 BEABRO C[NH+]1CCC(CCNC(=O)c2ccccc2)CC1 ZINC000134048215 384328430 /nfs/dbraw/zinc/32/84/30/384328430.db2.gz VNBANHPJKUNXRQ-UHFFFAOYSA-N 1 0 246.354 2.148 40 0 BEABRO CC[C@@H]([NH2+]C)c1cccc(OC)c1OC ZINC000084388797 384392892 /nfs/dbraw/zinc/39/28/92/384392892.db2.gz QZSCKQPPFMOERW-SNVBAGLBSA-N 1 0 209.289 2.374 40 0 BEABRO CC1(C)O[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2O1 ZINC000095933006 384413322 /nfs/dbraw/zinc/41/33/22/384413322.db2.gz BJYOPFBJOFXNPU-BETUJISGSA-N 1 0 233.311 2.022 40 0 BEABRO FC(F)(F)c1ccc([C@H]2CC[NH2+]C2)nc1 ZINC000095642452 384384890 /nfs/dbraw/zinc/38/48/90/384384890.db2.gz RZAQCPGMOOTZRZ-ZETCQYMHSA-N 1 0 216.206 2.177 40 0 BEABRO CCCC[NH2+]C[C@@H](C)C(=O)OC(C)(C)C ZINC000047219034 384445772 /nfs/dbraw/zinc/44/57/72/384445772.db2.gz CDILYGCJJBFUQC-SNVBAGLBSA-N 1 0 215.337 2.354 40 0 BEABRO [NH3+]CCc1ccc(F)c(C(F)(F)F)c1 ZINC000044248590 384437918 /nfs/dbraw/zinc/43/79/18/384437918.db2.gz AZVSPCBSDCVZKX-UHFFFAOYSA-N 1 0 207.170 2.346 40 0 BEABRO Nc1ccc([C@H](C[NH3+])c2ccccc2)cc1 ZINC000002015714 384507767 /nfs/dbraw/zinc/50/77/67/384507767.db2.gz XVFGZOOKEXYXKC-CQSZACIVSA-N 1 0 212.296 2.359 40 0 BEABRO CC(C)N1CCCc2c(C[NH3+])cccc21 ZINC000082639663 384512789 /nfs/dbraw/zinc/51/27/89/384512789.db2.gz COCCDKQIIKKLDT-UHFFFAOYSA-N 1 0 204.317 2.306 40 0 BEABRO C[C@](C[NH3+])(c1cccs1)N1CCCCC1 ZINC000070453218 384563171 /nfs/dbraw/zinc/56/31/71/384563171.db2.gz LTHWKBJZIGQDIN-LBPRGKRZSA-N 1 0 224.373 2.408 40 0 BEABRO [NH3+]CCc1cc2cc(Br)ccc2[nH]1 ZINC000020269469 384610438 /nfs/dbraw/zinc/61/04/38/384610438.db2.gz WWFGCNLOBVZAKW-UHFFFAOYSA-N 1 0 239.116 2.432 40 0 BEABRO c1ccc(CN2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC000082346686 384672626 /nfs/dbraw/zinc/67/26/26/384672626.db2.gz UCKQWPTZJAOXHJ-HNNXBMFYSA-N 1 0 230.355 2.405 40 0 BEABRO [NH3+][C@@H]1C=C(C(F)(F)F)NC=C1c1ccccc1 ZINC000101027454 384661696 /nfs/dbraw/zinc/66/16/96/384661696.db2.gz JJRBFERRYCUWKX-SNVBAGLBSA-N 1 0 240.228 2.404 40 0 BEABRO [NH3+]CC[C@@H]1CCc2ccc3c(c21)CCO3 ZINC000022005776 384723378 /nfs/dbraw/zinc/72/33/78/384723378.db2.gz BFNUHWYOQCGTCA-JTQLQIEISA-N 1 0 203.285 2.000 40 0 in-vitro BEABRO CC(C)(C)Cc1noc([C@@H]2CCC[NH2+]C2)n1 ZINC000082673398 384700026 /nfs/dbraw/zinc/70/00/26/384700026.db2.gz ZLFQYHKOPZRJMR-SECBINFHSA-N 1 0 223.320 2.125 40 0 BEABRO CC[C@@H](NC(=O)[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000051628314 384824565 /nfs/dbraw/zinc/82/45/65/384824565.db2.gz SJKGDKJVMHLPIT-OLZOCXBDSA-N 1 0 234.343 2.237 40 0 BEABRO Cc1cc(C2(O)CC[NH+](C)CC2)ccc1F ZINC000055192421 384874498 /nfs/dbraw/zinc/87/44/98/384874498.db2.gz XOAAHNVXDIOCCP-UHFFFAOYSA-N 1 0 223.291 2.047 40 0 BEABRO [NH3+][C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000127872918 384957073 /nfs/dbraw/zinc/95/70/73/384957073.db2.gz HPLZQVPAYLSJEZ-QWRGUYRKSA-N 1 0 238.128 2.364 40 0 BEABRO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000148754361 384901408 /nfs/dbraw/zinc/90/14/08/384901408.db2.gz WFNGGMDLHFWFRK-ZJUUUORDSA-N 1 0 228.336 2.029 40 0 BEABRO c1ccc([C@H]2C[C@@H]2C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000071477098 384913217 /nfs/dbraw/zinc/91/32/17/384913217.db2.gz KJWVAYDVQDFQKH-HUUCEWRRSA-N 1 0 230.355 2.085 40 0 BEABRO O=C1[C@@H]2CCC[C@H]1[C@H]([NH+]1CCCC1)CC2 ZINC000004151633 384926926 /nfs/dbraw/zinc/92/69/26/384926926.db2.gz NCTHTNCTMQAJDU-GRYCIOLGSA-N 1 0 207.317 2.230 40 0 BEABRO C[C@H]1[C@H](C)[C@@](O)(c2ccccc2)CC[N@@H+]1C ZINC000001001646 384989361 /nfs/dbraw/zinc/98/93/61/384989361.db2.gz BPCAXUWVIOXYQR-SGMGOOAPSA-N 1 0 219.328 2.234 40 0 BEABRO CCOc1cc(Cl)c(C[NH2+]C)cc1OC ZINC000095094952 384964187 /nfs/dbraw/zinc/96/41/87/384964187.db2.gz PYTMFPVAVDKGMG-UHFFFAOYSA-N 1 0 229.707 2.467 40 0 BEABRO O=C(CC[C@H]1CCC[NH2+]1)Nc1ccccc1 ZINC000072208141 385061887 /nfs/dbraw/zinc/06/18/87/385061887.db2.gz ZFRPSSIORAVKLI-LLVKDONJSA-N 1 0 218.300 2.157 40 0 BEABRO CC(C)[N@@H+]1CCC[C@H]1c1cccnc1N ZINC000072212418 385074261 /nfs/dbraw/zinc/07/42/61/385074261.db2.gz PZWDHBGYALOADY-NSHDSACASA-N 1 0 205.305 2.209 40 0 BEABRO CC(C)[C@@H]([NH3+])c1nc(-c2ccccc2F)n[nH]1 ZINC000095534759 385045217 /nfs/dbraw/zinc/04/52/17/385045217.db2.gz CKLVWBXYFGVGAD-SNVBAGLBSA-N 1 0 234.278 2.267 40 0 BEABRO CC(C)[C@@H]([NH3+])c1nc(COc2ccccc2)n[nH]1 ZINC000095534699 385046967 /nfs/dbraw/zinc/04/69/67/385046967.db2.gz FXSPSYILNYACKF-GFCCVEGCSA-N 1 0 246.314 2.040 40 0 BEABRO Cc1cc([C@H](C)[NH3+])cnc1Br ZINC000072221921 385110445 /nfs/dbraw/zinc/11/04/45/385110445.db2.gz WRAYLSYRPBHAGQ-LURJTMIESA-N 1 0 215.094 2.172 40 0 BEABRO Cc1nc(N(C)Cc2ccccc2)ccc1C[NH3+] ZINC000072224433 385119831 /nfs/dbraw/zinc/11/98/31/385119831.db2.gz WJSYZGGMBHDUJF-UHFFFAOYSA-N 1 0 241.338 2.485 40 0 BEABRO c1cnc(N2CCCC2)c([C@@H]2CCC[NH2+]2)c1 ZINC000072215964 385092926 /nfs/dbraw/zinc/09/29/26/385092926.db2.gz HKEVFEZGJLKJJV-LBPRGKRZSA-N 1 0 217.316 2.106 40 0 BEABRO c1cnc(N2CCCC2)c([C@H]2CCC[NH2+]2)c1 ZINC000072215965 385092973 /nfs/dbraw/zinc/09/29/73/385092973.db2.gz HKEVFEZGJLKJJV-GFCCVEGCSA-N 1 0 217.316 2.106 40 0 BEABRO c1cnc(N2CCCCC2)c([C@@H]2CCC[NH2+]2)c1 ZINC000072216084 385094933 /nfs/dbraw/zinc/09/49/33/385094933.db2.gz BDZBZRAHCMIYOY-ZDUSSCGKSA-N 1 0 231.343 2.496 40 0 BEABRO CC[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]c1C ZINC000072218191 385100994 /nfs/dbraw/zinc/10/09/94/385100994.db2.gz NKDMKHUZKDTOHC-LLVKDONJSA-N 1 0 206.289 2.252 40 0 BEABRO CNc1cc(C)c([C@H]2CCCC[NH2+]2)cn1 ZINC000072219053 385103180 /nfs/dbraw/zinc/10/31/80/385103180.db2.gz KBAIRPYVRKRJSD-LLVKDONJSA-N 1 0 205.305 2.246 40 0 BEABRO CNc1cc(C)c([C@@H]2CCC[N@@H+]2C)cn1 ZINC000072219025 385104980 /nfs/dbraw/zinc/10/49/80/385104980.db2.gz KRQZAJVVAQLFEE-NSHDSACASA-N 1 0 205.305 2.198 40 0 BEABRO Cc1cc([C@H]2CCC[NH2+]2)cnc1N1CCCC1 ZINC000072218783 385105340 /nfs/dbraw/zinc/10/53/40/385105340.db2.gz DNXHITSWCCIYJQ-CYBMUJFWSA-N 1 0 231.343 2.415 40 0 BEABRO CCc1ccc(NC[C@H]2C[C@@H]2C[NH3+])cc1 ZINC000096509422 385240704 /nfs/dbraw/zinc/24/07/04/385240704.db2.gz LWWYZGKFDTUAQN-VXGBXAGGSA-N 1 0 204.317 2.256 40 0 BEABRO CC(C)Cn1c2ccncc2nc1[C@@H](C)[NH3+] ZINC000096510507 385248426 /nfs/dbraw/zinc/24/84/26/385248426.db2.gz NGWGCAAUZTVXOA-SECBINFHSA-N 1 0 218.304 2.107 40 0 BEABRO CC(C)CN1C[C@H](C[NH3+])Cc2ccccc21 ZINC000096510382 385249963 /nfs/dbraw/zinc/24/99/63/385249963.db2.gz LOHCHQSLZBLPDT-LBPRGKRZSA-N 1 0 218.344 2.280 40 0 BEABRO CCCN1C[C@H](C[NH3+])Cc2ccccc21 ZINC000096510386 385250397 /nfs/dbraw/zinc/25/03/97/385250397.db2.gz UPRSUELZGIBYBT-NSHDSACASA-N 1 0 204.317 2.034 40 0 BEABRO CCCC[N@@H+]1CCCC[C@@H]1C(=O)OCC ZINC000033609411 385254468 /nfs/dbraw/zinc/25/44/68/385254468.db2.gz OAAXEKNPTNLHID-LLVKDONJSA-N 1 0 213.321 2.204 40 0 BEABRO NC[C@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC000096523616 385266407 /nfs/dbraw/zinc/26/64/07/385266407.db2.gz BWROVJAJIZRKEO-CYBMUJFWSA-N 1 0 210.365 2.380 40 0 BEABRO [NH3+][C@@H]1CCCN(Cc2nccc3ccccc32)C1 ZINC000096523538 385267529 /nfs/dbraw/zinc/26/75/29/385267529.db2.gz RMBALCNGKRXBAM-CYBMUJFWSA-N 1 0 241.338 2.158 40 0 BEABRO CC(C)(C)c1ccc(NC(=O)CC[NH3+])cc1 ZINC000008732983 385268392 /nfs/dbraw/zinc/26/83/92/385268392.db2.gz AKSAQUQTLFMXLD-UHFFFAOYSA-N 1 0 220.316 2.271 40 0 BEABRO [NH3+]C[C@H]1CCCCN1CCc1ccccc1F ZINC000096523596 385268507 /nfs/dbraw/zinc/26/85/07/385268507.db2.gz NLLVJKVMPNGXEI-CYBMUJFWSA-N 1 0 236.334 2.181 40 0 BEABRO [NH3+]C[C@@H]1CCCCN1CCc1ccc(F)cc1 ZINC000096523599 385269307 /nfs/dbraw/zinc/26/93/07/385269307.db2.gz RWAPTHDGEHBIDG-AWEZNQCLSA-N 1 0 236.334 2.181 40 0 BEABRO C[C@@H]([NH3+])CN1CC=C(c2ccccc2)CC1 ZINC000096523885 385272880 /nfs/dbraw/zinc/27/28/80/385272880.db2.gz FILVYYGZXTXEBE-GFCCVEGCSA-N 1 0 216.328 2.123 40 0 BEABRO O=C(CC[C@H]1CCC[NH2+]C1)Nc1ccccc1 ZINC000036757294 385470211 /nfs/dbraw/zinc/47/02/11/385470211.db2.gz JVVISZLPBNBADC-GFCCVEGCSA-N 1 0 232.327 2.405 40 0 BEABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C(C)C ZINC000201635925 385585715 /nfs/dbraw/zinc/58/57/15/385585715.db2.gz QSTANHPGFFZQMJ-ZDUSSCGKSA-N 1 0 240.391 2.413 40 0 BEABRO CC(C)(C)CC(C)(C)NC(=O)C[NH2+]C1CC1 ZINC000037395106 385642714 /nfs/dbraw/zinc/64/27/14/385642714.db2.gz OYKMFCUYOKDPAZ-UHFFFAOYSA-N 1 0 226.364 2.069 40 0 BEABRO c1sc(Nc2cnccn2)nc1[C@H]1CCC[NH2+]1 ZINC000257302060 385760454 /nfs/dbraw/zinc/76/04/54/385760454.db2.gz SBFLAKYCOSPCOL-MRVPVSSYSA-N 1 0 247.327 2.101 40 0 BEABRO CC[NH+](CC)[C@H](CN)c1ccccc1C ZINC000038827558 386141508 /nfs/dbraw/zinc/14/15/08/386141508.db2.gz OWQIRLVOUXXGRO-CYBMUJFWSA-N 1 0 206.333 2.337 40 0 BEABRO C[C@@H](NC[C@@H]([NH3+])c1ccccc1)c1nccs1 ZINC000080310468 386237272 /nfs/dbraw/zinc/23/72/72/386237272.db2.gz XRLVYKCVJQZARP-ZYHUDNBSSA-N 1 0 247.367 2.494 40 0 BEABRO c1csc(CCN2CC[NH2+][C@@H]3CCC[C@H]32)c1 ZINC000218843002 386244438 /nfs/dbraw/zinc/24/44/38/386244438.db2.gz QAUPJZQIGTZSKP-CHWSQXEVSA-N 1 0 236.384 2.117 40 0 BEABRO [NH3+][C@H]1CCCC[C@@H]1NCc1ccc(F)cc1 ZINC000218856814 386301936 /nfs/dbraw/zinc/30/19/36/386301936.db2.gz LRGCLQBNHQXGJI-STQMWFEESA-N 1 0 222.307 2.185 40 0 BEABRO Fc1cc(F)cc(N2CC[NH2+][C@H]3CCC[C@H]32)c1 ZINC000218848117 386262085 /nfs/dbraw/zinc/26/20/85/386262085.db2.gz FOHMKEYMQWAYOY-QWHCGFSZSA-N 1 0 238.281 2.296 40 0 BEABRO CC(C)C[C@H]([NH3+])c1nc2ccccc2n1CCO ZINC000019734981 386377846 /nfs/dbraw/zinc/37/78/46/386377846.db2.gz HTEFSTNSHIIFFW-NSHDSACASA-N 1 0 247.342 2.075 40 0 BEABRO [NH3+]C[C@H]1CC[C@H](c2cc(F)cc(F)c2)O1 ZINC000218700490 386412587 /nfs/dbraw/zinc/41/25/87/386412587.db2.gz JCVNEPFOJPAIAS-GHMZBOCLSA-N 1 0 213.227 2.144 40 0 BEABRO CC(C)(C)OC(=O)CC[NH2+]C1CCCC1 ZINC000005066425 386507338 /nfs/dbraw/zinc/50/73/38/386507338.db2.gz FBUMKBOYVOHBEQ-UHFFFAOYSA-N 1 0 213.321 2.250 40 0 BEABRO C[C@H](N[C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000218886691 386514406 /nfs/dbraw/zinc/51/44/06/386514406.db2.gz VJNYIIHZUKMQSU-DRZSPHRISA-N 1 0 204.317 2.217 40 0 BEABRO CC(C)n1nc(C(F)(F)F)c2c1CC[NH2+]C2 ZINC000082810403 387388155 /nfs/dbraw/zinc/38/81/55/387388155.db2.gz AYRDAFUGDZFUML-UHFFFAOYSA-N 1 0 233.237 2.129 40 0 BEABRO C[NH2+][C@@H]1CCCN(Cc2ccccc2C)C1 ZINC000053201459 387534501 /nfs/dbraw/zinc/53/45/01/387534501.db2.gz GXRWMVQGGSPFGP-CQSZACIVSA-N 1 0 218.344 2.179 40 0 BEABRO Cc1ccc(F)c(CN2CCC([NH3+])CC2)c1 ZINC000067801077 387854557 /nfs/dbraw/zinc/85/45/57/387854557.db2.gz KTTSLHOFBRFFNO-UHFFFAOYSA-N 1 0 222.307 2.057 40 0 BEABRO CCCn1cc(C[NH2+]Cc2cccc(O)c2)cn1 ZINC000256051472 387858654 /nfs/dbraw/zinc/85/86/54/387858654.db2.gz JHBSZRCBEQEPAG-UHFFFAOYSA-N 1 0 245.326 2.289 40 0 BEABRO CCCCC[NH2+]Cc1ccnn1CCF ZINC000256051968 387860885 /nfs/dbraw/zinc/86/08/85/387860885.db2.gz LHXAXVHNCHTGSN-UHFFFAOYSA-N 1 0 213.300 2.132 40 0 BEABRO Nc1cncc(C[N@@H+]2CCc3ccccc3C2)c1 ZINC000217731022 388380048 /nfs/dbraw/zinc/38/00/48/388380048.db2.gz GYEPHDFKCSSNRH-UHFFFAOYSA-N 1 0 239.322 2.222 40 0 BEABRO C[C@H](O[C@H]1CC[NH2+]C1)c1cccnc1Cl ZINC000242750730 388400361 /nfs/dbraw/zinc/40/03/61/388400361.db2.gz ZXXKJEMOKZMKSL-IUCAKERBSA-N 1 0 226.707 2.175 40 0 BEABRO Clc1ccc(CN[C@@H]2CCC[NH2+]C2)cc1 ZINC000095067827 388590929 /nfs/dbraw/zinc/59/09/29/388590929.db2.gz GJTBBSQMEDUCHK-GFCCVEGCSA-N 1 0 224.735 2.182 40 0 BEABRO COc1ccc(CN2CC[NH2+][C@H]3CCC[C@H]32)cc1 ZINC000218841618 256852140 /nfs/dbraw/zinc/85/21/40/256852140.db2.gz PUTBBWFXENCFPK-LSDHHAIUSA-N 1 0 246.354 2.022 40 0 BEABRO Fc1ccc2c(c1)OC1(CC[NH2+]CC1)CCN2 ZINC000521396050 388671855 /nfs/dbraw/zinc/67/18/55/388671855.db2.gz NTRZLYPCQFIQPX-UHFFFAOYSA-N 1 0 236.290 2.142 40 0 BEABRO [NH3+][C@@H]1CCCc2[nH]nc(-c3ccccc3)c21 ZINC000072415319 388639811 /nfs/dbraw/zinc/63/98/11/388639811.db2.gz LRVFYKYPMWPIJC-SNVBAGLBSA-N 1 0 213.284 2.413 40 0 BEABRO [NH3+]Cc1c[nH]c2c1cccc2Br ZINC000020269181 388651641 /nfs/dbraw/zinc/65/16/41/388651641.db2.gz WYBJUXJPUNFHQA-UHFFFAOYSA-N 1 0 225.089 2.389 40 0 BEABRO Cc1ccc([C@@H](C)O[C@@H]2CC[NH2+]C2)c(C)n1 ZINC000252488753 388653289 /nfs/dbraw/zinc/65/32/89/388653289.db2.gz IXXRNOQIHCRCST-VXGBXAGGSA-N 1 0 220.316 2.138 40 0 BEABRO [NH3+]CCc1c[nH]c(Cc2ccc(Cl)cc2)n1 ZINC000062716577 388655035 /nfs/dbraw/zinc/65/50/35/388655035.db2.gz HETONVQZNWUVKB-UHFFFAOYSA-N 1 0 235.718 2.155 40 0 BEABRO Fc1ccccc1N1CC[NH2+][C@@H]2CCC[C@@H]21 ZINC000225716853 388840537 /nfs/dbraw/zinc/84/05/37/388840537.db2.gz GLTPNMWLBDHGSZ-YPMHNXCESA-N 1 0 220.291 2.156 40 0 BEABRO CSC[C@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000224467737 134347493 /nfs/dbraw/zinc/34/74/93/134347493.db2.gz ZVKBENWWYRROMX-IUCAKERBSA-N 1 0 205.392 2.081 40 0 BEABRO O=C(Nc1ccccc1)[C@@H]1CCCCC[NH2+]1 ZINC000080992913 135384748 /nfs/dbraw/zinc/38/47/48/135384748.db2.gz ZAVKTXQFZUTIQZ-LBPRGKRZSA-N 1 0 218.300 2.157 40 0 BEABRO COc1cc(OC)cc([C@@H]2C[C@@H]2[C@@H](C)[NH3+])c1 ZINC000020594410 398043981 /nfs/dbraw/zinc/04/39/81/398043981.db2.gz SCBRMCDRXPTYCI-WQHBLYJGSA-N 1 0 221.300 2.155 40 0 BEABRO FC(F)(F)COCC[C@H]1CCCC[NH2+]1 ZINC000020593559 398043994 /nfs/dbraw/zinc/04/39/94/398043994.db2.gz LMDJCCVWUDRNOC-MRVPVSSYSA-N 1 0 211.227 2.098 40 0 BEABRO CC(C)[C@@H]([NH3+])c1nc(-c2cccs2)n[nH]1 ZINC000054700169 398070723 /nfs/dbraw/zinc/07/07/23/398070723.db2.gz GPUFLMSTQAEFKW-MRVPVSSYSA-N 1 0 222.317 2.189 40 0 BEABRO Br[C@@]12CCCC[C@@H]1C[NH2+]CC2 ZINC000000158431 166094060 /nfs/dbraw/zinc/09/40/60/166094060.db2.gz FPUFEUQHVSBEPE-RKDXNWHRSA-N 1 0 218.138 2.304 40 0 BEABRO CC(C)C[NH2+]Cc1cc(C(F)(F)F)n(C)n1 ZINC000256054624 167008772 /nfs/dbraw/zinc/00/87/72/167008772.db2.gz XBSITFGCLHMLBO-UHFFFAOYSA-N 1 0 235.253 2.185 40 0 BEABRO CC(C)[NH2+]CCc1c[nH]c2ncccc12 ZINC000095097500 167108686 /nfs/dbraw/zinc/10/86/86/167108686.db2.gz GUKOGKFGADCGCF-UHFFFAOYSA-N 1 0 203.289 2.103 40 0 BEABRO CCC(=O)NCCCCC[NH+]1CCCCC1 ZINC000001646508 168227995 /nfs/dbraw/zinc/22/79/95/168227995.db2.gz LBEMAANNWBZKDW-UHFFFAOYSA-N 1 0 226.364 2.169 40 0 BEABRO CN(C)[C@H]1[C@H]([NH+](C)C)[C@H]2CC[C@]1(C)C2(C)C ZINC000245241064 411384433 /nfs/dbraw/zinc/38/44/33/411384433.db2.gz WWHMPEUSLLXFGZ-NMKXLXIOSA-N 1 0 224.392 2.303 40 0 BEABRO CC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000001593405 170023754 /nfs/dbraw/zinc/02/37/54/170023754.db2.gz KGMSKRGSHTVCKH-UHFFFAOYSA-N 1 0 221.300 2.082 40 0 BEABRO CC[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000037755460 170127032 /nfs/dbraw/zinc/12/70/32/170127032.db2.gz OWWFVWWTGMTJHK-UHFFFAOYSA-N 1 0 215.243 2.440 40 0 BEABRO CCOC(=O)CC1[C@@H](C)[C@@H](C)[NH2+][C@H](C)[C@H]1C ZINC000104124873 170198190 /nfs/dbraw/zinc/19/81/90/170198190.db2.gz KZLXDLZVUUMHCG-JWISSMICSA-N 1 0 227.348 2.208 40 0 BEABRO CCOC(=O)CC[NH2+]CCCc1ccccc1 ZINC000037486125 170209462 /nfs/dbraw/zinc/20/94/62/170209462.db2.gz QYWYQRHYEHCZIG-UHFFFAOYSA-N 1 0 235.327 2.162 40 0 BEABRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000096361364 170259376 /nfs/dbraw/zinc/25/93/76/170259376.db2.gz GDZPWQCQDBQIJJ-TZMCWYRMSA-N 1 0 247.338 2.318 40 0 BEABRO CCOC(=O)[C@]12CCCC[C@@H]1[NH2+]CC=CC2 ZINC000019530253 170262920 /nfs/dbraw/zinc/26/29/20/170262920.db2.gz UYJXSESXJSHLID-AAEUAGOBSA-N 1 0 223.316 2.028 40 0 BEABRO CCOC(=O)[C@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC000082299879 170280646 /nfs/dbraw/zinc/28/06/46/170280646.db2.gz VRIDQIGLSYHFCH-QWHCGFSZSA-N 1 0 233.311 2.290 40 0 BEABRO CCOCCC[NH2+]Cc1ccnn1[C@H](C)CC ZINC000256054957 170381261 /nfs/dbraw/zinc/38/12/61/170381261.db2.gz YMLGKAGLRWSHEF-GFCCVEGCSA-N 1 0 239.363 2.370 40 0 BEABRO CCOc1ccc2nc(NCC[NH3+])c(C)cc2c1 ZINC000013998664 170570586 /nfs/dbraw/zinc/57/05/86/170570586.db2.gz OXLDFASBDOQKLK-UHFFFAOYSA-N 1 0 245.326 2.313 40 0 BEABRO C[C@H]([NH2+]C[C@@H]1CCCO1)c1ccccc1N ZINC000225817072 322929665 /nfs/dbraw/zinc/92/96/65/322929665.db2.gz HSDABBKNINJUIG-QWRGUYRKSA-N 1 0 220.316 2.098 40 0 BEABRO CC[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1C ZINC000016758633 171341288 /nfs/dbraw/zinc/34/12/88/171341288.db2.gz ILLZYUQZSHRPQG-QWHCGFSZSA-N 1 0 237.343 2.123 40 0 BEABRO CC[C@H](C)c1ccc(NC(=O)CC[NH3+])cc1 ZINC000008732969 171410454 /nfs/dbraw/zinc/41/04/54/171410454.db2.gz JQTJZRMPOKVXNA-JTQLQIEISA-N 1 0 220.316 2.487 40 0 BEABRO CC[C@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000019726108 171431582 /nfs/dbraw/zinc/43/15/82/171431582.db2.gz NQGJJYCJKYLBSM-SECBINFHSA-N 1 0 209.289 2.156 40 0 BEABRO CCn1c2ccc(Cl)cc2nc1CC[NH3+] ZINC000037440348 172143073 /nfs/dbraw/zinc/14/30/73/172143073.db2.gz HVOSNRPSEIRDTO-UHFFFAOYSA-N 1 0 223.707 2.211 40 0 BEABRO CCn1ccc([C@H](C)[NH2+]CCCOC)c1 ZINC000078406194 172201930 /nfs/dbraw/zinc/20/19/30/172201930.db2.gz GIOTVBWFONAQSR-NSHDSACASA-N 1 0 210.321 2.195 40 0 BEABRO C[N@@H+]1CCCC[C@H]1[C@@](C)(O)c1ccccc1 ZINC000001667117 173009323 /nfs/dbraw/zinc/00/93/23/173009323.db2.gz LXDBGLKINLPWMY-KBPBESRZSA-N 1 0 219.328 2.378 40 0 BEABRO C[N@@H+]1CCCC[C@H]1c1ccc(-n2ccnc2)nc1 ZINC000072386560 173010088 /nfs/dbraw/zinc/01/00/88/173010088.db2.gz RGXXBCYZOKBQQT-ZDUSSCGKSA-N 1 0 242.326 2.424 40 0 BEABRO C[N@@H+]1CC[C@H](c2nnc(-c3ccccc3)o2)C1 ZINC000049169317 173157636 /nfs/dbraw/zinc/15/76/36/173157636.db2.gz IOJODJGZUCNESL-NSHDSACASA-N 1 0 229.283 2.156 40 0 biogenic,in-vitro BEABRO CN1C[C@@H](c2ccc(Cl)cc2Cl)[C@H]([NH3+])C1 ZINC000217661182 173182708 /nfs/dbraw/zinc/18/27/08/173182708.db2.gz DCULMEWANYUGGF-GXSJLCMTSA-N 1 0 245.153 2.350 40 0 BEABRO CNC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000038832109 173310523 /nfs/dbraw/zinc/31/05/23/173310523.db2.gz RVRJKPLQJNGCME-UHFFFAOYSA-N 1 0 246.354 2.278 40 0 BEABRO C[NH2+]C[C@@H]1CCCC[C@]1(O)c1cccc(OC)c1 ZINC000003643421 173367120 /nfs/dbraw/zinc/36/71/20/173367120.db2.gz VUMQHLSPUAFKKK-ZFWWWQNUSA-N 1 0 249.354 2.292 40 0 world BEABRO C[NH2+]C[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079437108 173379854 /nfs/dbraw/zinc/37/98/54/173379854.db2.gz NCMQXKLVNCDNLT-CYBMUJFWSA-N 1 0 248.326 2.007 40 0 BEABRO C[NH2+]C[C@H]1C[C@H]1c1ccc(OC)c(OC)c1 ZINC000054588500 173382871 /nfs/dbraw/zinc/38/28/71/173382871.db2.gz VCUMKLYDJBVZEY-MNOVXSKESA-N 1 0 221.300 2.027 40 0 BEABRO C[NH2+]Cc1ccc(OCC2CC2)c(OC)c1 ZINC000036765214 173389178 /nfs/dbraw/zinc/38/91/78/173389178.db2.gz HNOIJIHANWVDDK-UHFFFAOYSA-N 1 0 221.300 2.203 40 0 BEABRO COC1(OC)CC2(C[NH2+][C@H]2c2ccccc2)C1 ZINC000390822118 174009692 /nfs/dbraw/zinc/00/96/92/174009692.db2.gz GLJIKVXMKLAHOS-LBPRGKRZSA-N 1 0 233.311 2.100 40 0 BEABRO COCCC[NH2+]Cc1ccn(C(C)(C)C)c1 ZINC000223695792 174248461 /nfs/dbraw/zinc/24/84/61/174248461.db2.gz MHDFQABQOQUTGH-UHFFFAOYSA-N 1 0 224.348 2.369 40 0 BEABRO COCC[NH2+]Cc1cccn1-c1ccc(F)cc1 ZINC000223683883 174335389 /nfs/dbraw/zinc/33/53/89/174335389.db2.gz MAOASTXJZKGWSS-UHFFFAOYSA-N 1 0 248.301 2.352 40 0 BEABRO COCC[NH2+][C@H](C)c1ccn(C(C)C)c1 ZINC000078406139 174339823 /nfs/dbraw/zinc/33/98/23/174339823.db2.gz GLPMTPDWZPYYGF-LLVKDONJSA-N 1 0 210.321 2.366 40 0 BEABRO COc1cc(F)ccc1C1CC[NH2+]CC1 ZINC000075068987 174993441 /nfs/dbraw/zinc/99/34/41/174993441.db2.gz VWMDWFRERJTLPK-UHFFFAOYSA-N 1 0 209.264 2.301 40 0 BEABRO COc1cc(OC)cc(C2([NH3+])CCCC2)c1 ZINC000033487157 175010262 /nfs/dbraw/zinc/01/02/62/175010262.db2.gz ORJLFRDWUHYMSU-UHFFFAOYSA-N 1 0 221.300 2.432 40 0 BEABRO COc1cc([C@H](C)O)c[n+](Cc2ccccc2)c1 ZINC000006487596 175015695 /nfs/dbraw/zinc/01/56/95/175015695.db2.gz FHIJRFZBQNEPKF-LBPRGKRZSA-N 1 0 244.314 2.084 40 0 BEABRO COc1ccc(Br)cc1CCC[NH3+] ZINC000041289885 175051400 /nfs/dbraw/zinc/05/14/00/175051400.db2.gz ROECSVKOGWRTDZ-UHFFFAOYSA-N 1 0 244.132 2.349 40 0 BEABRO COc1ccc(C)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000035161739 175075814 /nfs/dbraw/zinc/07/58/14/175075814.db2.gz IZIWMECMESLAIK-ZDUSSCGKSA-N 1 0 235.327 2.272 40 0 BEABRO COc1ccc(C2CC[NH2+]CC2)cc1F ZINC000019835083 175086184 /nfs/dbraw/zinc/08/61/84/175086184.db2.gz BPAXMNWAPCZSNH-UHFFFAOYSA-N 1 0 209.264 2.301 40 0 BEABRO COc1ccc(C[n+]2ccccc2)cc1 ZINC000001556114 175117914 /nfs/dbraw/zinc/11/79/14/175117914.db2.gz IFFBKZAYSFHSFE-UHFFFAOYSA-N 1 0 200.261 2.031 40 0 BEABRO COc1ccc([C@@H](C)N[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000218886958 175177868 /nfs/dbraw/zinc/17/78/68/175177868.db2.gz GFXBIRRVJPEUAA-SWHYSGLUSA-N 1 0 234.343 2.226 40 0 BEABRO COc1ccc([C@@H]([NH3+])c2cccnc2)cc1 ZINC000008699685 175180196 /nfs/dbraw/zinc/18/01/96/175180196.db2.gz XUKDXAGGXGAMBG-CYBMUJFWSA-N 1 0 214.268 2.138 40 0 BEABRO COc1ccc([C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000038539252 175182725 /nfs/dbraw/zinc/18/27/25/175182725.db2.gz OJXRVGVPJHJJGX-LLVKDONJSA-N 1 0 205.301 2.471 40 0 BEABRO COc1ccc([C@H]([NH3+])c2ccccn2)cc1 ZINC000011737334 175192619 /nfs/dbraw/zinc/19/26/19/175192619.db2.gz YDPKXALAYGLYAZ-ZDUSSCGKSA-N 1 0 214.268 2.138 40 0 BEABRO COc1ccc([C@H]2CCC[NH2+]C2)c(C)c1 ZINC000038539255 175194607 /nfs/dbraw/zinc/19/46/07/175194607.db2.gz OJXRVGVPJHJJGX-NSHDSACASA-N 1 0 205.301 2.471 40 0 BEABRO COc1cccc(-c2nc(C[NH3+])cs2)c1 ZINC000020438871 175236228 /nfs/dbraw/zinc/23/62/28/175236228.db2.gz SERJPGQOSJQHHC-UHFFFAOYSA-N 1 0 220.297 2.277 40 0 BEABRO COc1cccc(-c2nc(C[NH3+])c(C)o2)c1 ZINC000039321177 175236680 /nfs/dbraw/zinc/23/66/80/175236680.db2.gz PTXXLSPKRQLIGU-UHFFFAOYSA-N 1 0 218.256 2.117 40 0 BEABRO COc1cccc(-c2noc([C@@H]3CCC[NH2+]3)n2)c1 ZINC000035318030 175238807 /nfs/dbraw/zinc/23/88/07/175238807.db2.gz BSSXKELSYVNJAA-NSHDSACASA-N 1 0 245.282 2.170 40 0 BEABRO COc1cccc(CCN2CCCC[C@@H]2C[NH3+])c1 ZINC000096523574 175251557 /nfs/dbraw/zinc/25/15/57/175251557.db2.gz XQADNWWCRYWHHG-CQSZACIVSA-N 1 0 248.370 2.051 40 0 BEABRO COc1ccccc1CCCN1CCC[C@H]([NH3+])C1 ZINC000096523531 175322448 /nfs/dbraw/zinc/32/24/48/175322448.db2.gz BNYALFWKUZBGAV-AWEZNQCLSA-N 1 0 248.370 2.051 40 0 BEABRO COc1ccccc1CCCN1CCC[C@@H]([NH3+])C1 ZINC000096523532 175322654 /nfs/dbraw/zinc/32/26/54/175322654.db2.gz BNYALFWKUZBGAV-CQSZACIVSA-N 1 0 248.370 2.051 40 0 BEABRO COc1ccccc1CN1CCCC[C@@H]1C[NH3+] ZINC000044421392 175326013 /nfs/dbraw/zinc/32/60/13/175326013.db2.gz VZEUTLYGXODXCP-CYBMUJFWSA-N 1 0 234.343 2.008 40 0 BEABRO COc1ccccc1[C@H](C[NH3+])OC(C)C ZINC000043099592 175353376 /nfs/dbraw/zinc/35/33/76/175353376.db2.gz OTFBILKLUKSVON-LBPRGKRZSA-N 1 0 209.289 2.120 40 0 BEABRO C[C@@H](c1ccc(F)cc1)N1CCC([NH3+])CC1 ZINC000026514875 176015246 /nfs/dbraw/zinc/01/52/46/176015246.db2.gz PAUUNFCYVMQSCI-JTQLQIEISA-N 1 0 222.307 2.310 40 0 BEABRO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC000040539461 176055302 /nfs/dbraw/zinc/05/53/02/176055302.db2.gz LDYXEQLMMZDMQB-VXGBXAGGSA-N 1 0 219.328 2.420 40 0 BEABRO C[C@@H]1CCC[N@@H+]1C[C@H](CO)c1ccccc1 ZINC000309336839 176109084 /nfs/dbraw/zinc/10/90/84/176109084.db2.gz AYVQIOHOTIJXIA-TZMCWYRMSA-N 1 0 219.328 2.247 40 0 BEABRO C[C@@H]1C[NH2+]CCN1Cc1ccccc1Cl ZINC000041245321 176327851 /nfs/dbraw/zinc/32/78/51/176327851.db2.gz WJEFKEHMPJWMOV-SNVBAGLBSA-N 1 0 224.735 2.134 40 0 BEABRO C[C@H](c1ccccc1)N1CC[NH2+]C[C@H]1C ZINC000107052088 176328260 /nfs/dbraw/zinc/32/82/60/176328260.db2.gz OPHHITNORRLRPQ-VXGBXAGGSA-N 1 0 204.317 2.041 40 0 BEABRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)OCc1ccccc1 ZINC000073657050 176415673 /nfs/dbraw/zinc/41/56/73/176415673.db2.gz VVCFYFUPEUQVNY-DGCLKSJQSA-N 1 0 248.326 2.135 40 0 BEABRO C[C@H]1CC[C@@H]([NH2+]CCc2ccnn2C)C[C@@H]1C ZINC000097380130 177193429 /nfs/dbraw/zinc/19/34/29/177193429.db2.gz YRFQWWUPZJCZGW-RWMBFGLXSA-N 1 0 235.375 2.377 40 0 BEABRO C[C@H]1CN(CC/C=C/c2ccccc2)CC[NH2+]1 ZINC000079439952 177245596 /nfs/dbraw/zinc/24/55/96/177245596.db2.gz MPPZBOYQAFNTCD-KVEVGEHQSA-N 1 0 230.355 2.384 40 0 BEABRO C[C@H]1C[C@@]1(C[NH3+])[C@@H](O)c1cccc(Cl)c1 ZINC000216576302 177352614 /nfs/dbraw/zinc/35/26/14/177352614.db2.gz XBJANVHKFVLHTL-UWJYBYFXSA-N 1 0 225.719 2.358 40 0 BEABRO Cc1c(Cl)cccc1CN1CC[C@@H]([NH3+])C1 ZINC000038538740 177601149 /nfs/dbraw/zinc/60/11/49/177601149.db2.gz CQYPPCNVXYQXDQ-LLVKDONJSA-N 1 0 224.735 2.181 40 0 BEABRO CC(C)Cn1c(C(C)C)ccc(C[NH3+])c1=O ZINC000062198880 323090903 /nfs/dbraw/zinc/09/09/03/323090903.db2.gz GJKTWONJHHCJLM-UHFFFAOYSA-N 1 0 222.332 2.086 40 0 BEABRO CCCC[NH2+]Cc1ccnn1CC(F)(F)F ZINC000256049465 490150068 /nfs/dbraw/zinc/15/00/68/490150068.db2.gz ABBDPLARCYDVHR-UHFFFAOYSA-N 1 0 235.253 2.335 40 0 BEABRO CC(C)[C@H]([NH3+])c1cncc(Br)c1 ZINC000084191764 490303659 /nfs/dbraw/zinc/30/36/59/490303659.db2.gz MACHDQGVTVCRIA-VIFPVBQESA-N 1 0 229.121 2.500 40 0 BEABRO C[NH2+]C[C@H](O)Cc1ccccc1-c1ccccc1 ZINC000575624169 491098128 /nfs/dbraw/zinc/09/81/28/491098128.db2.gz OXXHOEDKXJLTTB-OAHLLOKOSA-N 1 0 241.334 2.476 40 0 BEABRO CC[C@H](C)n1c2ccccc2nc1C[NH3+] ZINC000040163805 517809550 /nfs/dbraw/zinc/80/95/50/517809550.db2.gz QFWQUFYTCHABMK-VIFPVBQESA-N 1 0 203.289 2.466 40 0 BEABRO C[C@@H]1CO[C@@H]2C[C@H](C(F)(F)F)C[C@@H](C[NH3+])[C@H]21 ZINC000242687531 525157535 /nfs/dbraw/zinc/15/75/35/525157535.db2.gz ULMGXBABGMHAEG-JDDHQFAOSA-N 1 0 237.265 2.185 40 0 BEABRO NC(=[NH2+])Cc1ccc(F)cc1C(F)(F)F ZINC000228969512 526817551 /nfs/dbraw/zinc/81/75/51/526817551.db2.gz BNBMBNJIRRFPCS-UHFFFAOYSA-N 1 0 220.169 2.323 40 0 BEABRO NC(=[NH2+])Cc1cc(F)ccc1C(F)(F)F ZINC000228918409 526817914 /nfs/dbraw/zinc/81/79/14/526817914.db2.gz BVLPZFCBDHTLBQ-UHFFFAOYSA-N 1 0 220.169 2.323 40 0 BEABRO NNc1cccc(C(Cl)(Cl)Cl)[nH+]1 ZINC000199546499 527283991 /nfs/dbraw/zinc/28/39/91/527283991.db2.gz IIIRBSFYVRXILV-UHFFFAOYSA-N 1 0 226.494 2.194 40 0 BEABRO C[NH+]1CCC(C(=O)NC2CCCCCC2)CC1 ZINC000074713290 592308034 /nfs/dbraw/zinc/30/80/34/592308034.db2.gz DLTCIUXPGCJBBU-UHFFFAOYSA-N 1 0 238.375 2.167 40 0 BEABRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H]([NH3+])C[C@H]21 ZINC000149688240 1166328451 /nfs/dbraw/zinc/32/84/51/1166328451.db2.gz ZLIAFMBGHSQFEC-OUAUKWLOSA-N 1 0 240.347 2.123 40 0 BEABRO Cc1cc(C[NH2+]Cc2ccccc2)n(C)n1 ZINC000041050864 178027616 /nfs/dbraw/zinc/02/76/16/178027616.db2.gz SZQNIXKLQQYAGA-UHFFFAOYSA-N 1 0 215.300 2.018 40 0 BEABRO Cc1cc(F)ccc1OC[C@@H]1CC[NH2+]C1 ZINC000038580795 178090761 /nfs/dbraw/zinc/09/07/61/178090761.db2.gz UXEPUGDAECOEFN-SNVBAGLBSA-N 1 0 209.264 2.122 40 0 BEABRO CC(C)(C)OC(=O)NC1C(C)(C)C([NH3+])C1(C)C ZINC000074942160 398211036 /nfs/dbraw/zinc/21/10/36/398211036.db2.gz JVWUWZXDMXHJTA-UHFFFAOYSA-N 1 0 242.363 2.273 40 0 BEABRO Cc1cc(=O)[nH]c([C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000072348456 178203922 /nfs/dbraw/zinc/20/39/22/178203922.db2.gz FCNWSZJQZWTJKE-LLVKDONJSA-N 1 0 235.331 2.078 40 0 BEABRO Cc1cc[n+](C[C@@H](O)c2ccccc2)cc1 ZINC000001685112 178308885 /nfs/dbraw/zinc/30/88/85/178308885.db2.gz CWDIXNGPTCGMOR-CQSZACIVSA-N 1 0 214.288 2.016 40 0 BEABRO Cc1ccc(-c2nc(C)cc(NN)[nH+]2)cc1 ZINC000008731092 178332983 /nfs/dbraw/zinc/33/29/83/178332983.db2.gz KAGKUIXYISYPGO-UHFFFAOYSA-N 1 0 214.272 2.046 40 0 BEABRO Cc1ccc(-c2cnn([C@H](C)C[NH3+])c2)cc1 ZINC000085391501 178328733 /nfs/dbraw/zinc/32/87/33/178328733.db2.gz QBYXJILDRNGOLP-LLVKDONJSA-N 1 0 215.300 2.378 40 0 BEABRO C[C@@](CO)(c1ccccc1)[NH+]1CCCCC1 ZINC000070453380 259313870 /nfs/dbraw/zinc/31/38/70/259313870.db2.gz LKDMKORGKIBSQL-CQSZACIVSA-N 1 0 219.328 2.380 40 0 BEABRO C[NH+](C)[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000070453049 259313554 /nfs/dbraw/zinc/31/35/54/259313554.db2.gz GKYFBEWQEJXFCM-JTQLQIEISA-N 1 0 233.233 2.300 40 0 BEABRO CO[C@@H](c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000072207901 259315211 /nfs/dbraw/zinc/31/52/11/259315211.db2.gz IMQNCYAFHAKTKT-STQMWFEESA-N 1 0 205.301 2.374 40 0 BEABRO O=C(c1ccccc1)N1CC[NH2+][C@H]2CCCC[C@H]21 ZINC000072210178 259316358 /nfs/dbraw/zinc/31/63/58/259316358.db2.gz YKGRKMSDSHKIMV-UONOGXRCSA-N 1 0 244.338 2.043 40 0 BEABRO CC(C)C(=O)OC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000000035427 342670616 /nfs/dbraw/zinc/67/06/16/342670616.db2.gz OKDZSBOUVNBQMR-CHWSQXEVSA-N 1 0 239.359 2.450 40 0 biogenic,in-vitro BEABRO CCOc1ccc([C@H]2CCC[N@@H+]2C)cn1 ZINC000072211765 259317582 /nfs/dbraw/zinc/31/75/82/259317582.db2.gz VXSBBWMXJVGDCY-LLVKDONJSA-N 1 0 206.289 2.247 40 0 BEABRO CN1C(c2cccnc2)=[NH+]CC12CCCC2 ZINC000001611077 342705828 /nfs/dbraw/zinc/70/58/28/342705828.db2.gz OPVYZDHEXVHXAB-UHFFFAOYSA-N 1 0 215.300 2.086 40 0 BEABRO CCN(CC)C(=O)c1cc2ccccc2[n+](C)c1 ZINC000001665422 342707452 /nfs/dbraw/zinc/70/74/52/342707452.db2.gz LKAGPMKTAAPNAK-UHFFFAOYSA-N 1 0 243.330 2.146 40 0 BEABRO O=C1CCC[C@H]1C[NH2+]Cc1ccccc1 ZINC000001717578 342711028 /nfs/dbraw/zinc/71/10/28/342711028.db2.gz KWRGIFDKCLUXGK-LBPRGKRZSA-N 1 0 203.285 2.145 40 0 BEABRO CCOc1ccc(-c2cc(C)n(C)[n+]2C)cc1 ZINC000001852039 342713148 /nfs/dbraw/zinc/71/31/48/342713148.db2.gz BNSOSNKLGOBFKL-UHFFFAOYSA-N 1 0 231.319 2.224 40 0 BEABRO C[n+]1ccc(/C=C/c2ccccc2O)cc1 ZINC000001871683 342713352 /nfs/dbraw/zinc/71/33/52/342713352.db2.gz STNHDPLZLNGCDM-UHFFFAOYSA-O 1 0 212.272 2.387 40 0 BEABRO CC(C)C(=O)[C@H](CC[NH+](C)C)c1ccncc1 ZINC000002045655 342715366 /nfs/dbraw/zinc/71/53/66/342715366.db2.gz BSSNGXCXABKDEC-CYBMUJFWSA-N 1 0 234.343 2.342 40 0 BEABRO Cc1c(C[NH2+]Cc2ccc(F)cc2)cnn1C ZINC000002536059 342723183 /nfs/dbraw/zinc/72/31/83/342723183.db2.gz CVXHIGKCTJZPNC-UHFFFAOYSA-N 1 0 233.290 2.157 40 0 BEABRO COc1ncc([C@H]([NH3+])c2ccccc2)cc1C ZINC000072221948 259320251 /nfs/dbraw/zinc/32/02/51/259320251.db2.gz AZSWCVRZGHFZHZ-CYBMUJFWSA-N 1 0 228.295 2.447 40 0 BEABRO C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000006920614 342786312 /nfs/dbraw/zinc/78/63/12/342786312.db2.gz RPLQRYXJBIJBFR-UHFFFAOYSA-N 1 0 203.285 2.211 40 0 BEABRO Cc1cc(C[NH3+])cnc1NCc1ccccc1 ZINC000072222325 259319982 /nfs/dbraw/zinc/31/99/82/259319982.db2.gz LLOGXAQZYWMWTL-UHFFFAOYSA-N 1 0 227.311 2.461 40 0 BEABRO CN(C)[C@@H](C[NH3+])c1ccc(Cl)c(F)c1 ZINC000043390182 342793748 /nfs/dbraw/zinc/79/37/48/342793748.db2.gz BLNVVRGLGBAEKX-JTQLQIEISA-N 1 0 216.687 2.041 40 0 BEABRO Cc1ccc(CN(C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000043501379 342795714 /nfs/dbraw/zinc/79/57/14/342795714.db2.gz PNBAOBFIECCROI-CQSZACIVSA-N 1 0 218.344 2.179 40 0 BEABRO C[C@@H](O)C[NH2+]Cc1cccc(Cl)c1Cl ZINC000008535099 342800147 /nfs/dbraw/zinc/80/01/47/342800147.db2.gz JOMSJONIBQHODE-SSDOTTSWSA-N 1 0 234.126 2.464 40 0 BEABRO COc1ccccc1NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000080993099 259323434 /nfs/dbraw/zinc/32/34/34/259323434.db2.gz XIAIINJVQDMPDU-LBPRGKRZSA-N 1 0 248.326 2.166 40 0 BEABRO CC(C)C[C@@H]([NH3+])c1nc2cccnc2n1C ZINC000082583469 259323273 /nfs/dbraw/zinc/32/32/73/259323273.db2.gz AWFXCSLZJSLHNV-SECBINFHSA-N 1 0 218.304 2.014 40 0 BEABRO [NH3+][C@H]1CCCC[C@H]1Oc1ccc(F)cc1 ZINC000019273130 398320693 /nfs/dbraw/zinc/32/06/93/398320693.db2.gz IOIVLHZNPOACPZ-NWDGAFQWSA-N 1 0 209.264 2.474 40 0 BEABRO [NH3+][C@@H]1C[C@@H]1c1ccc(Br)s1 ZINC000037381258 342908597 /nfs/dbraw/zinc/90/85/97/342908597.db2.gz YOZWARUYCJJUCK-CRCLSJGQSA-N 1 0 218.119 2.325 40 0 BEABRO CC[C@@H](C)Oc1ccc(C[NH3+])cc1OC ZINC000020217255 342977768 /nfs/dbraw/zinc/97/77/68/342977768.db2.gz TWIHOADTIAPKTM-SECBINFHSA-N 1 0 209.289 2.331 40 0 BEABRO COC(=O)[C@@H](C)C[NH2+][C@H](C)c1ccccc1 ZINC000035133482 343285745 /nfs/dbraw/zinc/28/57/45/343285745.db2.gz KIJCPIKSICZNKI-WDEREUQCSA-N 1 0 221.300 2.146 40 0 BEABRO CN(CC[NH3+])Cc1c(Cl)cccc1Cl ZINC000037267938 343307871 /nfs/dbraw/zinc/30/78/71/343307871.db2.gz LRRGLKZDPUVKIX-UHFFFAOYSA-N 1 0 233.142 2.384 40 0 BEABRO [NH3+][C@@H](CCc1ccccc1)c1cnccn1 ZINC000037467150 343346328 /nfs/dbraw/zinc/34/63/28/343346328.db2.gz BLOQFLXXPMGPFN-LBPRGKRZSA-N 1 0 213.284 2.109 40 0 BEABRO COC(=O)[C@H](C)C[NH2+]CCCc1ccccc1 ZINC000037486124 343346882 /nfs/dbraw/zinc/34/68/82/343346882.db2.gz ISHNNDBUVZKUEY-GFCCVEGCSA-N 1 0 235.327 2.018 40 0 BEABRO CC[C@@H](C)[NH2+]C[C@@H](C)C(=O)OC(C)(C)C ZINC000047219030 343559088 /nfs/dbraw/zinc/55/90/88/343559088.db2.gz LPQFBRZVCFPQSV-NXEZZACHSA-N 1 0 215.337 2.352 40 0 BEABRO C[C@H](C[NH2+]C(C)(C)C)C(=O)OC(C)(C)C ZINC000047219147 343559688 /nfs/dbraw/zinc/55/96/88/343559688.db2.gz WTSKXLVCKPVEPI-SECBINFHSA-N 1 0 215.337 2.352 40 0 BEABRO CCCCCC[NH2+][C@H](C)CC(=O)OC ZINC000047219171 343559713 /nfs/dbraw/zinc/55/97/13/343559713.db2.gz FPVYOYUZEHRLDK-SNVBAGLBSA-N 1 0 201.310 2.108 40 0 BEABRO COC(=O)c1ccccc1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000096311742 343668152 /nfs/dbraw/zinc/66/81/52/343668152.db2.gz RVTKLVMVCTYTAH-YOGCLGLASA-N 1 0 245.322 2.471 40 0 BEABRO CCCCOc1ccc(CN2CC[C@@H]([NH3+])C2)cc1 ZINC000096523472 343758484 /nfs/dbraw/zinc/75/84/84/343758484.db2.gz SWRQGQGIWAEEFM-CQSZACIVSA-N 1 0 248.370 2.399 40 0 BEABRO CCOC(=O)[C@H]1CC[NH2+][C@H]1c1cccc(F)c1 ZINC000257197786 344239969 /nfs/dbraw/zinc/23/99/69/344239969.db2.gz JEAZYSLWBMPPRO-RYUDHWBXSA-N 1 0 237.274 2.039 40 0 BEABRO C1CCC(c2noc(C3CC[NH2+]CC3)n2)C1 ZINC000037756509 344579519 /nfs/dbraw/zinc/57/95/19/344579519.db2.gz PNEWZHBZRSJGEQ-UHFFFAOYSA-N 1 0 221.304 2.194 40 0 BEABRO Cc1ccc(N[C@@H]2CCC[C@@H]2[NH3+])c(F)c1 ZINC000218884455 178771824 /nfs/dbraw/zinc/77/18/24/178771824.db2.gz BWUPPTTVUKAZBA-CMPLNLGQSA-N 1 0 208.280 2.426 40 0 BEABRO O[C@@]1(c2ccc(Cl)c(Cl)c2)CC[NH2+]C1 ZINC000033856649 344978667 /nfs/dbraw/zinc/97/86/67/344978667.db2.gz VTDDGZREKRAICG-JTQLQIEISA-N 1 0 232.110 2.174 40 0 BEABRO Cc1ccc(O[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000038580856 178819142 /nfs/dbraw/zinc/81/91/42/178819142.db2.gz SRWOZLYKUYJVRB-JTQLQIEISA-N 1 0 209.264 2.265 40 0 BEABRO Cc1ccc2[nH]c(N3CCCC3)nc2c1 ZINC000000226437 345421356 /nfs/dbraw/zinc/42/13/56/345421356.db2.gz YDXGSLFQTXMECW-UHFFFAOYSA-N 1 0 201.273 2.472 40 0 BEABRO CCNc1ccc([C@H]2CCC[N@@H+]2C)cn1 ZINC000039039606 323090934 /nfs/dbraw/zinc/09/09/34/323090934.db2.gz AIVCGSKEACPYBS-LLVKDONJSA-N 1 0 205.305 2.280 40 0 BEABRO OCc1ccc([C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000083693664 345919588 /nfs/dbraw/zinc/91/95/88/345919588.db2.gz OZHONUGJWHPOHV-INIZCTEOSA-N 1 0 239.318 2.414 40 0 BEABRO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000064875582 179042577 /nfs/dbraw/zinc/04/25/77/179042577.db2.gz KEJXOCOYNANZNH-LLVKDONJSA-N 1 0 232.327 2.382 40 0 BEABRO Cc1cccc(CCN2CCCC[C@H]2C[NH3+])c1 ZINC000096523607 179056975 /nfs/dbraw/zinc/05/69/75/179056975.db2.gz PIGKZGZRKXKUST-HNNXBMFYSA-N 1 0 232.371 2.351 40 0 BEABRO Cc1cccc(C[NH3+])c1I ZINC000098096512 179072432 /nfs/dbraw/zinc/07/24/32/179072432.db2.gz SDAVWNUXFCVYQB-UHFFFAOYSA-N 1 0 247.079 2.058 40 0 BEABRO Cc1cccc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1 ZINC000072397540 179084254 /nfs/dbraw/zinc/08/42/54/179084254.db2.gz SAMMNJWOFUJVTN-HIFRSBDPSA-N 1 0 245.370 2.059 40 0 BEABRO C[C@H]1CN(c2ccc(Cl)cc2N)C[C@H](C)[NH2+]1 ZINC000008702475 346562758 /nfs/dbraw/zinc/56/27/58/346562758.db2.gz QESTVEVMZBMELA-IUCAKERBSA-N 1 0 239.750 2.109 40 0 BEABRO Cc1cccc(N(C)C(=O)[C@H]2CCC[NH2+]2)c1C ZINC000077364198 179114681 /nfs/dbraw/zinc/11/46/81/179114681.db2.gz NNMYWNSPCQBDNH-GFCCVEGCSA-N 1 0 232.327 2.018 40 0 BEABRO Cc1cccc(OC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000000895922 179170947 /nfs/dbraw/zinc/17/09/47/179170947.db2.gz UNJVLELDYUHSIM-AWEZNQCLSA-N 1 0 249.354 2.221 40 0 BEABRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C[NH3+] ZINC000097759027 347285736 /nfs/dbraw/zinc/28/57/36/347285736.db2.gz JMUPBYYAOYIPQE-WDEREUQCSA-N 1 0 242.363 2.228 40 0 BEABRO CCCC[C@@H](CC)C(=O)N1CCC[NH2+]CC1 ZINC000020481611 347518369 /nfs/dbraw/zinc/51/83/69/347518369.db2.gz VGDCTWFMINIRDW-GFCCVEGCSA-N 1 0 226.364 2.025 40 0 BEABRO Cc1ccccc1CSc1nc(N)cc(N)[nH+]1 ZINC000005229307 179287677 /nfs/dbraw/zinc/28/76/77/179287677.db2.gz JSFIHWRBEBUGKU-UHFFFAOYSA-N 1 0 246.339 2.242 40 0 BEABRO COc1ccc(OC)c([C@H]2C[C@H]2[C@H](C)[NH3+])c1 ZINC000036922583 347964485 /nfs/dbraw/zinc/96/44/85/347964485.db2.gz DPZMVJPIWKFHMT-LSJOCFKGSA-N 1 0 221.300 2.155 40 0 BEABRO Cc1c(F)cccc1NC(=O)C1CC[NH2+]CC1 ZINC000043321999 187394926 /nfs/dbraw/zinc/39/49/26/187394926.db2.gz ZLLZSBZGNGBMOI-UHFFFAOYSA-N 1 0 236.290 2.072 40 0 BEABRO O=C(C[NH2+]C1CC1)Nc1ccc(F)c(Cl)c1 ZINC000037386646 348410655 /nfs/dbraw/zinc/41/06/55/348410655.db2.gz UZVGOVXEECSCMK-UHFFFAOYSA-N 1 0 242.681 2.170 40 0 BEABRO Cn1cc(-c2ccc([C@@H]3CCCC[NH2+]3)cn2)cn1 ZINC000205677044 348572510 /nfs/dbraw/zinc/57/25/10/348572510.db2.gz RZUNFFQPLXSZQV-ZDUSSCGKSA-N 1 0 242.326 2.297 40 0 BEABRO c1cc([C@H]2CC[N@@H+](Cc3ccsc3)C2)n[nH]1 ZINC000205688206 348575449 /nfs/dbraw/zinc/57/54/49/348575449.db2.gz MPLYQCLZURYFKK-NSHDSACASA-N 1 0 233.340 2.461 40 0 BEABRO Cc1cc(C[NH+]2CCC(O)CC2)ccc1F ZINC000038539682 348703886 /nfs/dbraw/zinc/70/38/86/348703886.db2.gz QGFKQMGVJRSGAY-UHFFFAOYSA-N 1 0 223.291 2.091 40 0 BEABRO C[n+]1cccc(/C=C\C(=O)Nc2ccccc2)c1 ZINC000005182547 187411517 /nfs/dbraw/zinc/41/15/17/187411517.db2.gz RVPPAVZBHGHYOB-KTKRTIGZSA-O 1 0 239.298 2.163 40 0 BEABRO CNc1ncc(C[NH2+]CCC2=CCCCC2)cn1 ZINC000062717486 259407281 /nfs/dbraw/zinc/40/72/81/259407281.db2.gz MRBVHDIXJNRIEC-UHFFFAOYSA-N 1 0 246.358 2.498 40 0 BEABRO CC[NH+](CC)C[C@H]1Cc2ccccc2N1 ZINC000039018585 349268060 /nfs/dbraw/zinc/26/80/60/349268060.db2.gz UDJRUPMXBYPCAW-GFCCVEGCSA-N 1 0 204.317 2.365 40 0 BEABRO Nc1cc(-c2ccccc2)nn1C1CC[NH2+]CC1 ZINC000083351158 191007032 /nfs/dbraw/zinc/00/70/32/191007032.db2.gz NTDVAQIRJMMRTB-UHFFFAOYSA-N 1 0 242.326 2.057 40 0 BEABRO Cc1ncccc1O[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC000257300578 180227797 /nfs/dbraw/zinc/22/77/97/180227797.db2.gz RUWAJSXSGADPHK-MBNYWOFBSA-N 1 0 232.327 2.109 40 0 BEABRO Cc1ccc(N2CC[C@H]([NH3+])C2)cc1Cl ZINC000033427017 350234613 /nfs/dbraw/zinc/23/46/13/350234613.db2.gz VDWJKKWVORJVSP-VIFPVBQESA-N 1 0 210.708 2.186 40 0 BEABRO Cc1ncnc2c1CC[N@H+](CC1CCCC1)CC2 ZINC000096254990 180290637 /nfs/dbraw/zinc/29/06/37/180290637.db2.gz ZQCNITKLPHJJQO-UHFFFAOYSA-N 1 0 245.370 2.376 40 0 BEABRO COc1ccc([C@H](C[NH3+])N2CCC[C@H](C)C2)cc1 ZINC000038827600 350324267 /nfs/dbraw/zinc/32/42/67/350324267.db2.gz JQNIKZXOVAYJTM-WFASDCNBSA-N 1 0 248.370 2.427 40 0 BEABRO Clc1ccc([C@@H]2C[NH2+]CCN2)c(Cl)c1 ZINC000038531984 180584277 /nfs/dbraw/zinc/58/42/77/180584277.db2.gz JXVBZOZKDYDRMX-JTQLQIEISA-N 1 0 231.126 2.227 40 0 BEABRO CC(=O)OCC1([NH+]2CCCC2)CCCCC1 ZINC000001621766 187756005 /nfs/dbraw/zinc/75/60/05/187756005.db2.gz BFXLYWSMHYVPLJ-UHFFFAOYSA-N 1 0 225.332 2.348 40 0 BEABRO CC(=O)Nc1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000075905300 187771487 /nfs/dbraw/zinc/77/14/87/187771487.db2.gz CTDOTIDYAMDDBR-LBPRGKRZSA-N 1 0 218.300 2.112 40 0 BEABRO C1CCC(c2noc([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000037756531 187806764 /nfs/dbraw/zinc/80/67/64/187806764.db2.gz ZKVBEWWAQDHDQW-SNVBAGLBSA-N 1 0 221.304 2.194 40 0 BEABRO c1csc(-c2nnc([C@H]3CCC[NH2+]3)o2)c1 ZINC000032013846 352735774 /nfs/dbraw/zinc/73/57/74/352735774.db2.gz DMWCSJHGMWSKQJ-SSDOTTSWSA-N 1 0 221.285 2.223 40 0 BEABRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccccc2)C1 ZINC000009876657 188104336 /nfs/dbraw/zinc/10/43/36/188104336.db2.gz SFBVGSDVKVREGX-LBPRGKRZSA-N 1 0 247.342 2.150 40 0 BEABRO Cc1ccccc1[C@@H](CN)[NH+]1CCCCC1 ZINC000038827601 188117612 /nfs/dbraw/zinc/11/76/12/188117612.db2.gz VLNKNMJEGZNBOP-CQSZACIVSA-N 1 0 218.344 2.481 40 0 BEABRO [NH3+]CCCc1csc(-c2cccnc2)n1 ZINC000041232806 188119045 /nfs/dbraw/zinc/11/90/45/188119045.db2.gz VRWVSQJRJPBAGC-UHFFFAOYSA-N 1 0 219.313 2.096 40 0 BEABRO CCCNc1ccc(C2=[NH+]CCCN2)cc1 ZINC000001606531 188159077 /nfs/dbraw/zinc/15/90/77/188159077.db2.gz KRDYWZUNEDOVDY-UHFFFAOYSA-N 1 0 217.316 2.248 40 0 BEABRO Fc1ccccc1COC[C@@H]1CCC[NH2+]1 ZINC000028521836 181012755 /nfs/dbraw/zinc/01/27/55/181012755.db2.gz ZPBKLXSKUDAQHX-NSHDSACASA-N 1 0 209.264 2.094 40 0 BEABRO CO[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000096511315 188502041 /nfs/dbraw/zinc/50/20/41/188502041.db2.gz WEIZCDNJWXGFBP-CYBMUJFWSA-N 1 0 205.301 2.297 40 0 BEABRO Cc1ccc(CN2CCCC[C@@H]2C[NH3+])cc1 ZINC000019843373 354929593 /nfs/dbraw/zinc/92/95/93/354929593.db2.gz JREOTEGZCVNMIX-CQSZACIVSA-N 1 0 218.344 2.308 40 0 BEABRO NC(=[NH2+])CCc1ccc(Br)cc1 ZINC000071533016 181186362 /nfs/dbraw/zinc/18/63/62/181186362.db2.gz FBUPEDKVYYOLLK-UHFFFAOYSA-N 1 0 227.105 2.318 40 0 BEABRO [NH3+]C[C@H](F)c1ccc(Br)cc1 ZINC000211948216 356320173 /nfs/dbraw/zinc/32/01/73/356320173.db2.gz BANSITREVGYIDM-QMMMGPOBSA-N 1 0 218.069 2.418 40 0 BEABRO Cc1nn(C)cc1C[NH2+]Cc1ccccc1 ZINC000002536045 357336708 /nfs/dbraw/zinc/33/67/08/357336708.db2.gz PPHMWTVXZRNZCB-UHFFFAOYSA-N 1 0 215.300 2.018 40 0 BEABRO CC(C)(C)c1ccc([C@@H](O)CC[NH3+])cc1 ZINC000019674771 219814902 /nfs/dbraw/zinc/81/49/02/219814902.db2.gz BWLRSHGKMGRZFV-LBPRGKRZSA-N 1 0 207.317 2.366 40 0 BEABRO CC[C@H]([NH2+]C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072207650 259523543 /nfs/dbraw/zinc/52/35/43/259523543.db2.gz WWMPDIOQYHCOOR-WDEREUQCSA-N 1 0 242.363 2.384 40 0 BEABRO CC(C)Oc1ncccc1[C@@H]1CCC[NH2+]1 ZINC000072211941 259525366 /nfs/dbraw/zinc/52/53/66/259525366.db2.gz XCFLCPBMSUBXAH-NSHDSACASA-N 1 0 206.289 2.293 40 0 BEABRO [NH3+]C1CCN(Cc2cc(F)c(F)c(F)c2)CC1 ZINC000062719117 181344352 /nfs/dbraw/zinc/34/43/52/181344352.db2.gz RQPBXNQYQPMMHE-UHFFFAOYSA-N 1 0 244.260 2.027 40 0 BEABRO [NH3+]CC1(c2ccccc2)CCC2(CC1)OCCO2 ZINC000035630115 181362885 /nfs/dbraw/zinc/36/28/85/181362885.db2.gz IHVLVGYHVPQYKR-UHFFFAOYSA-N 1 0 247.338 2.200 40 0 BEABRO [NH3+]CCCOc1ccccc1Br ZINC000019478108 181384696 /nfs/dbraw/zinc/38/46/96/181384696.db2.gz SXYBHRKTQYBUGR-UHFFFAOYSA-N 1 0 230.105 2.177 40 0 BEABRO [NH3+]CCCn1cc(-c2cccc(F)c2)cn1 ZINC000085391453 181389658 /nfs/dbraw/zinc/38/96/58/181389658.db2.gz ZGBCLRGPWYDHEL-UHFFFAOYSA-N 1 0 219.263 2.038 40 0 BEABRO [NH3+]CCCn1cc(-c2ccccc2F)cn1 ZINC000049817080 181389719 /nfs/dbraw/zinc/38/97/19/181389719.db2.gz LUJGYRNDMSYLKN-UHFFFAOYSA-N 1 0 219.263 2.038 40 0 BEABRO [NH3+]CCN(Cc1nccc2ccccc21)C1CC1 ZINC000079422058 181390744 /nfs/dbraw/zinc/39/07/44/181390744.db2.gz PFVJRNMILREGIB-UHFFFAOYSA-N 1 0 241.338 2.158 40 0 BEABRO [NH3+]CCNc1cccc(C(F)(F)F)c1 ZINC000044831375 181398432 /nfs/dbraw/zinc/39/84/32/181398432.db2.gz JWDNSYUPDYABFQ-UHFFFAOYSA-N 1 0 204.195 2.076 40 0 BEABRO [NH3+]CCOCc1ccc(C(F)(F)F)cc1 ZINC000051864681 181398979 /nfs/dbraw/zinc/39/89/79/181398979.db2.gz UMGPVAVFRGPCQK-UHFFFAOYSA-N 1 0 219.206 2.181 40 0 BEABRO FC(F)(F)c1ccccc1C[C@H]1C[NH2+]CCO1 ZINC000116503470 370793385 /nfs/dbraw/zinc/79/33/85/370793385.db2.gz NQQMONYJRRXYEH-JTQLQIEISA-N 1 0 245.244 2.236 40 0 BEABRO [NH3+]C[C@@H](CO)Cc1cccc(Cl)c1Cl ZINC000062711358 181418902 /nfs/dbraw/zinc/41/89/02/181418902.db2.gz RPCBQZHHUFVTPQ-ZETCQYMHSA-N 1 0 234.126 2.103 40 0 BEABRO [NH3+]C[C@@H]1CCCCN1Cc1c(F)cccc1F ZINC000096319957 181427845 /nfs/dbraw/zinc/42/78/45/181427845.db2.gz UAZRGPUASWFGAT-JTQLQIEISA-N 1 0 240.297 2.278 40 0 BEABRO COc1ccc(C[C@H]2CC[C@@H]3C[NH2+]C[C@H]23)cc1 ZINC000205698345 368359921 /nfs/dbraw/zinc/35/99/21/368359921.db2.gz XXYXQEWTWDLQIQ-UMVBOHGHSA-N 1 0 231.339 2.483 40 0 BEABRO [NH3+]Cc1c(Br)sc2c1CCC2 ZINC000132835023 181472803 /nfs/dbraw/zinc/47/28/03/181472803.db2.gz ADSMJBCHSYKWKM-UHFFFAOYSA-N 1 0 232.146 2.458 40 0 BEABRO CC1(C)C[C@H]([NH3+])c2cc3[nH]cnc3cc21 ZINC000057347033 369392419 /nfs/dbraw/zinc/39/24/19/369392419.db2.gz IWWKLSDLLRWYGC-VIFPVBQESA-N 1 0 201.273 2.244 40 0 BEABRO COc1cc(OC)cc([C@@H]2C[C@H]2[C@H](C)[NH3+])c1 ZINC000108019216 369371983 /nfs/dbraw/zinc/37/19/83/369371983.db2.gz SCBRMCDRXPTYCI-HJIKLVIJSA-N 1 0 221.300 2.155 40 0 BEABRO CC(=O)N1CCCC[C@H]1CC[C@@H]1CCCC[NH2+]1 ZINC000252497312 370062766 /nfs/dbraw/zinc/06/27/66/370062766.db2.gz QDLPLRVGHSLZQZ-KBPBESRZSA-N 1 0 238.375 2.310 40 0 BEABRO CCc1nc2ccccc2n1[C@@H]1CC[NH2+]C1 ZINC000062807707 370101691 /nfs/dbraw/zinc/10/16/91/370101691.db2.gz CRIUPAQFNBSLJE-SNVBAGLBSA-N 1 0 215.300 2.133 40 0 BEABRO CC1CCC2(CC1)[C@H]([NH3+])C(=O)N2c1ccccc1 ZINC000256050744 370634667 /nfs/dbraw/zinc/63/46/67/370634667.db2.gz GIIPFMIJFGGMHJ-GLWUULTISA-N 1 0 244.338 2.309 40 0 BEABRO Cc1ccc2cc(CCC[NH3+])cnc2c1 ZINC000256054911 370637881 /nfs/dbraw/zinc/63/78/81/370637881.db2.gz YHYRISLMTMXIML-UHFFFAOYSA-N 1 0 200.285 2.435 40 0 BEABRO CC(C)N1CC[NH+](C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019900077 371199052 /nfs/dbraw/zinc/19/90/52/371199052.db2.gz ZUYPESQMYNAILG-QLFBSQMISA-N 1 0 234.387 2.225 40 0 BEABRO [NH3+][C@@H]1CCCN(Cc2ccc(Cl)c(F)c2)C1 ZINC000038539723 181579538 /nfs/dbraw/zinc/57/95/38/181579538.db2.gz XAZKMEHXVPSNGJ-SNVBAGLBSA-N 1 0 242.725 2.402 40 0 BEABRO C[C@@H]1C[C@@H]2[C@@H](C[C@@H](C(F)(F)F)C[C@@H]2C[NH3+])O1 ZINC000225761785 371574505 /nfs/dbraw/zinc/57/45/05/371574505.db2.gz FWJZILYJODZJNY-FHNUBNKASA-N 1 0 237.265 2.327 40 0 BEABRO O=C(CNC1=[NH+]CCCCC1)c1ccccc1 ZINC000026506779 181974670 /nfs/dbraw/zinc/97/46/70/181974670.db2.gz UUVGFUQIWGXIMX-UHFFFAOYSA-N 1 0 230.311 2.431 40 0 BEABRO O=C(NC[C@H]1CCCC[NH2+]1)OCc1ccccc1 ZINC000039951990 182236852 /nfs/dbraw/zinc/23/68/52/182236852.db2.gz BHVZGRBXEXJUCP-CYBMUJFWSA-N 1 0 248.326 2.055 40 0 BEABRO OCC[N@H+]([C@H]1C=CCC1)C1CCCCC1 ZINC000001683351 183063851 /nfs/dbraw/zinc/06/38/51/183063851.db2.gz BPDQIAHMBNSGOD-ZDUSSCGKSA-N 1 0 209.333 2.332 40 0 BEABRO OCCOC1CCC([NH2+]Cc2ccccc2)CC1 ZINC000079390549 183080926 /nfs/dbraw/zinc/08/09/26/183080926.db2.gz UKHVRCQSPPWUJS-UHFFFAOYSA-N 1 0 249.354 2.096 40 0 BEABRO O[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000037165399 183197085 /nfs/dbraw/zinc/19/70/85/183197085.db2.gz ADACSZOIFGMJFT-QWHCGFSZSA-N 1 0 205.301 2.080 40 0 in-vitro BEABRO O[C@H](c1cccc2ncccc21)[C@H]1CCCC[NH2+]1 ZINC000001873722 183229788 /nfs/dbraw/zinc/22/97/88/183229788.db2.gz GLUILMXLFMYLMU-HUUCEWRRSA-N 1 0 242.322 2.410 40 0 BEABRO O[C@@H]1[C@@H]2CC[C@H]1[C@H]([NH+]1CCCCC1)CC2 ZINC000000507079 183249471 /nfs/dbraw/zinc/24/94/71/183249471.db2.gz OTFFUZVPVSDGHV-YVECIDJPSA-N 1 0 209.333 2.022 40 0 BEABRO O[C@@H]1[C@@H]2CCC[C@H]1[C@@H]([NH+]1CCCCC1)CC2 ZINC000004094050 183249493 /nfs/dbraw/zinc/24/94/93/183249493.db2.gz JFIGMNBDLSGWHQ-ZOBORPQBSA-N 1 0 223.360 2.412 40 0 BEABRO O[C@@H]1[C@@H]2CCC[C@H]1[C@@H]([NH+]1CCCC1)CC2 ZINC000004044750 183249643 /nfs/dbraw/zinc/24/96/43/183249643.db2.gz KEVUJQHBGRUWPR-MROQNXINSA-N 1 0 209.333 2.022 40 0 BEABRO CCC[NH+](CCC)CC(=O)OC(C)C ZINC000049750786 169147081 /nfs/dbraw/zinc/14/70/81/169147081.db2.gz QDFSAWYUMXCSIP-UHFFFAOYSA-N 1 0 201.310 2.060 40 0 BEABRO c1cc(C[C@@H]2CCC[N@@H+](CC3CCC3)C2)n[nH]1 ZINC000257328642 183355054 /nfs/dbraw/zinc/35/50/54/183355054.db2.gz XGNYMGYWZBLCEN-ZDUSSCGKSA-N 1 0 233.359 2.464 40 0 BEABRO CCC[NH2+][C@H](C)Cc1ccc2c(c1)OCO2 ZINC000013673730 169285896 /nfs/dbraw/zinc/28/58/96/169285896.db2.gz LBXMQBTXOLBCCA-SNVBAGLBSA-N 1 0 221.300 2.346 40 0 in-vitro BEABRO c1csc(C[NH2+]CCc2ccccn2)c1 ZINC000019916467 183393287 /nfs/dbraw/zinc/39/32/87/183393287.db2.gz APEACHBNZNBVMA-UHFFFAOYSA-N 1 0 218.325 2.475 40 0 BEABRO CCC[NH2+]Cc1cc2cc(C)ccc2[nH]c1=O ZINC000089261564 169267133 /nfs/dbraw/zinc/26/71/33/169267133.db2.gz PFGSOEQUUVBVMJ-UHFFFAOYSA-N 1 0 230.311 2.336 40 0 BEABRO CCC[NH2+]Cc1cnn(C2CCCC2)c1 ZINC000040932630 169269009 /nfs/dbraw/zinc/26/90/09/169269009.db2.gz QUFNANLJIFMFOW-UHFFFAOYSA-N 1 0 207.321 2.498 40 0 BEABRO c1nc([C@H]2CCC[NH2+]C2)cnc1NC1CCCC1 ZINC000072386459 183538211 /nfs/dbraw/zinc/53/82/11/183538211.db2.gz OSKTYDNUMVMRCC-NSHDSACASA-N 1 0 246.358 2.298 40 0 BEABRO c1ccc(CN2CC[C@H]([NH2+]C3CC3)C2)cc1 ZINC000034973310 383820784 /nfs/dbraw/zinc/82/07/84/383820784.db2.gz HTTXVNRPINIIHA-AWEZNQCLSA-N 1 0 216.328 2.013 40 0 BEABRO C[n+]1cccc2cc(Br)ccc21 ZINC000001707120 383926286 /nfs/dbraw/zinc/92/62/86/383926286.db2.gz GSFWAPSMBGTFTN-UHFFFAOYSA-N 1 0 223.093 2.427 40 0 BEABRO Fc1c(Cl)cccc1CN1CCC[NH2+]CC1 ZINC000067799694 383945708 /nfs/dbraw/zinc/94/57/08/383945708.db2.gz FKVOOVHBNMNKLI-UHFFFAOYSA-N 1 0 242.725 2.274 40 0 BEABRO C[C@@H]([NH3+])COCc1ccccc1OC(F)F ZINC000089262710 383954608 /nfs/dbraw/zinc/95/46/08/383954608.db2.gz DZKLATWERPXHSH-MRVPVSSYSA-N 1 0 231.242 2.152 40 0 BEABRO [NH3+][C@H](c1cccc(F)c1)C1CCOCC1 ZINC000068956941 384025143 /nfs/dbraw/zinc/02/51/43/384025143.db2.gz ZTBOQGBLGPVUBW-LBPRGKRZSA-N 1 0 209.264 2.252 40 0 BEABRO c1cnc(Nc2cccc([C@@H]3CCC[NH2+]3)n2)nc1 ZINC000072376492 384027794 /nfs/dbraw/zinc/02/77/94/384027794.db2.gz FJKZICSNLVSHPH-JTQLQIEISA-N 1 0 241.298 2.040 40 0 BEABRO CC(C)N1CCCC[C@H](C2CC[NH2+]CC2)C1=O ZINC000072343504 384207358 /nfs/dbraw/zinc/20/73/58/384207358.db2.gz VRYLWURBECVNDK-CYBMUJFWSA-N 1 0 238.375 2.023 40 0 BEABRO CCCC[C@@H](CC)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000071978901 384190640 /nfs/dbraw/zinc/19/06/40/384190640.db2.gz SEWVWPDQTJUGNR-VXGBXAGGSA-N 1 0 226.364 2.023 40 0 BEABRO c1cnc2ccc(C[C@@H]3C[NH2+]CCOC3)cc2c1 ZINC000072344407 384207865 /nfs/dbraw/zinc/20/78/65/384207865.db2.gz OLTLEYYHQWUCTF-CYBMUJFWSA-N 1 0 242.322 2.013 40 0 BEABRO Cc1noc([C@@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000072356832 384209841 /nfs/dbraw/zinc/20/98/41/384209841.db2.gz WBSNTULMMPGVAN-SNVBAGLBSA-N 1 0 221.304 2.110 40 0 BEABRO c1ncc([C@@H]2CCC[NH2+]2)nc1NC1CCCC1 ZINC000072386454 384219234 /nfs/dbraw/zinc/21/92/34/384219234.db2.gz ROJHDPKETSUQPB-NSHDSACASA-N 1 0 232.331 2.256 40 0 BEABRO Cc1ccc2c(c1)C(=O)C[C@@]1(C[C@H]3CC[C@@H]1[NH2+]3)O2 ZINC000072398204 384221206 /nfs/dbraw/zinc/22/12/06/384221206.db2.gz HYWWUAGPPPYSGD-WKPIXPDZSA-N 1 0 243.306 2.223 40 0 BEABRO [NH3+]Cc1cn(-c2ccc(F)c(Cl)c2)cn1 ZINC000082540315 384258061 /nfs/dbraw/zinc/25/80/61/384258061.db2.gz LRRVLHBXLJXYKK-UHFFFAOYSA-N 1 0 225.654 2.124 40 0 BEABRO C[NH+]1CCC(O)(c2cc(F)c(F)c(F)c2)CC1 ZINC000079030463 384264900 /nfs/dbraw/zinc/26/49/00/384264900.db2.gz HKAAGGUOMNDBNX-UHFFFAOYSA-N 1 0 245.244 2.017 40 0 BEABRO COc1c(C)cc(C2(O)CC[NH+](C)CC2)cc1C ZINC000079030411 384265746 /nfs/dbraw/zinc/26/57/46/384265746.db2.gz UXVPMFIDGADOSK-UHFFFAOYSA-N 1 0 249.354 2.225 40 0 BEABRO FC(F)(F)c1cccc(NC2CC[NH2+]CC2)n1 ZINC000044271893 384324680 /nfs/dbraw/zinc/32/46/80/384324680.db2.gz VSFHDKUSAOHYML-UHFFFAOYSA-N 1 0 245.248 2.264 40 0 BEABRO CC[C@H]([NH2+]C)c1cccc(OC)c1OC ZINC000084388795 384391720 /nfs/dbraw/zinc/39/17/20/384391720.db2.gz QZSCKQPPFMOERW-JTQLQIEISA-N 1 0 209.289 2.374 40 0 BEABRO Fc1ccc2c(c1)NCCC1(CC[NH2+]CC1)O2 ZINC000096028985 384422404 /nfs/dbraw/zinc/42/24/04/384422404.db2.gz QUJUWQPTZDRWQG-UHFFFAOYSA-N 1 0 236.290 2.142 40 0 BEABRO C[NH2+][C@H](C)C(=O)c1cccc(Br)c1 ZINC000013985176 384380553 /nfs/dbraw/zinc/38/05/53/384380553.db2.gz PXLYROINIXKFAW-SSDOTTSWSA-N 1 0 242.116 2.240 40 0 in-vitro BEABRO C[NH+](C)CCCCOc1cccc(C=O)c1 ZINC000096234417 384445421 /nfs/dbraw/zinc/44/54/21/384445421.db2.gz PDLJENOCICJVCW-UHFFFAOYSA-N 1 0 221.300 2.220 40 0 BEABRO Cc1ccc(C[NH+]2C[C@@H]3COC[C@H]3C2)cc1 ZINC000096054903 384429094 /nfs/dbraw/zinc/42/90/94/384429094.db2.gz CNGRAOAKMAGIBK-ZIAGYGMSSA-N 1 0 217.312 2.073 40 0 BEABRO C[C@@H]1[NH2+]CCc2cc3c(cc21)OCCCO3 ZINC000017043813 384480128 /nfs/dbraw/zinc/48/01/28/384480128.db2.gz QUYZCGGLMLPAJR-VIFPVBQESA-N 1 0 219.284 2.055 40 0 BEABRO CC(C)(C)c1ccc([C@H](O)CC[NH3+])cc1 ZINC000019674773 384530769 /nfs/dbraw/zinc/53/07/69/384530769.db2.gz BWLRSHGKMGRZFV-GFCCVEGCSA-N 1 0 207.317 2.366 40 0 BEABRO CC(C)N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000019789999 384537965 /nfs/dbraw/zinc/53/79/65/384537965.db2.gz ZKNGMOFSLSZLST-BFHYXJOUSA-N 1 0 222.376 2.201 40 0 BEABRO COc1cc(F)ccc1[C@H]1CCC[NH2+]C1 ZINC000082949179 384613054 /nfs/dbraw/zinc/61/30/54/384613054.db2.gz OUKPVYBISCCDOI-VIFPVBQESA-N 1 0 209.264 2.301 40 0 BEABRO C[NH2+][C@H](C)C[C@]12C[C@H]3C[C@H](C[C@](O)(C3)C1)C2 ZINC000100262211 384627622 /nfs/dbraw/zinc/62/76/22/384627622.db2.gz STEFEEAVJHCPMZ-RKQHYHRCSA-N 1 0 223.360 2.316 40 0 BEABRO c1ccc(CN2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC000082346684 384672172 /nfs/dbraw/zinc/67/21/72/384672172.db2.gz UCKQWPTZJAOXHJ-OAHLLOKOSA-N 1 0 230.355 2.405 40 0 BEABRO [NH3+][C@H]1CC[C@H](N2Cc3cccc(F)c3C2=O)CC1 ZINC000100806669 384652867 /nfs/dbraw/zinc/65/28/67/384652867.db2.gz VPQBIPSVFUOWAI-PHIMTYICSA-N 1 0 248.301 2.051 40 0 BEABRO [NH3+][C@H]1C=C(C(F)(F)F)NC=C1c1ccccc1 ZINC000101027453 384660699 /nfs/dbraw/zinc/66/06/99/384660699.db2.gz JJRBFERRYCUWKX-JTQLQIEISA-N 1 0 240.228 2.404 40 0 BEABRO C1C[C@H](c2nc(C3CCCCC3)no2)C[NH2+]1 ZINC000062119631 384681903 /nfs/dbraw/zinc/68/19/03/384681903.db2.gz YDEMCTMALQKFEI-JTQLQIEISA-N 1 0 221.304 2.194 40 0 BEABRO CC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000084369185 384682756 /nfs/dbraw/zinc/68/27/56/384682756.db2.gz KYCYYTIPNGMWBT-ZDUSSCGKSA-N 1 0 205.301 2.033 40 0 BEABRO C[NH2+][C@@]1(c2ccccc2)CCCCC1=O ZINC000053246775 384775873 /nfs/dbraw/zinc/77/58/73/384775873.db2.gz ZAGBSZSITDFFAF-CYBMUJFWSA-N 1 0 203.285 2.244 40 0 in-vitro BEABRO CCN(CC)c1ccc([C@H]2C[C@@H]2[NH3+])cc1 ZINC000062494916 384780879 /nfs/dbraw/zinc/78/08/79/384780879.db2.gz GVMVJVUMXASALG-OLZOCXBDSA-N 1 0 204.317 2.347 40 0 BEABRO [NH3+]Cc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000062152752 384767030 /nfs/dbraw/zinc/76/70/30/384767030.db2.gz GBCHBEUIOXYVEW-UHFFFAOYSA-N 1 0 215.178 2.040 40 0 BEABRO CCc1ccc(C2(O)CC[NH+](C)CC2)cc1 ZINC000053296671 384783593 /nfs/dbraw/zinc/78/35/93/384783593.db2.gz BFCLWPXEIBYUFG-UHFFFAOYSA-N 1 0 219.328 2.162 40 0 BEABRO CCO[C@H](C[NH2+]C)c1c(F)cccc1F ZINC000062711596 384844368 /nfs/dbraw/zinc/84/43/68/384844368.db2.gz JBBIAFKKCXPUAK-SNVBAGLBSA-N 1 0 215.243 2.262 40 0 BEABRO CCO[C@H](C[NH2+]C)c1cc(OC)ccc1OC ZINC000062711545 384852558 /nfs/dbraw/zinc/85/25/58/384852558.db2.gz MQULZARVIPALLP-CYBMUJFWSA-N 1 0 239.315 2.001 40 0 BEABRO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000148753964 384902480 /nfs/dbraw/zinc/90/24/80/384902480.db2.gz WFNGGMDLHFWFRK-NXEZZACHSA-N 1 0 228.336 2.029 40 0 BEABRO Clc1ccc(CN[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000072203696 385054283 /nfs/dbraw/zinc/05/42/83/385054283.db2.gz ZLNSBBRQALYJSN-JTQLQIEISA-N 1 0 245.153 2.445 40 0 BEABRO CC[C@@H]([NH2+]C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072207651 385060967 /nfs/dbraw/zinc/06/09/67/385060967.db2.gz WWMPDIOQYHCOOR-GHMZBOCLSA-N 1 0 242.363 2.384 40 0 BEABRO CCOc1ccc([C@@H]2CCCC[NH2+]2)cn1 ZINC000072211791 385070376 /nfs/dbraw/zinc/07/03/76/385070376.db2.gz MUIOATMAWURDAO-NSHDSACASA-N 1 0 206.289 2.295 40 0 BEABRO COc1ncccc1[C@@H]1CCCC[N@@H+]1C ZINC000072211734 385070579 /nfs/dbraw/zinc/07/05/79/385070579.db2.gz XVTVWKGBYRLWLE-NSHDSACASA-N 1 0 206.289 2.247 40 0 BEABRO CC[N@@H+]1CCC[C@H]1c1cccnc1OC ZINC000072211713 385070902 /nfs/dbraw/zinc/07/09/02/385070902.db2.gz CSSGRURCIRLJAR-NSHDSACASA-N 1 0 206.289 2.247 40 0 BEABRO CCOc1ccc([C@H]2CCCC[NH2+]2)cn1 ZINC000072211792 385071524 /nfs/dbraw/zinc/07/15/24/385071524.db2.gz MUIOATMAWURDAO-LLVKDONJSA-N 1 0 206.289 2.295 40 0 BEABRO COc1ccc([C@@H]2CCCC[N@@H+]2C)cn1 ZINC000072211678 385072287 /nfs/dbraw/zinc/07/22/87/385072287.db2.gz FWFQSNCGOZDMOU-NSHDSACASA-N 1 0 206.289 2.247 40 0 BEABRO CC[N@@H+]1CCCC[C@H]1c1ccc(N)nc1 ZINC000072212377 385074937 /nfs/dbraw/zinc/07/49/37/385074937.db2.gz JXUSSEFDMWGBEN-NSHDSACASA-N 1 0 205.305 2.211 40 0 BEABRO CNc1ncccc1[C@@H]1CCCCN1C(C)=O ZINC000072212571 385075054 /nfs/dbraw/zinc/07/50/54/385075054.db2.gz HMWSAJONKGMWPV-LBPRGKRZSA-N 1 0 233.315 2.197 40 0 BEABRO CC(C)C[N@@H+]1CCC[C@@H]1c1cccnc1N ZINC000072212421 385075731 /nfs/dbraw/zinc/07/57/31/385075731.db2.gz HHMXSNMTRRKTPH-GFCCVEGCSA-N 1 0 219.332 2.457 40 0 BEABRO CC(C)[N@@H+]1CCC[C@@H]1c1cccnc1N ZINC000072212417 385075824 /nfs/dbraw/zinc/07/58/24/385075824.db2.gz PZWDHBGYALOADY-LLVKDONJSA-N 1 0 205.305 2.209 40 0 BEABRO CCOc1ncccc1[C@@H]1CCCC[NH2+]1 ZINC000072211851 385076716 /nfs/dbraw/zinc/07/67/16/385076716.db2.gz PSKVIWVRHQYDEN-NSHDSACASA-N 1 0 206.289 2.295 40 0 BEABRO CN(C)c1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC000072212610 385079866 /nfs/dbraw/zinc/07/98/66/385079866.db2.gz BXPINGFIPDUQQY-GFCCVEGCSA-N 1 0 219.332 2.304 40 0 BEABRO CN(C)c1ncccc1C1=[NH+]CCCC1 ZINC000072212667 385080356 /nfs/dbraw/zinc/08/03/56/385080356.db2.gz GKASRTRJHWDBDS-UHFFFAOYSA-N 1 0 203.289 2.121 40 0 BEABRO Cc1cccc(-c2nnc([C@H]([NH3+])C(C)C)[nH]2)c1 ZINC000095534786 385045403 /nfs/dbraw/zinc/04/54/03/385045403.db2.gz BSTBVHUPGWFVHB-LLVKDONJSA-N 1 0 230.315 2.436 40 0 BEABRO Cc1cccc(-c2nnc([C@@H]([NH3+])C(C)C)[nH]2)c1 ZINC000095534787 385046878 /nfs/dbraw/zinc/04/68/78/385046878.db2.gz BSTBVHUPGWFVHB-NSHDSACASA-N 1 0 230.315 2.436 40 0 BEABRO Cc1occc1-c1n[nH]c([C@@H]([NH3+])C(C)C)n1 ZINC000095534727 385046887 /nfs/dbraw/zinc/04/68/87/385046887.db2.gz HUDZIHOBHVNLIH-VIFPVBQESA-N 1 0 220.276 2.029 40 0 BEABRO Cc1cc(N2CCCC2)ncc1[C@H](C)[NH3+] ZINC000072223480 385112561 /nfs/dbraw/zinc/11/25/61/385112561.db2.gz AXHZTJHZLOUICX-JTQLQIEISA-N 1 0 205.305 2.010 40 0 BEABRO CC[C@H]([NH3+])c1cnc(NC2CC2)c(C)c1 ZINC000072222774 385112589 /nfs/dbraw/zinc/11/25/89/385112589.db2.gz PTKIRIPYJGANNQ-NSHDSACASA-N 1 0 205.305 2.374 40 0 BEABRO COc1ccc([C@@H]([NH3+])c2ccccc2)c(C)n1 ZINC000072224030 385116094 /nfs/dbraw/zinc/11/60/94/385116094.db2.gz CCOYMWWETDIYPC-AWEZNQCLSA-N 1 0 228.295 2.447 40 0 BEABRO CC[C@@H]([NH3+])c1ccc(N2CCCC2)nc1 ZINC000072225437 385119648 /nfs/dbraw/zinc/11/96/48/385119648.db2.gz QPXPXHAQPXIZNT-LLVKDONJSA-N 1 0 205.305 2.092 40 0 BEABRO COc1ncc([C@@H]2CCCC[NH2+]2)cc1C ZINC000072217733 385089805 /nfs/dbraw/zinc/08/98/05/385089805.db2.gz MPUFJIBZIBBTIY-NSHDSACASA-N 1 0 206.289 2.213 40 0 BEABRO c1cc(N2CCCC2)ncc1[C@H]1CCC[NH2+]1 ZINC000072215905 385094770 /nfs/dbraw/zinc/09/47/70/385094770.db2.gz RUXOOJLVDPWHMV-GFCCVEGCSA-N 1 0 217.316 2.106 40 0 BEABRO Cc1cc(C2=[NH+]CCCC2)cnc1N(C)C ZINC000072218631 385100601 /nfs/dbraw/zinc/10/06/01/385100601.db2.gz HHAJXCNHBRGRSK-UHFFFAOYSA-N 1 0 217.316 2.429 40 0 BEABRO Cc1cc([C@H]2CCC[N@@H+]2C)cnc1N(C)C ZINC000072218606 385100906 /nfs/dbraw/zinc/10/09/06/385100906.db2.gz UNPPCLUUMQTOMA-GFCCVEGCSA-N 1 0 219.332 2.223 40 0 BEABRO CC[N@@H+]1CCC[C@H]1c1c[nH]c(=O)cc1C ZINC000072218132 385102130 /nfs/dbraw/zinc/10/21/30/385102130.db2.gz MOJFHVHYVXQKNE-NSHDSACASA-N 1 0 206.289 2.252 40 0 BEABRO CNc1ccc([C@@H]2CCC[N@@H+]2C)c(C)n1 ZINC000072219085 385104054 /nfs/dbraw/zinc/10/40/54/385104054.db2.gz FNBBUAFVDRBJTA-NSHDSACASA-N 1 0 205.305 2.198 40 0 BEABRO c1ccc([C@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000306125781 385236188 /nfs/dbraw/zinc/23/61/88/385236188.db2.gz DBXZIYYRNBVLBF-ZIAGYGMSSA-N 1 0 217.312 2.313 40 0 BEABRO [NH3+]C[C@@H]1CCCCN1CCc1cccc(F)c1 ZINC000096523595 385266878 /nfs/dbraw/zinc/26/68/78/385266878.db2.gz TWHDMAONWCCENB-AWEZNQCLSA-N 1 0 236.334 2.181 40 0 BEABRO [NH3+][C@H]1CCCN(Cc2cc(F)ccc2Cl)C1 ZINC000096523535 385267962 /nfs/dbraw/zinc/26/79/62/385267962.db2.gz VYFQPYRYGNABJO-NSHDSACASA-N 1 0 242.725 2.402 40 0 BEABRO Cc1ccc(CCN2CCCC[C@H]2C[NH3+])cc1 ZINC000096523603 385269363 /nfs/dbraw/zinc/26/93/63/385269363.db2.gz IYMYONPQPCUSEO-HNNXBMFYSA-N 1 0 232.371 2.351 40 0 BEABRO [NH3+][C@@H]1CCN(CCCCc2ccccc2)C1 ZINC000096523508 385269401 /nfs/dbraw/zinc/26/94/01/385269401.db2.gz QDCDHPAYFIOVID-CQSZACIVSA-N 1 0 218.344 2.042 40 0 BEABRO [NH3+][C@H]1CCN(CCCC2CCCCC2)C1 ZINC000096523513 385269509 /nfs/dbraw/zinc/26/95/09/385269509.db2.gz KDDMXPVXTDQVRK-ZDUSSCGKSA-N 1 0 210.365 2.380 40 0 BEABRO [NH3+][C@H]1CCN(Cc2cc(Cl)ccc2F)C1 ZINC000096523491 385269748 /nfs/dbraw/zinc/26/97/48/385269748.db2.gz CMLICXZTWSTRQQ-JTQLQIEISA-N 1 0 228.698 2.012 40 0 BEABRO CCc1ccc(N2CC[C@H](OCCC[NH3+])C2)cc1 ZINC000096528382 385274456 /nfs/dbraw/zinc/27/44/56/385274456.db2.gz IOVVMYBDJTUSHB-HNNXBMFYSA-N 1 0 248.370 2.193 40 0 BEABRO Nc1ccccc1OC1CC[NH+](C2CC2)CC1 ZINC000096526677 385280573 /nfs/dbraw/zinc/28/05/73/385280573.db2.gz KBMLNFOSTKBRMR-UHFFFAOYSA-N 1 0 232.327 2.274 40 0 BEABRO CSc1ncc(C[NH2+]Cc2ccccc2)cn1 ZINC000062717194 385713359 /nfs/dbraw/zinc/71/33/59/385713359.db2.gz KDXOUPYKBDOIRY-UHFFFAOYSA-N 1 0 245.351 2.488 40 0 BEABRO C[C@H](N[C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000242688178 385747572 /nfs/dbraw/zinc/74/75/72/385747572.db2.gz VJNYIIHZUKMQSU-CYZMBNFOSA-N 1 0 204.317 2.217 40 0 BEABRO Nc1nc2nc([C@@H]3CCCC[NH2+]3)ccc2s1 ZINC000257198017 385752437 /nfs/dbraw/zinc/75/24/37/385752437.db2.gz QISLSIFHCWIKJL-ZETCQYMHSA-N 1 0 234.328 2.088 40 0 BEABRO Cc1ccnc([C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000257288414 385762052 /nfs/dbraw/zinc/76/20/52/385762052.db2.gz PUBYBIWMKZJSQV-GFCCVEGCSA-N 1 0 219.332 2.373 40 0 BEABRO C(O[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)C1CCCC1 ZINC000306133086 385992087 /nfs/dbraw/zinc/99/20/87/385992087.db2.gz MBHRFNVHFKBORM-UONOGXRCSA-N 1 0 239.359 2.104 40 0 BEABRO Clc1ccc2c(c1)[C@]1(CCC2)COCC[NH2+]1 ZINC000306145356 385992718 /nfs/dbraw/zinc/99/27/18/385992718.db2.gz CHVUFDDVZSOFML-ZDUSSCGKSA-N 1 0 237.730 2.491 40 0 BEABRO C[C@H]1c2ccc(O)cc2[C@]2(C)CC[N@@H+](C)[C@H]12 ZINC000032119720 385970281 /nfs/dbraw/zinc/97/02/81/385970281.db2.gz YPKISZQTKHQMFL-FZZIBODNSA-N 1 0 217.312 2.471 40 0 BEABRO Cc1ccc(O)c(C)c1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000077287193 386163018 /nfs/dbraw/zinc/16/30/18/386163018.db2.gz CVZXIWSYOWTQAS-NSHDSACASA-N 1 0 248.326 2.090 40 0 in-vitro BEABRO Cc1ccc2c(c1)OC1(CC[NH+](C)CC1)CC2=O ZINC000225816275 386219704 /nfs/dbraw/zinc/21/97/04/386219704.db2.gz ZIXWFHDUNAKURC-UHFFFAOYSA-N 1 0 245.322 2.425 40 0 BEABRO CC(C)Cc1ccc(C[NH2+]C[C@@H]2CCCO2)[nH]1 ZINC000226019901 386232079 /nfs/dbraw/zinc/23/20/79/386232079.db2.gz VVMIXLJKIGWEKT-AWEZNQCLSA-N 1 0 236.359 2.482 40 0 BEABRO Cc1ccc(N[C@H]2CCC[C@@H]2[NH3+])c(F)c1 ZINC000218884529 386511081 /nfs/dbraw/zinc/51/10/81/386511081.db2.gz BWUPPTTVUKAZBA-JQWIXIFHSA-N 1 0 208.280 2.426 40 0 BEABRO CC(C)C(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC000067209471 387096166 /nfs/dbraw/zinc/09/61/66/387096166.db2.gz CBXDPKOKEXEVSD-ZDUSSCGKSA-N 1 0 246.354 2.162 40 0 BEABRO C[C@@H](CC(N)=O)[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000096486251 387230163 /nfs/dbraw/zinc/23/01/63/387230163.db2.gz IBTZBNVEJUCUQT-SUNKGSAMSA-N 1 0 246.354 2.479 40 0 BEABRO C[NH2+][C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000053201451 387534706 /nfs/dbraw/zinc/53/47/06/387534706.db2.gz FDQRRBLFTPFTGQ-ZDUSSCGKSA-N 1 0 222.307 2.010 40 0 BEABRO C[NH+](C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000039325938 387594171 /nfs/dbraw/zinc/59/41/71/387594171.db2.gz JGMMNOYMEULLTJ-NSHDSACASA-N 1 0 242.363 2.195 40 0 BEABRO Cc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)o1 ZINC000072324417 387647919 /nfs/dbraw/zinc/64/79/19/387647919.db2.gz UYQGLBTWCVURPF-WCQYABFASA-N 1 0 234.343 2.257 40 0 BEABRO [NH3+][C@H]1CC[C@H](Nc2ncnc3ccccc32)CC1 ZINC000252584720 387857092 /nfs/dbraw/zinc/85/70/92/387857092.db2.gz CJNYIVKKOKHUIN-XYPYZODXSA-N 1 0 242.326 2.312 40 0 BEABRO CC[C@@H](C)n1nccc1C[NH2+]C[C@@H]1CCCO1 ZINC000256051102 387858540 /nfs/dbraw/zinc/85/85/40/387858540.db2.gz HSCYJSXBRXJCHC-YPMHNXCESA-N 1 0 237.347 2.123 40 0 BEABRO CC[C@H](C)n1nccc1C[NH2+]C[C@H]1CCCO1 ZINC000256051101 387858676 /nfs/dbraw/zinc/85/86/76/387858676.db2.gz HSCYJSXBRXJCHC-WCQYABFASA-N 1 0 237.347 2.123 40 0 BEABRO CCCC[NH2+]Cc1cnn(C)c1C(F)(F)F ZINC000256052244 387860824 /nfs/dbraw/zinc/86/08/24/387860824.db2.gz MNRGCSGCJBZDAM-UHFFFAOYSA-N 1 0 235.253 2.329 40 0 BEABRO FCCn1cc(C[NH2+]CCc2ccccc2)cn1 ZINC000256054955 387861847 /nfs/dbraw/zinc/86/18/47/387861847.db2.gz YMCDGQXWQQBIGJ-UHFFFAOYSA-N 1 0 247.317 2.185 40 0 BEABRO CCCC[NH2+]Cc1cnn(CC(F)F)c1 ZINC000256053963 387863496 /nfs/dbraw/zinc/86/34/96/387863496.db2.gz UJNLWGTZJIWGRN-UHFFFAOYSA-N 1 0 217.263 2.038 40 0 BEABRO CN[C@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000050269855 387954195 /nfs/dbraw/zinc/95/41/95/387954195.db2.gz ZNSDEAVRHBLAGK-SECBINFHSA-N 1 0 219.115 2.213 40 0 BEABRO C[NH2+][C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000039951997 388013945 /nfs/dbraw/zinc/01/39/45/388013945.db2.gz NTHKMYRCEUJLOL-ZDUSSCGKSA-N 1 0 248.326 2.007 40 0 BEABRO COc1cc2c(cc1Br)CC[C@@H]2[NH3+] ZINC000238397634 388019687 /nfs/dbraw/zinc/01/96/87/388019687.db2.gz PREAMTQTMHPVCF-VIFPVBQESA-N 1 0 242.116 2.404 40 0 BEABRO CC[C@H]1[NH2+]CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000216536485 388356631 /nfs/dbraw/zinc/35/66/31/388356631.db2.gz HTUWJVPCNGAXBL-MJBXVCDLSA-N 1 0 219.328 2.498 40 0 BEABRO CC(C)c1ccc([C@H]2CN(C)C[C@H]2[NH3+])cc1 ZINC000242649266 388400157 /nfs/dbraw/zinc/40/01/57/388400157.db2.gz RZAQKRLKXBQPIV-ZIAGYGMSSA-N 1 0 218.344 2.166 40 0 BEABRO Clc1ccc2c(c1)OCC21CC[NH2+]CC1 ZINC000255190464 388676235 /nfs/dbraw/zinc/67/62/35/388676235.db2.gz XJMDJXGBYBBDBO-UHFFFAOYSA-N 1 0 223.703 2.354 40 0 BEABRO Cc1ccc([C@@H](C)O[C@H]2CC[NH2+]C2)c(C)n1 ZINC000252488750 388653400 /nfs/dbraw/zinc/65/34/00/388653400.db2.gz IXXRNOQIHCRCST-NEPJUHHUSA-N 1 0 220.316 2.138 40 0 BEABRO [NH3+]C[C@]1(CO)C[C@@H]1c1cccc(Cl)c1Cl ZINC000062713551 388655077 /nfs/dbraw/zinc/65/50/77/388655077.db2.gz MJDQUHRGPPKQNS-KCJUWKMLSA-N 1 0 246.137 2.418 40 0 BEABRO [NH3+]C[C@@]1(CO)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000062713789 388655323 /nfs/dbraw/zinc/65/53/23/388655323.db2.gz BBNDOWPZRLHQRV-GHMZBOCLSA-N 1 0 245.244 2.130 40 0 BEABRO CNc1ncc(C[NH2+]C2CCCCCC2)cn1 ZINC000062717465 388656145 /nfs/dbraw/zinc/65/61/45/388656145.db2.gz QSFPCCQPHXUBJP-UHFFFAOYSA-N 1 0 234.347 2.331 40 0 BEABRO C[NH2+][C@H]1CC[C@H](Cc2ccccn2)CC1 ZINC000257252669 388698059 /nfs/dbraw/zinc/69/80/59/388698059.db2.gz JVQOOIZBDITANP-HAQNSBGRSA-N 1 0 204.317 2.402 40 0 BEABRO Fc1cccc(Cl)c1CNC1CC[NH2+]CC1 ZINC000067802675 388702186 /nfs/dbraw/zinc/70/21/86/388702186.db2.gz WALGHMVURHKQOH-UHFFFAOYSA-N 1 0 242.725 2.321 40 0 BEABRO C[NH+](C)[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000070453068 388729509 /nfs/dbraw/zinc/72/95/09/388729509.db2.gz NXQGKXXONBHCTQ-JTQLQIEISA-N 1 0 233.233 2.300 40 0 BEABRO CN1C[C@H]([NH3+])[C@@H](c2cccc3ccccc32)C1 ZINC000225606817 388839796 /nfs/dbraw/zinc/83/97/96/388839796.db2.gz ZFXMGGNUDJFQJW-CABCVRRESA-N 1 0 226.323 2.196 40 0 BEABRO c1ccc(CCN2CC[NH2+][C@H]3CCCC[C@@H]32)cc1 ZINC000225711866 388840276 /nfs/dbraw/zinc/84/02/76/388840276.db2.gz WBKROPMTWHKBDJ-HOTGVXAUSA-N 1 0 244.382 2.446 40 0 BEABRO C[C@@H]1CN(c2ccc(N)cc2Cl)C[C@@H](C)[NH2+]1 ZINC000008701193 132319036 /nfs/dbraw/zinc/31/90/36/132319036.db2.gz XMCZSVZCOOYCDS-RKDXNWHRSA-N 1 0 239.750 2.109 40 0 BEABRO CS[C@H](C)C[NH2+]C[C@@H]1CCSC1 ZINC000224466849 134347479 /nfs/dbraw/zinc/34/74/79/134347479.db2.gz JQDJSODWXKHBOI-BDAKNGLRSA-N 1 0 205.392 2.081 40 0 BEABRO CC(C)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000072361110 166968009 /nfs/dbraw/zinc/96/80/09/166968009.db2.gz GOWHZYKUHLVMOH-UHFFFAOYSA-N 1 0 207.321 2.245 40 0 BEABRO [NH3+]C[C@H](c1cc(F)ccc1F)N1CCCC1 ZINC000037233433 397990711 /nfs/dbraw/zinc/99/07/11/397990711.db2.gz CLYKXGWKSBKPPK-GFCCVEGCSA-N 1 0 226.270 2.060 40 0 BEABRO [NH3+]C[C@@H](c1cc(F)ccc1F)N1CCCC1 ZINC000037233435 397990979 /nfs/dbraw/zinc/99/09/79/397990979.db2.gz CLYKXGWKSBKPPK-LBPRGKRZSA-N 1 0 226.270 2.060 40 0 BEABRO CC(C)CC[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000062717825 398057220 /nfs/dbraw/zinc/05/72/20/398057220.db2.gz NQTPCNKCCVFWSM-UHFFFAOYSA-N 1 0 248.374 2.213 40 0 BEABRO CC(C)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000072203598 167113419 /nfs/dbraw/zinc/11/34/19/167113419.db2.gz FGWZXFPNZRIDFK-NSHDSACASA-N 1 0 242.363 2.241 40 0 BEABRO CC(C)C[NH2+]Cc1cc(C(C)C)nn1C ZINC000256053858 167008290 /nfs/dbraw/zinc/00/82/90/167008290.db2.gz TXVHGHIANZWSRK-UHFFFAOYSA-N 1 0 209.337 2.289 40 0 BEABRO CC(C)[N@@H+]1CC[C@H](c2nc3cccnc3[nH]2)C1 ZINC000049168814 167026916 /nfs/dbraw/zinc/02/69/16/167026916.db2.gz RNKMHLLZGBBRIU-JTQLQIEISA-N 1 0 230.315 2.156 40 0 biogenic,in-vitro BEABRO CC(C)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000072203599 167115559 /nfs/dbraw/zinc/11/55/59/167115559.db2.gz FGWZXFPNZRIDFK-LLVKDONJSA-N 1 0 242.363 2.241 40 0 BEABRO CC(C)OC(=O)[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC000017578465 167167101 /nfs/dbraw/zinc/16/71/01/167167101.db2.gz RWQUVOWLQIPGFC-OLZOCXBDSA-N 1 0 233.311 2.289 40 0 BEABRO CC(C)OC[C@H]1[NH2+]CCc2sccc21 ZINC000096526588 167272573 /nfs/dbraw/zinc/27/25/73/167272573.db2.gz HNOFBYREPLZIIG-SNVBAGLBSA-N 1 0 211.330 2.360 40 0 BEABRO Cc1cc(F)ccc1N1CC[NH2+][C@@H]2CCC[C@H]21 ZINC000218847158 411177866 /nfs/dbraw/zinc/17/78/66/411177866.db2.gz PDPKXEVVDGTIIZ-TZMCWYRMSA-N 1 0 234.318 2.465 40 0 BEABRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]C[C@@H](C)[S@](C)=O ZINC000097098998 168101388 /nfs/dbraw/zinc/10/13/88/168101388.db2.gz DTHDAAIEJBGXJU-NFFDBFGFSA-N 1 0 243.416 2.335 40 0 BEABRO CCC(=O)C[C@H]1CCC[C@H](CC(=O)CC)[NH2+]1 ZINC000001713141 168209888 /nfs/dbraw/zinc/20/98/88/168209888.db2.gz ICQDSEWZOQKQSL-GHMZBOCLSA-N 1 0 225.332 2.236 40 0 BEABRO CC[N@@H+]1CCN[C@@H](c2ccccc2)C1(C)C ZINC000019365045 170000605 /nfs/dbraw/zinc/00/06/05/170000605.db2.gz DLWQVUKPXRXNAM-ZDUSSCGKSA-N 1 0 218.344 2.431 40 0 BEABRO CCNC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000217526708 170092254 /nfs/dbraw/zinc/09/22/54/170092254.db2.gz BHTAVLZTAFSIHV-KBPBESRZSA-N 1 0 246.354 2.048 40 0 BEABRO CC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072194411 170110758 /nfs/dbraw/zinc/11/07/58/170110758.db2.gz GGCSYCMKWQRFMZ-UHFFFAOYSA-N 1 0 242.363 2.243 40 0 BEABRO CC[NH2+]CC[C@@H](CCO)c1ccccc1 ZINC000217799307 170116397 /nfs/dbraw/zinc/11/63/97/170116397.db2.gz MZDAUXSVJZKTDF-ZDUSSCGKSA-N 1 0 207.317 2.152 40 0 BEABRO CC[NH2+]C[C@H]1CC[C@H](CC(=O)OCC)CC1 ZINC000100184472 170119675 /nfs/dbraw/zinc/11/96/75/170119675.db2.gz LXJAWXNHIKYGQN-TXEJJXNPSA-N 1 0 227.348 2.356 40 0 BEABRO CC[NH2+]Cc1cc(C2CC2)nn1C(C)C ZINC000256051807 170125213 /nfs/dbraw/zinc/12/52/13/170125213.db2.gz KOCCVXISABOQFM-UHFFFAOYSA-N 1 0 207.321 2.451 40 0 BEABRO CC[NH2+][C@@H](C)C(=O)c1ccc(C)cc1C ZINC000041609505 170138475 /nfs/dbraw/zinc/13/84/75/170138475.db2.gz SJPGBKUKQFPPPH-NSHDSACASA-N 1 0 205.301 2.484 40 0 in-vitro BEABRO CCOC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000070263737 170239589 /nfs/dbraw/zinc/23/95/89/170239589.db2.gz JDMNOIGSKBKYMX-UHFFFAOYSA-N 1 0 240.347 2.093 40 0 BEABRO CCOC(C)(OCC)[C@@H]([NH3+])c1ccccc1 ZINC000001600605 170314997 /nfs/dbraw/zinc/31/49/97/170314997.db2.gz ZFKGUCWEEBUBET-LBPRGKRZSA-N 1 0 223.316 2.476 40 0 BEABRO CCOCCC[NH2+]Cc1cn(C(C)C)nc1C ZINC000256052847 170381872 /nfs/dbraw/zinc/38/18/72/170381872.db2.gz OXADJLQDLPYTLE-UHFFFAOYSA-N 1 0 239.363 2.289 40 0 BEABRO CCOc1ccccc1[C@@H]1C[C@@H]1C[NH2+]C ZINC000054588678 170598178 /nfs/dbraw/zinc/59/81/78/170598178.db2.gz RIUBOBWEODBZEH-ZYHUDNBSSA-N 1 0 205.301 2.408 40 0 BEABRO CC[C@H](C(=O)N1CC[NH2+]C[C@@H]1C)c1ccccc1 ZINC000054369889 171224987 /nfs/dbraw/zinc/22/49/87/171224987.db2.gz OSAXFPZZSDMGBO-JSGCOSHPSA-N 1 0 246.354 2.001 40 0 BEABRO CC[C@H](C)[NH2+]C1CCC2(CC1)OCCO2 ZINC000019882731 171339014 /nfs/dbraw/zinc/33/90/14/171339014.db2.gz RESQQBQZEPPVGW-JTQLQIEISA-N 1 0 213.321 2.060 40 0 BEABRO CC[C@H]1Cc2ccc(OCC[NH+](C)C)cc2C1=O ZINC000001668203 171680332 /nfs/dbraw/zinc/68/03/32/171680332.db2.gz BPUDGFCZEXQFIV-NSHDSACASA-N 1 0 247.338 2.392 40 0 BEABRO CCc1ccc(NC[C@H]2C[C@H]2C[NH3+])cc1 ZINC000096509424 171820711 /nfs/dbraw/zinc/82/07/11/171820711.db2.gz LWWYZGKFDTUAQN-NWDGAFQWSA-N 1 0 204.317 2.256 40 0 BEABRO CCn1c2cc(Cl)ccc2nc1CC[NH3+] ZINC000040417263 172144283 /nfs/dbraw/zinc/14/42/83/172144283.db2.gz OVIWMYLIUBVUED-UHFFFAOYSA-N 1 0 223.707 2.211 40 0 BEABRO CCn1cc(C[NH2+]Cc2ccc(F)s2)cn1 ZINC000256052606 172172933 /nfs/dbraw/zinc/17/29/33/172172933.db2.gz NZMWCIDQXAFVES-UHFFFAOYSA-N 1 0 239.319 2.393 40 0 BEABRO CCn1cccc1-c1noc([C@H]2CCC[NH2+]C2)n1 ZINC000096531614 172202619 /nfs/dbraw/zinc/20/26/19/172202619.db2.gz DNFPDPZFCCIGLO-JTQLQIEISA-N 1 0 246.314 2.025 40 0 BEABRO CN(C(=O)OCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000054965483 172325682 /nfs/dbraw/zinc/32/56/82/172325682.db2.gz KZAPWAGMBADXOQ-CYBMUJFWSA-N 1 0 248.326 2.007 40 0 BEABRO C[NH+](C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000039325939 172492957 /nfs/dbraw/zinc/49/29/57/172492957.db2.gz JGMMNOYMEULLTJ-LLVKDONJSA-N 1 0 242.363 2.195 40 0 BEABRO C[NH+]1CCC2(CNc3ccc(F)cc32)CC1 ZINC000084781194 173001648 /nfs/dbraw/zinc/00/16/48/173001648.db2.gz OQZNNVIICURFHE-UHFFFAOYSA-N 1 0 220.291 2.215 40 0 BEABRO C[NH+]1CCC2(CNc3c2cccc3F)CC1 ZINC000084781202 173001769 /nfs/dbraw/zinc/00/17/69/173001769.db2.gz XYVIQHXSHWALIX-UHFFFAOYSA-N 1 0 220.291 2.215 40 0 BEABRO CN1CC2(CC[NH+](C)CC2)c2cccc(F)c21 ZINC000096261775 173002151 /nfs/dbraw/zinc/00/21/51/173002151.db2.gz SVLYNGBXNXWHHH-UHFFFAOYSA-N 1 0 234.318 2.239 40 0 BEABRO C[N@@H+]1CCCN(C(=S)Nc2ccccc2)CC1 ZINC000000097838 173013400 /nfs/dbraw/zinc/01/34/00/173013400.db2.gz PGVMVHWHRGEMRC-UHFFFAOYSA-N 1 0 249.383 2.021 40 0 BEABRO CN1CCC[NH+]=C1/C=C/c1cccc(O)c1 ZINC000100025503 173018720 /nfs/dbraw/zinc/01/87/20/173018720.db2.gz VRYKTHBAWRESFI-VOTSOKGWSA-N 1 0 216.284 2.139 40 0 BEABRO C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2F)C1 ZINC000082324146 173037972 /nfs/dbraw/zinc/03/79/72/173037972.db2.gz AQSPRKBXNJCRDX-JTQLQIEISA-N 1 0 236.290 2.106 40 0 BEABRO C[N@@H+]1CCC[C@H]1c1cccc(N2CCCC2)n1 ZINC000072386404 173058468 /nfs/dbraw/zinc/05/84/68/173058468.db2.gz ITBAWELFJHINFA-ZDUSSCGKSA-N 1 0 231.343 2.449 40 0 BEABRO C[N@@H+]1CC[C@]2(CCN(Cc3cccs3)C2)C1 ZINC000096268652 173167457 /nfs/dbraw/zinc/16/74/57/173167457.db2.gz FXAUFSFRSZAMEP-ZDUSSCGKSA-N 1 0 236.384 2.276 40 0 BEABRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](OC(=O)c1ccco1)C2 ZINC000100745143 173204750 /nfs/dbraw/zinc/20/47/50/173204750.db2.gz GGHICGWVZFRCPF-ZSBIGDGJSA-N 1 0 249.310 2.452 40 0 BEABRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](OC(=O)c1ccccc1)C2 ZINC000100392399 173207456 /nfs/dbraw/zinc/20/74/56/173207456.db2.gz XQJMXPAEFMWDOZ-BTTYYORXSA-N 1 0 245.322 2.469 40 0 biogenic,in-vitro BEABRO C[NH2+]C[C@H]1C[C@H]1c1ccc(N(C)C)cc1 ZINC000054588469 173382469 /nfs/dbraw/zinc/38/24/69/173382469.db2.gz GBFQCYNTWBMCGP-YPMHNXCESA-N 1 0 204.317 2.076 40 0 BEABRO C[NH2+]Cc1cccn1-c1ccc(F)cc1 ZINC000223683482 173390452 /nfs/dbraw/zinc/39/04/52/173390452.db2.gz PPPAVSAHRGIUHY-UHFFFAOYSA-N 1 0 204.248 2.336 40 0 BEABRO COC(=O)c1ccc[n+](CCc2ccccc2)c1 ZINC000001634206 173891027 /nfs/dbraw/zinc/89/10/27/173891027.db2.gz PMDQJNXNLOZQOE-UHFFFAOYSA-N 1 0 242.298 2.003 40 0 BEABRO COCCC[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000020142434 174249317 /nfs/dbraw/zinc/24/93/17/174249317.db2.gz UUPAPDXVQJLLFQ-NSHDSACASA-N 1 0 223.316 2.382 40 0 BEABRO COc1cc(F)cc([C@@H]2CCC[NH2+]C2)c1 ZINC000038539410 174994174 /nfs/dbraw/zinc/99/41/74/174994174.db2.gz QOYAAJZWWOLDJD-SECBINFHSA-N 1 0 209.264 2.301 40 0 BEABRO COc1ccc(C)c2c(NCCC[NH3+])ccnc12 ZINC000222682612 175070900 /nfs/dbraw/zinc/07/09/00/175070900.db2.gz XSUZSKDXOGCQAO-UHFFFAOYSA-N 1 0 245.326 2.313 40 0 BEABRO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH3+])cc1OC ZINC000020392393 175198106 /nfs/dbraw/zinc/19/81/06/175198106.db2.gz HYRHCZXUDHOWNL-FBIMIBRVSA-N 1 0 221.300 2.155 40 0 BEABRO COc1ccc([C@H]2C[C@H]2[C@H](C)[NH3+])c(OC)c1 ZINC000036056704 175198273 /nfs/dbraw/zinc/19/82/73/175198273.db2.gz RRLUYITYNNJRHP-KPXOXKRLSA-N 1 0 221.300 2.155 40 0 BEABRO COc1cccc(-c2nnc([C@H]3CCC[NH2+]3)o2)c1 ZINC000032102021 175237223 /nfs/dbraw/zinc/23/72/23/175237223.db2.gz XDWNODSJRMKTAN-LLVKDONJSA-N 1 0 245.282 2.170 40 0 BEABRO COc1cccc(C[NH+]2CCCC2)c1OC ZINC000006248766 175256942 /nfs/dbraw/zinc/25/69/42/175256942.db2.gz GJTXGUHDXBKTNT-UHFFFAOYSA-N 1 0 221.300 2.300 40 0 BEABRO COc1cccc(C[N@@H+]2CC[C@]3(CCCO3)C2)c1 ZINC000096051026 175259842 /nfs/dbraw/zinc/25/98/42/175259842.db2.gz URFXVJJRVFWPJS-OAHLLOKOSA-N 1 0 247.338 2.450 40 0 BEABRO COc1cccc(C[NH2+]Cc2cnn(C)c2C)c1 ZINC000002536060 175265323 /nfs/dbraw/zinc/26/53/23/175265323.db2.gz DOIGLEDGSZZSKN-UHFFFAOYSA-N 1 0 245.326 2.027 40 0 BEABRO COc1cccc(N[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000218858381 175279907 /nfs/dbraw/zinc/27/99/07/175279907.db2.gz INOKVFDNRAAAPG-OLZOCXBDSA-N 1 0 220.316 2.377 40 0 BEABRO COc1cccc(OC)c1[C@H]1CCC[NH2+]C1 ZINC000038539282 175282359 /nfs/dbraw/zinc/28/23/59/175282359.db2.gz CROPIMHTLXALPY-JTQLQIEISA-N 1 0 221.300 2.171 40 0 BEABRO COc1cccc(O[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000019398072 175284258 /nfs/dbraw/zinc/28/42/58/175284258.db2.gz OOQZNVDFFQHGTL-QWHCGFSZSA-N 1 0 221.300 2.344 40 0 BEABRO COc1cccc([C@@H](C)O[C@@H]2CC[NH2+]C2)c1 ZINC000096529884 175287577 /nfs/dbraw/zinc/28/75/77/175287577.db2.gz GUMLMPMDKMAAMN-ZWNOBZJWSA-N 1 0 221.300 2.135 40 0 BEABRO COc1ccccc1-c1nnc([C@@H]2CCC[NH2+]2)o1 ZINC000032102015 175312092 /nfs/dbraw/zinc/31/20/92/175312092.db2.gz APOUTMYOUATGKW-JTQLQIEISA-N 1 0 245.282 2.170 40 0 BEABRO C[C@@H]([NH2+]CCO)c1ccc2ccccc2c1 ZINC000001666256 175880904 /nfs/dbraw/zinc/88/09/04/175880904.db2.gz NOQIKKRTEGNJJH-LLVKDONJSA-N 1 0 215.296 2.483 40 0 BEABRO C[C@@H]([C@@H](O)c1ccccc1)[n+]1ccccc1 ZINC000001712269 176011773 /nfs/dbraw/zinc/01/17/73/176011773.db2.gz YFPQJXQDJMCHQA-GXTWGEPZSA-N 1 0 214.288 2.269 40 0 BEABRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCc1ccccc1 ZINC000072324608 176322727 /nfs/dbraw/zinc/32/27/27/176322727.db2.gz OWXRKLBEDFCSBI-GDBMZVCRSA-N 1 0 244.382 2.398 40 0 BEABRO C[C@@H]1C[NH2+]CCN1Cc1cccc(Cl)c1 ZINC000054373127 176328244 /nfs/dbraw/zinc/32/82/44/176328244.db2.gz LNTSUUZINYEMMR-SNVBAGLBSA-N 1 0 224.735 2.134 40 0 BEABRO C[C@H](C[NH3+])c1ccccc1OC(F)F ZINC000037245658 176662833 /nfs/dbraw/zinc/66/28/33/176662833.db2.gz VMHWBKCGBFBOQU-SSDOTTSWSA-N 1 0 201.216 2.350 40 0 BEABRO C[C@H]1CC(C)(C)[NH2+][C@@H]([C@@H]2CCC=CO2)O1 ZINC000004803878 177064131 /nfs/dbraw/zinc/06/41/31/177064131.db2.gz WEKSFFIEUWLTHJ-GARJFASQSA-N 1 0 211.305 2.182 40 0 BEABRO C[C@H]1CCCN(C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000019321099 177100277 /nfs/dbraw/zinc/10/02/77/177100277.db2.gz KLFHRQOZJWCFOI-STQMWFEESA-N 1 0 210.365 2.408 40 0 BEABRO C[C@H]1CCC[N@@H+]1C[C@H](CO)c1ccccc1 ZINC000309336826 177108561 /nfs/dbraw/zinc/10/85/61/177108561.db2.gz AYVQIOHOTIJXIA-GXTWGEPZSA-N 1 0 219.328 2.247 40 0 BEABRO C[C@@H]1C[C@H](OC(=O)c2ccco2)[C@@H](C)C[N@@H+]1C ZINC000101176578 177239322 /nfs/dbraw/zinc/23/93/22/177239322.db2.gz MLVZDGWIMKLZEE-UMNHJUIQSA-N 1 0 237.299 2.165 40 0 BEABRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(F)c1 ZINC000019575778 177280990 /nfs/dbraw/zinc/28/09/90/177280990.db2.gz GETWVEJSRHTUMV-WFASDCNBSA-N 1 0 248.345 2.494 40 0 BEABRO C[C@H]1C[NH2+]CCN1Cc1c(F)cccc1Cl ZINC000054373013 177283580 /nfs/dbraw/zinc/28/35/80/177283580.db2.gz FJPPQWSCJPFFFT-VIFPVBQESA-N 1 0 242.725 2.273 40 0 BEABRO C[C@@H]1C[NH2+][C@@H](C)C[C@H]1OC(=O)c1ccccc1 ZINC000005723467 177338258 /nfs/dbraw/zinc/33/82/58/177338258.db2.gz FKYVJLAHWSGDPJ-NTZNESFSSA-N 1 0 233.311 2.230 40 0 BEABRO Cc1c(C[NH2+]CCc2ccccc2)cnn1C ZINC000002536445 177590751 /nfs/dbraw/zinc/59/07/51/177590751.db2.gz OEOPTHVDPWCEAJ-UHFFFAOYSA-N 1 0 229.327 2.061 40 0 BEABRO O[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)nc2)CC1 ZINC000242750762 526313111 /nfs/dbraw/zinc/31/31/11/526313111.db2.gz ZZOVELABKXLUOC-XYPYZODXSA-N 1 0 240.734 2.128 40 0 BEABRO Cc1ccc([C@H](C[NH3+])N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000022166916 487970385 /nfs/dbraw/zinc/97/03/85/487970385.db2.gz JIDRSRYRCNYOIG-GUTXKFCHSA-N 1 0 248.370 2.104 40 0 BEABRO CC(C)[C@@H]([NH3+])c1cncc(Br)c1 ZINC000084191767 490303875 /nfs/dbraw/zinc/30/38/75/490303875.db2.gz MACHDQGVTVCRIA-SECBINFHSA-N 1 0 229.121 2.500 40 0 BEABRO CC(C)Cn1cc([C@H]2CCCC[NH2+]2)cn1 ZINC000225775452 519515096 /nfs/dbraw/zinc/51/50/96/519515096.db2.gz KYEMTMCELROSOM-GFCCVEGCSA-N 1 0 207.321 2.354 40 0 BEABRO CCn1ccc(C[NH2+]CCc2ccccc2)n1 ZINC000002536465 523494755 /nfs/dbraw/zinc/49/47/55/523494755.db2.gz USLRAZKYCFNNLD-UHFFFAOYSA-N 1 0 229.327 2.235 40 0 BEABRO C[C@@H]1CO[C@@H]2C[C@H](C(F)(F)F)C[C@H](C[NH3+])[C@H]21 ZINC000242687532 525157776 /nfs/dbraw/zinc/15/77/76/525157776.db2.gz ULMGXBABGMHAEG-VVULQXIFSA-N 1 0 237.265 2.185 40 0 BEABRO C[C@@H]1[NH2+]Cc2cc(Br)cnc21 ZINC000228965698 525553172 /nfs/dbraw/zinc/55/31/72/525553172.db2.gz YNDLMIJKIYOBET-YFKPBYRVSA-N 1 0 213.078 2.008 40 0 BEABRO Fc1cccc(-c2nnc([C@H]3CCC[NH2+]3)o2)c1 ZINC000039956189 526380972 /nfs/dbraw/zinc/38/09/72/526380972.db2.gz QUSCFOOCOBSXCL-SNVBAGLBSA-N 1 0 233.246 2.300 40 0 BEABRO NC(=[NH2+])Cc1cc(C(F)(F)F)ccc1F ZINC000084931411 526817789 /nfs/dbraw/zinc/81/77/89/526817789.db2.gz PHGQYSCQOOOHFW-UHFFFAOYSA-N 1 0 220.169 2.323 40 0 BEABRO Cc1nc(N2CC[NH2+]CC2)c2ccccc2c1C ZINC000225747948 526969575 /nfs/dbraw/zinc/96/95/75/526969575.db2.gz ALUAQVQXKDRLRA-UHFFFAOYSA-N 1 0 241.338 2.261 40 0 BEABRO [NH3+]CCc1ccc(OCCC2CC2)cc1 ZINC000083926024 527196626 /nfs/dbraw/zinc/19/66/26/527196626.db2.gz OEWGRQBTASECLZ-UHFFFAOYSA-N 1 0 205.301 2.367 40 0 BEABRO N[C@H](c1ccccc1)C([NH3+])c1ccccc1 ZINC001560408636 991469755 /nfs/dbraw/zinc/46/97/55/991469755.db2.gz DQARJSNIHJRGIK-CYBMUJFWSA-N 1 0 211.288 2.225 40 0 BEABRO CCC(CC)([NH2+]C)[C@H](O)c1ccccc1 ZINC000001634222 168331278 /nfs/dbraw/zinc/33/12/78/168331278.db2.gz WHBFWLGMOIRXBA-GFCCVEGCSA-N 1 0 207.317 2.498 40 0 BEABRO CC(C)C[NH+]1CCC(Cc2ccnn2C)CC1 ZINC000072383187 343980109 /nfs/dbraw/zinc/98/01/09/343980109.db2.gz VLCWTWQIMWQYHJ-UHFFFAOYSA-N 1 0 235.375 2.331 40 0 BEABRO CC(C)(C)OC(=O)N[C@H]1CCC12CC[NH2+]CC2 ZINC000071373383 398147906 /nfs/dbraw/zinc/14/79/06/398147906.db2.gz MWGPVHPVWMHJMP-JTQLQIEISA-N 1 0 240.347 2.043 40 0 BEABRO CC(C)C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000072361109 343979943 /nfs/dbraw/zinc/97/99/43/343979943.db2.gz SXCPPZPZCNCMJW-GFCCVEGCSA-N 1 0 219.332 2.312 40 0 BEABRO CC[N@@H+]1CCC[C@@H](c2nc(C)cc(NC)n2)C1 ZINC000072361103 343980021 /nfs/dbraw/zinc/98/00/21/343980021.db2.gz MGQWTALZDBSPBV-LLVKDONJSA-N 1 0 234.347 2.026 40 0 BEABRO CC(C)(C)OC(=O)N1CCCC[C@@](C)(C[NH3+])C1 ZINC000261507614 398208991 /nfs/dbraw/zinc/20/89/91/398208991.db2.gz KFWLROPMPGMJNO-ZDUSSCGKSA-N 1 0 242.363 2.372 40 0 BEABRO Cc1cc([C@H](O)C[NH2+]C(C)(C)C)ccc1O ZINC000083308755 178263780 /nfs/dbraw/zinc/26/37/80/178263780.db2.gz GELQRPHSNNCPNQ-GFCCVEGCSA-N 1 0 223.316 2.122 40 0 BEABRO Cc1c(F)cccc1N[C@H]1CCC[C@@H]1[NH3+] ZINC000218882196 398248483 /nfs/dbraw/zinc/24/84/83/398248483.db2.gz QKAYBOXPNVFHOI-JQWIXIFHSA-N 1 0 208.280 2.426 40 0 BEABRO Cc1ccc(-c2nc(C[NH3+])co2)cc1C ZINC000057491120 178334117 /nfs/dbraw/zinc/33/41/17/178334117.db2.gz MZJBCUVRNVLMDA-UHFFFAOYSA-N 1 0 202.257 2.417 40 0 BEABRO Cc1ccc(-c2n[nH]c(C3CC[NH2+]CC3)n2)cc1 ZINC000064875526 178334995 /nfs/dbraw/zinc/33/49/95/178334995.db2.gz WFNZPJTZMZQLRS-UHFFFAOYSA-N 1 0 242.326 2.247 40 0 BEABRO Cc1ccc(-c2nnc([C@@H]3CCC[NH2+]3)o2)cc1 ZINC000032015758 178340406 /nfs/dbraw/zinc/34/04/06/178340406.db2.gz GLCXWHDXVJLBSR-NSHDSACASA-N 1 0 229.283 2.470 40 0 BEABRO [NH3+]C[C@@H]1CCCCN1CCc1ccsc1 ZINC000069764953 259313185 /nfs/dbraw/zinc/31/31/85/259313185.db2.gz QTAZYVFVJVAXCV-LBPRGKRZSA-N 1 0 224.373 2.104 40 0 BEABRO CCOC(=O)C[C@H](C(C)C)[NH+]1CCCCC1 ZINC000070824309 259314273 /nfs/dbraw/zinc/31/42/73/259314273.db2.gz OGBNOQILFZFLAS-GFCCVEGCSA-N 1 0 227.348 2.450 40 0 BEABRO CCC(CC)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000019361970 168375429 /nfs/dbraw/zinc/37/54/29/168375429.db2.gz LVDXKNPIUHJCGF-UHFFFAOYSA-N 1 0 247.386 2.388 40 0 BEABRO NNc1cccc(Oc2ccccc2)[nH+]1 ZINC000039957373 349591286 /nfs/dbraw/zinc/59/12/86/349591286.db2.gz JLMXCMXCEFCULT-UHFFFAOYSA-N 1 0 201.229 2.160 40 0 BEABRO C[NH2+][C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000072207620 259315121 /nfs/dbraw/zinc/31/51/21/259315121.db2.gz MHIYDVMZQYMYAT-ZJUUUORDSA-N 1 0 230.352 2.144 40 0 BEABRO CCOC(=O)C[C@H]([NH2+]C)c1ccc(C)cc1 ZINC000072210276 259316634 /nfs/dbraw/zinc/31/66/34/259316634.db2.gz GXTNBUZNTJFFKS-LBPRGKRZSA-N 1 0 221.300 2.209 40 0 BEABRO COc1cc(C)c(C[NH+](C)C)c(OC)c1 ZINC000001586608 342704635 /nfs/dbraw/zinc/70/46/35/342704635.db2.gz DVUDUXDSNSSIIU-UHFFFAOYSA-N 1 0 209.289 2.074 40 0 BEABRO CC[NH+](CC)CCOC(=O)Cc1ccccc1 ZINC000001649117 342707165 /nfs/dbraw/zinc/70/71/65/342707165.db2.gz RWVYTYAOLUZVRV-UHFFFAOYSA-N 1 0 235.327 2.114 40 0 BEABRO CCCC(=O)[C@@H](CC[NH+](C)C)c1ccccn1 ZINC000001675591 342708345 /nfs/dbraw/zinc/70/83/45/342708345.db2.gz SOSGINVUTGVQHI-LBPRGKRZSA-N 1 0 234.343 2.486 40 0 BEABRO CCCCC[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000001731651 342711683 /nfs/dbraw/zinc/71/16/83/342711683.db2.gz JCVNEDPQGZFHAT-LBPRGKRZSA-N 1 0 242.363 2.339 40 0 BEABRO CSc1ncc(C)c[n+]1-c1ccccc1 ZINC000001869846 342713204 /nfs/dbraw/zinc/71/32/04/342713204.db2.gz RQRQFGNMNPMCDF-UHFFFAOYSA-N 1 0 217.317 2.389 40 0 BEABRO Cc1cc([C@@H]2CCCC[N@H+]2C)cnc1N ZINC000072218454 259318501 /nfs/dbraw/zinc/31/85/01/259318501.db2.gz YFECOKMUPBSPOH-NSHDSACASA-N 1 0 205.305 2.129 40 0 BEABRO Cc1[nH]c(=O)ccc1[C@H]1CCCC[N@H+]1C ZINC000072218215 259318007 /nfs/dbraw/zinc/31/80/07/259318007.db2.gz OCWOREFOOKJVKG-LLVKDONJSA-N 1 0 206.289 2.252 40 0 BEABRO Cc1[nH]c(=S)ccc1[C@@H]1CCCC[NH2+]1 ZINC000072218392 259318323 /nfs/dbraw/zinc/31/83/23/259318323.db2.gz IFRIRUFZJQLFDR-JTQLQIEISA-N 1 0 208.330 2.493 40 0 BEABRO CC[C@H]1c2cc(OC)c(O)cc2CC[N@H+]1C ZINC000003847423 342738173 /nfs/dbraw/zinc/73/81/73/342738173.db2.gz CZISOUSQPMDBJE-NSHDSACASA-N 1 0 221.300 2.340 40 0 BEABRO COC(C[NH2+][C@H](C)c1c[nH]c2ccccc21)OC ZINC000003847519 342738219 /nfs/dbraw/zinc/73/82/19/342738219.db2.gz YCVXYHZKRMVTII-SNVBAGLBSA-N 1 0 248.326 2.437 40 0 BEABRO COc1ccc([C@H](C[NH3+])c2ccc(N)cc2)cc1 ZINC000005550186 342765853 /nfs/dbraw/zinc/76/58/53/342765853.db2.gz MKBLPQLPMPUOKE-OAHLLOKOSA-N 1 0 242.322 2.368 40 0 BEABRO C/C(=C/c1ccccc1)C(=O)NCCC[NH+](C)C ZINC000006301250 342776127 /nfs/dbraw/zinc/77/61/27/342776127.db2.gz DNOYTOYVNCRHHO-SEYXRHQNSA-N 1 0 246.354 2.158 40 0 BEABRO [NH3+][C@H](Cc1ccc(O)cc1)c1ccc(O)cc1 ZINC000006535772 342779070 /nfs/dbraw/zinc/77/90/70/342779070.db2.gz HXRLHIFKRUZOOC-CQSZACIVSA-N 1 0 229.279 2.340 40 0 BEABRO CO[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042956378 342785750 /nfs/dbraw/zinc/78/57/50/342785750.db2.gz LBVJDSQRRDQZAY-VIFPVBQESA-N 1 0 230.105 2.095 40 0 BEABRO CN(C)[C@H](C[NH3+])c1ccc(Cl)c(F)c1 ZINC000043390184 342793671 /nfs/dbraw/zinc/79/36/71/342793671.db2.gz BLNVVRGLGBAEKX-SNVBAGLBSA-N 1 0 216.687 2.041 40 0 BEABRO Cc1cc([C@H]([NH3+])c2ccccc2)c[nH]c1=O ZINC000072222723 259320919 /nfs/dbraw/zinc/32/09/19/259320919.db2.gz YZDDVINNUUKRHQ-GFCCVEGCSA-N 1 0 214.268 2.144 40 0 BEABRO CCN(CC)c1cc(C)c([C@H](C)[NH3+])cn1 ZINC000072223267 259320788 /nfs/dbraw/zinc/32/07/88/259320788.db2.gz PGJHOBRSMYKLKB-JTQLQIEISA-N 1 0 207.321 2.256 40 0 BEABRO COc1ccc([C@H]([NH3+])c2ccccc2)cn1 ZINC000072225052 259321667 /nfs/dbraw/zinc/32/16/67/259321667.db2.gz YIABPMUKUGXYDM-CYBMUJFWSA-N 1 0 214.268 2.138 40 0 BEABRO CN[C@]1(c2ccccc2OC)CCCCC1=O ZINC000097758822 342838147 /nfs/dbraw/zinc/83/81/47/342838147.db2.gz OYAUVHORXFUVAJ-AWEZNQCLSA-N 1 0 233.311 2.253 40 0 in-vitro BEABRO CC(C)(C[NH3+])N1CCCC[C@H]1c1cccnc1 ZINC000242495593 398317546 /nfs/dbraw/zinc/31/75/46/398317546.db2.gz GKKSBTARADZFRW-ZDUSSCGKSA-N 1 0 233.359 2.346 40 0 BEABRO CC[NH+](CC)CCOc1cccc(C=O)c1 ZINC000009261363 342888674 /nfs/dbraw/zinc/88/86/74/342888674.db2.gz ZTYOHCWQWNLXTD-UHFFFAOYSA-N 1 0 221.300 2.220 40 0 BEABRO [NH3+][C@H]1C[C@H]2C[C@@H]1C1(C2)SCCCS1 ZINC000217613474 398322023 /nfs/dbraw/zinc/32/20/23/398322023.db2.gz YSKFCZIPASFMFO-VGMNWLOBSA-N 1 0 215.387 2.310 40 0 BEABRO COc1ccc(CN[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000218855178 398328863 /nfs/dbraw/zinc/32/88/63/398328863.db2.gz KQAPSBRQIROFNT-UONOGXRCSA-N 1 0 234.343 2.055 40 0 BEABRO COc1ccc([C@@H]([NH3+])c2ccccc2)cn1 ZINC000072225053 259332535 /nfs/dbraw/zinc/33/25/35/259332535.db2.gz YIABPMUKUGXYDM-ZDUSSCGKSA-N 1 0 214.268 2.138 40 0 BEABRO C[NH+]1CCC(O)(c2ccc(Cl)s2)CC1 ZINC000034506246 343273360 /nfs/dbraw/zinc/27/33/60/343273360.db2.gz FLHHORVUWJQDQV-UHFFFAOYSA-N 1 0 231.748 2.315 40 0 BEABRO [NH3+][C@@H]1CCOc2c(F)cc(Br)cc21 ZINC000034975020 343282410 /nfs/dbraw/zinc/28/24/10/343282410.db2.gz LRPQGUQEFLAKSY-MRVPVSSYSA-N 1 0 246.079 2.371 40 0 BEABRO Cc1ccc(CN(CC[NH3+])C(C)C)cc1 ZINC000032011647 343291137 /nfs/dbraw/zinc/29/11/37/343291137.db2.gz GKDJTEZCXJQMRK-UHFFFAOYSA-N 1 0 206.333 2.164 40 0 BEABRO C[C@H](C[NH3+])c1ccc(OC(F)F)cc1 ZINC000037246290 343340787 /nfs/dbraw/zinc/34/07/87/343340787.db2.gz YGOUGGYHHXFORW-SSDOTTSWSA-N 1 0 201.216 2.350 40 0 BEABRO C1=C2CCC[NH2+][C@@H]2[C@@H]2C[C@H]1[C@@H]1CCCCN1C2 ZINC000037242664 343585431 /nfs/dbraw/zinc/58/54/31/343585431.db2.gz SKOLRLSBMUGVOY-XGUBFFRZSA-N 1 0 232.371 2.169 40 0 BEABRO CO[C@@H]1CC[NH2+]C[C@H]1Cc1ccc(C)cc1 ZINC000221690914 346963880 /nfs/dbraw/zinc/96/38/80/346963880.db2.gz RNLHWIWROBMZDV-ZIAGYGMSSA-N 1 0 219.328 2.162 40 0 BEABRO C[NH2+]C[C@@H]1C[C@@H]1c1cc(OC)cc(OC)c1 ZINC000054588817 259373735 /nfs/dbraw/zinc/37/37/35/259373735.db2.gz LQSNQLIZJGAFQO-GXFFZTMASA-N 1 0 221.300 2.027 40 0 BEABRO C[NH2+]C[C@H]1C[C@@H]1c1cc(OC)cc(OC)c1 ZINC000054588819 259373761 /nfs/dbraw/zinc/37/37/61/259373761.db2.gz LQSNQLIZJGAFQO-ZWNOBZJWSA-N 1 0 221.300 2.027 40 0 BEABRO Cc1nc([C@]2(C)CCC[N@@H+](C)C2)cc2cncn21 ZINC000585261105 344372943 /nfs/dbraw/zinc/37/29/43/344372943.db2.gz LLGNLBKMUKLEPT-CQSZACIVSA-N 1 0 244.342 2.021 40 0 BEABRO CO[C@H]1CCC[NH2+][C@H]1Cc1cccc(F)c1 ZINC000585274843 344397087 /nfs/dbraw/zinc/39/70/87/344397087.db2.gz PIMUONLPUZLZOZ-STQMWFEESA-N 1 0 223.291 2.135 40 0 BEABRO Cc1ccc(CSc2nc(N)cc(N)[nH+]2)cc1 ZINC000000422371 345440457 /nfs/dbraw/zinc/44/04/57/345440457.db2.gz HEYUJRCWRXRZBS-UHFFFAOYSA-N 1 0 246.339 2.242 40 0 BEABRO CN1[C@@H]2CCCC[C@@H]2[NH+](C)[C@H]2CCCC[C@H]21 ZINC000585681219 345909506 /nfs/dbraw/zinc/90/95/06/345909506.db2.gz LODHMOLPIMTBHV-KJGYPYNMSA-N 1 0 222.376 2.486 40 0 BEABRO CC(C)(C)OC(=O)NC1(C)CCC([NH3+])CC1 ZINC000167159695 346205580 /nfs/dbraw/zinc/20/55/80/346205580.db2.gz NCOAYDYNUYRLJH-UHFFFAOYSA-N 1 0 228.336 2.171 40 0 BEABRO Cc1cccc(CN2CCCC[C@]23CC[NH2+]C3)n1 ZINC000096071165 179073702 /nfs/dbraw/zinc/07/37/02/179073702.db2.gz AOCNDIUVWFKFLE-OAHLLOKOSA-N 1 0 245.370 2.108 40 0 BEABRO Cc1cccc(C[N@@H+]2CC[C@@H]3O[C@@H](C)C[C@H]3C2)n1 ZINC000096070512 179081912 /nfs/dbraw/zinc/08/19/12/179081912.db2.gz VEZSCPNXSHOZBD-YDHLFZDLSA-N 1 0 246.354 2.389 40 0 BEABRO Cc1cccc(Cl)c1C[N@@H+]1CC[C@H](O)C1 ZINC000038539014 179108309 /nfs/dbraw/zinc/10/83/09/179108309.db2.gz WPNNLXPTMJVNAA-JTQLQIEISA-N 1 0 225.719 2.215 40 0 BEABRO Cc1cc(NC(=O)C[NH+]2CCCCC2)ccc1N ZINC000008703604 346563652 /nfs/dbraw/zinc/56/36/52/346563652.db2.gz QUPQTSVILMZTTJ-UHFFFAOYSA-N 1 0 247.342 2.002 40 0 BEABRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C[NH3+] ZINC000097759028 347285723 /nfs/dbraw/zinc/28/57/23/347285723.db2.gz JMUPBYYAOYIPQE-MNOVXSKESA-N 1 0 242.363 2.228 40 0 BEABRO Cc1cccc2cc(C[NH2+]CC3CC3)c(=O)[nH]c12 ZINC000013998549 179227044 /nfs/dbraw/zinc/22/70/44/179227044.db2.gz ALOYBSLDASQBNA-UHFFFAOYSA-N 1 0 242.322 2.336 40 0 BEABRO Cc1cccc2c1COC21CC[NH2+]CC1 ZINC000096029478 179218619 /nfs/dbraw/zinc/21/86/19/179218619.db2.gz IKCQABWGXCNNCI-UHFFFAOYSA-N 1 0 203.285 2.104 40 0 BEABRO Cc1ccccc1-c1noc([C@H]2CC[NH2+]C2)n1 ZINC000062119579 179240801 /nfs/dbraw/zinc/24/08/01/179240801.db2.gz IOFYPOWALXFISG-JTQLQIEISA-N 1 0 229.283 2.122 40 0 BEABRO Cc1ccccc1N1CC[C@]2(CCC[NH2+]C2)C1=O ZINC000044136566 179296213 /nfs/dbraw/zinc/29/62/13/179296213.db2.gz IEZYTOSMSFZUFY-HNNXBMFYSA-N 1 0 244.338 2.102 40 0 BEABRO Cc1ccccc1NC(=O)C1CC[NH+](C)CC1 ZINC000074713306 179297844 /nfs/dbraw/zinc/29/78/44/179297844.db2.gz IQWYAAUKDGDREJ-UHFFFAOYSA-N 1 0 232.327 2.275 40 0 BEABRO Cc1c[nH]c([C@@H]2CC[N@H+](Cc3cccnc3)C2)n1 ZINC000205688638 348575477 /nfs/dbraw/zinc/57/54/77/348575477.db2.gz FJJJJDCTLXNOIO-CYBMUJFWSA-N 1 0 242.326 2.103 40 0 BEABRO [NH3+][C@H]1CCCN(Cc2ccc(Cl)c(F)c2)C1 ZINC000038539735 348703939 /nfs/dbraw/zinc/70/39/39/348703939.db2.gz XAZKMEHXVPSNGJ-JTQLQIEISA-N 1 0 242.725 2.402 40 0 BEABRO CCOc1ccccc1[C@@H](C[NH3+])N(CC)CC ZINC000038827633 349262578 /nfs/dbraw/zinc/26/25/78/349262578.db2.gz HDEUOENKCSHZMT-CYBMUJFWSA-N 1 0 236.359 2.427 40 0 BEABRO CC[C@](C)(C(=O)OC)[N@@H+]1CCCC[C@@H]1C ZINC000022123463 350084493 /nfs/dbraw/zinc/08/44/93/350084493.db2.gz CTPRENUGVAXXEO-CMPLNLGQSA-N 1 0 213.321 2.203 40 0 BEABRO Cc1nc2ccccc2n1[C@H]1CCC[NH2+]C1 ZINC000035570805 180102520 /nfs/dbraw/zinc/10/25/20/180102520.db2.gz DUKNGBYLXZMJCK-NSHDSACASA-N 1 0 215.300 2.269 40 0 BEABRO Cc1nccc([C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000072348353 180208881 /nfs/dbraw/zinc/20/88/81/180208881.db2.gz DUAHZOXHCXGCGS-LBPRGKRZSA-N 1 0 219.332 2.373 40 0 BEABRO COc1cc(F)cc([C@H]2CCC[NH2+]C2)c1 ZINC000038539412 362964446 /nfs/dbraw/zinc/96/44/46/362964446.db2.gz QOYAAJZWWOLDJD-VIFPVBQESA-N 1 0 209.264 2.301 40 0 BEABRO CC(C)c1ccc([C@@H](CO)[NH+](C)C)cc1 ZINC000041216297 350578412 /nfs/dbraw/zinc/57/84/12/350578412.db2.gz CABFXVCMCGNFKO-CYBMUJFWSA-N 1 0 207.317 2.405 40 0 BEABRO Clc1ccc(Cl)c(OCC2=[NH+]CCN2)c1 ZINC000001668933 180581753 /nfs/dbraw/zinc/58/17/53/180581753.db2.gz RBVQMIZSMFCDGO-UHFFFAOYSA-N 1 0 245.109 2.374 40 0 BEABRO Clc1ccc(Cl)c(CN[C@H]2CC[NH2+]C2)c1 ZINC000072203639 180581934 /nfs/dbraw/zinc/58/19/34/180581934.db2.gz GEKKQTZSFZPESS-JTQLQIEISA-N 1 0 245.153 2.445 40 0 BEABRO C[N@@H+]1CCC[C@@H](Cc2nccnc2Cl)C1 ZINC000072363344 188131671 /nfs/dbraw/zinc/13/16/71/188131671.db2.gz IBLDKRUXJUEPSM-VIFPVBQESA-N 1 0 225.723 2.014 40 0 BEABRO CN1CC[NH2+]C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000072366078 188131675 /nfs/dbraw/zinc/13/16/75/188131675.db2.gz HDRXIWREZUUSFF-LLVKDONJSA-N 1 0 244.260 2.282 40 0 BEABRO O=c1[nH]c([C@@H]2CCC[NH2+]C2)cc2ccccc21 ZINC000072365938 188132251 /nfs/dbraw/zinc/13/22/51/188132251.db2.gz KUQYFVHUXBUYER-LLVKDONJSA-N 1 0 228.295 2.407 40 0 BEABRO CC(=O)OC/C=C(\C)CC[C@@H]1[NH2+]C1(C)C ZINC000169799763 188161963 /nfs/dbraw/zinc/16/19/63/188161963.db2.gz CQDDPUCJKMDJFL-DJYGCBNOSA-N 1 0 211.305 2.026 40 0 BEABRO C(C1CCOCC1)[NH+]1CCC2(CC2)CC1 ZINC000096078087 188147543 /nfs/dbraw/zinc/14/75/43/188147543.db2.gz WBPYLZQAGZDQRT-UHFFFAOYSA-N 1 0 209.333 2.289 40 0 BEABRO COc1ccc([C@@H](C)O[C@H]2CC[NH2+]C2)cc1 ZINC000096529880 188148364 /nfs/dbraw/zinc/14/83/64/188148364.db2.gz LZEIWEBVEJSGNL-MFKMUULPSA-N 1 0 221.300 2.135 40 0 BEABRO CC(C)Cn1nc(C(F)(F)F)c2c1CC[NH2+]C2 ZINC000217525676 188179336 /nfs/dbraw/zinc/17/93/36/188179336.db2.gz TXBBAABTHICDHE-UHFFFAOYSA-N 1 0 247.264 2.204 40 0 BEABRO Fc1ccc([C@H]2C[NH2+]C[C@H]2c2cc[nH]n2)cc1 ZINC000098089136 180983140 /nfs/dbraw/zinc/98/31/40/180983140.db2.gz NVTPVMPVSIFJTR-VXGBXAGGSA-N 1 0 231.274 2.019 40 0 BEABRO Fc1cccc(CN2CC[C@]23CCC[NH2+]C3)c1 ZINC000096239481 180996551 /nfs/dbraw/zinc/99/65/51/180996551.db2.gz BTTLYIOIYJWSRK-AWEZNQCLSA-N 1 0 234.318 2.154 40 0 BEABRO Fc1cccc2c([C@@H]3CC[NH2+]C3)c[nH]c21 ZINC000071490324 181004749 /nfs/dbraw/zinc/00/47/49/181004749.db2.gz SUNHDQPYXAYNHT-MRVPVSSYSA-N 1 0 204.248 2.384 40 0 BEABRO Fc1ccccc1COC[C@H]1CCC[NH2+]1 ZINC000051816416 181013029 /nfs/dbraw/zinc/01/30/29/181013029.db2.gz ZPBKLXSKUDAQHX-LLVKDONJSA-N 1 0 209.264 2.094 40 0 BEABRO Fc1ccccc1-c1nc([C@H]2CCC[NH2+]2)no1 ZINC000071396693 181008902 /nfs/dbraw/zinc/00/89/02/181008902.db2.gz BFMJKCXOJOFISB-SNVBAGLBSA-N 1 0 233.246 2.300 40 0 BEABRO NC(=[NH2+])COc1ccccc1C(F)(F)F ZINC000019471087 181186886 /nfs/dbraw/zinc/18/68/86/181186886.db2.gz JKOVBGMTLOUXKH-UHFFFAOYSA-N 1 0 218.178 2.020 40 0 BEABRO NC(=[NH2+])COc1cccc(C(F)(F)F)c1 ZINC000019841392 181187072 /nfs/dbraw/zinc/18/70/72/181187072.db2.gz PWIMNSLZJNNKID-UHFFFAOYSA-N 1 0 218.178 2.020 40 0 BEABRO NC(=[NH2+])COc1ccc(Cl)c2cccnc12 ZINC000055364103 181186508 /nfs/dbraw/zinc/18/65/08/181186508.db2.gz XDSQTFSFVVJRMK-UHFFFAOYSA-N 1 0 235.674 2.203 40 0 BEABRO Cc1ccc(OC[C@]2(O)CCC[NH2+]CC2)cc1C ZINC000399482146 356955328 /nfs/dbraw/zinc/95/53/28/356955328.db2.gz AWHPTIPDDQUVCT-HNNXBMFYSA-N 1 0 249.354 2.187 40 0 BEABRO FC1=CC=C2C([C@@H]3CC=[NH+]CC3)=CON2C1 ZINC000584577205 358092638 /nfs/dbraw/zinc/09/26/38/358092638.db2.gz GNXZNPDQZGCRAC-SECBINFHSA-N 1 0 220.247 2.349 40 0 BEABRO Cc1ccc([C@H](CO)[NH+]2CCCC2)cc1 ZINC000041213751 358745438 /nfs/dbraw/zinc/74/54/38/358745438.db2.gz FJYDANZWVOHKGU-ZDUSSCGKSA-N 1 0 205.301 2.124 40 0 BEABRO [NH3+]C1(c2ccnc(C(F)(F)F)c2)CC1 ZINC000095094340 181335580 /nfs/dbraw/zinc/33/55/80/181335580.db2.gz VGKKAMHFVUZJPJ-UHFFFAOYSA-N 1 0 202.179 2.048 40 0 BEABRO NC1(c2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC000098213731 181335104 /nfs/dbraw/zinc/33/51/04/181335104.db2.gz UKNQLVIOVZGXLR-UHFFFAOYSA-N 1 0 244.260 2.243 40 0 BEABRO [NH3+]CC1([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000096527065 181361689 /nfs/dbraw/zinc/36/16/89/181361689.db2.gz XLLGHOOVKPOUPF-SNVBAGLBSA-N 1 0 211.692 2.112 40 0 BEABRO Cc1c[nH]nc1[C@]1(C)C[N@@H+](C2CCCC2)CCO1 ZINC000205673879 368356331 /nfs/dbraw/zinc/35/63/31/368356331.db2.gz QKHUTFHOKRHHRE-AWEZNQCLSA-N 1 0 249.358 2.208 40 0 BEABRO c1cc(-c2cccc(CC3CC[NH2+]CC3)n2)n[nH]1 ZINC000205691932 368357758 /nfs/dbraw/zinc/35/77/58/368357758.db2.gz WFSMTXTVYCNLOX-UHFFFAOYSA-N 1 0 242.326 2.014 40 0 BEABRO c1ccc(N2CC[NH2+][C@H]3CCC[C@@H]32)cc1 ZINC000225716217 259541023 /nfs/dbraw/zinc/54/10/23/259541023.db2.gz IWLZDWNEKXPOPY-STQMWFEESA-N 1 0 202.301 2.017 40 0 BEABRO Cc1cn2c(C[NH2+]C(C)C)cnc2s1 ZINC000256054570 370638370 /nfs/dbraw/zinc/63/83/70/370638370.db2.gz WVYFKJUTBATTHY-UHFFFAOYSA-N 1 0 209.318 2.202 40 0 BEABRO [NH3+][C@@H]1CCCN(Cc2ccc(Cl)cc2F)C1 ZINC000038539825 181579041 /nfs/dbraw/zinc/57/90/41/181579041.db2.gz KURGQNCBQHVDDZ-LLVKDONJSA-N 1 0 242.725 2.402 40 0 BEABRO [NH3+][C@@H]1CCC[C@@H]1Nc1ccc(F)c(F)c1 ZINC000218884773 181582006 /nfs/dbraw/zinc/58/20/06/181582006.db2.gz SGLYJMFKFVWGQM-MNOVXSKESA-N 1 0 212.243 2.257 40 0 BEABRO [NH3+][C@@H]1CCCc2cc(Cl)ccc2[C@H]1O ZINC000008699466 181586118 /nfs/dbraw/zinc/58/61/18/181586118.db2.gz VVEBJLSVIQAOJM-GHMZBOCLSA-N 1 0 211.692 2.037 40 0 BEABRO [NH3+][C@H]1CC[C@H](N2Cc3cc(F)ccc3C2=O)CC1 ZINC000100806831 181591815 /nfs/dbraw/zinc/59/18/15/181591815.db2.gz KVDUEXIXPTYBQH-TXEJJXNPSA-N 1 0 248.301 2.051 40 0 BEABRO [NH3+][C@H]1CCCN(Cc2cccc(Cl)c2F)C1 ZINC000038539589 181645336 /nfs/dbraw/zinc/64/53/36/181645336.db2.gz OEWOWBWVURBHDG-JTQLQIEISA-N 1 0 242.725 2.402 40 0 BEABRO [NH3+][C@H]1CCC[C@@H]1Nc1cc(F)ccc1F ZINC000218882521 181647551 /nfs/dbraw/zinc/64/75/51/181647551.db2.gz XCPUZSHCBZMRPF-UWVGGRQHSA-N 1 0 212.243 2.257 40 0 BEABRO CCCCN(CCC[NH3+])C(=O)OC(C)(C)C ZINC000095863248 168809605 /nfs/dbraw/zinc/80/96/05/168809605.db2.gz NTOQTDPBGNSKAN-UHFFFAOYSA-N 1 0 230.352 2.372 40 0 BEABRO NCC(F)(F)Sc1ccc(F)cc1 ZINC000131749491 371666301 /nfs/dbraw/zinc/66/63/01/371666301.db2.gz AFHCNXNWVODIMG-UHFFFAOYSA-N 1 0 207.220 2.469 40 0 BEABRO O=C(CCC1CC[NH2+]CC1)Nc1ccccc1 ZINC000050931145 181907956 /nfs/dbraw/zinc/90/79/56/181907956.db2.gz QZICBYGQTVVDOC-UHFFFAOYSA-N 1 0 232.327 2.405 40 0 BEABRO OCC[C@@H](c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000001720362 183091625 /nfs/dbraw/zinc/09/16/25/183091625.db2.gz ORLHWXNQUUVXDC-KBPBESRZSA-N 1 0 219.328 2.295 40 0 BEABRO OC[C@@H](c1cccs1)[NH+]1CCCCC1 ZINC000041225795 183114759 /nfs/dbraw/zinc/11/47/59/183114759.db2.gz LTTIPDXODVYECM-JTQLQIEISA-N 1 0 211.330 2.267 40 0 BEABRO O[C@@H](c1cccc2ncccc21)[C@H]1CCCC[NH2+]1 ZINC000001873720 183186092 /nfs/dbraw/zinc/18/60/92/183186092.db2.gz GLUILMXLFMYLMU-CABCVRRESA-N 1 0 242.322 2.410 40 0 BEABRO O[C@@]12CCCC[C@H]1C[N@H+](Cc1ccccn1)CC2 ZINC000019401591 183218271 /nfs/dbraw/zinc/21/82/71/183218271.db2.gz RPRHYUWMVLXVKX-DZGCQCFKSA-N 1 0 246.354 2.209 40 0 BEABRO O[C@@H]1[C@@H]2CCC[C@H]1[C@H]([NH+]1CCCCC1)CC2 ZINC000000171826 183248927 /nfs/dbraw/zinc/24/89/27/183248927.db2.gz JFIGMNBDLSGWHQ-XJFOESAGSA-N 1 0 223.360 2.412 40 0 BEABRO O[C@@H]1[C@@H]2CC[C@H]1[C@@H]([NH+]1CCCCC1)CC2 ZINC000000184052 183249426 /nfs/dbraw/zinc/24/94/26/183249426.db2.gz OTFFUZVPVSDGHV-MROQNXINSA-N 1 0 209.333 2.022 40 0 BEABRO CCC[N@H+](C[C@H](N)CCSC)CC1CC1 ZINC000096523872 169137803 /nfs/dbraw/zinc/13/78/03/169137803.db2.gz MYZVIZJQPVCMOH-GFCCVEGCSA-N 1 0 230.421 2.189 40 0 BEABRO c1c2c(nn1C1CCCC1)C[C@@H]1CC[C@H]2[NH2+]1 ZINC000096510254 183323733 /nfs/dbraw/zinc/32/37/33/183323733.db2.gz MNUNPCMEPFJAOI-JOYOIKCWSA-N 1 0 217.316 2.347 40 0 BEABRO c1cc(-c2nccc(C[NH+]3CCCC3)n2)ccn1 ZINC000019405946 183331733 /nfs/dbraw/zinc/33/17/33/183331733.db2.gz HFPTYPBAVGFWLM-UHFFFAOYSA-N 1 0 240.310 2.134 40 0 BEABRO c1cc2cnccc2c(C[C@H]2C[NH2+]CCOC2)c1 ZINC000257197762 183355594 /nfs/dbraw/zinc/35/55/94/183355594.db2.gz IPOHPWMXJFTXBR-LBPRGKRZSA-N 1 0 242.322 2.013 40 0 BEABRO c1cc([C@@H]2CC[N@@H+](CCc3ccccc3)C2)n[nH]1 ZINC000072381576 183393125 /nfs/dbraw/zinc/39/31/25/183393125.db2.gz ZCWBNXPAYIFICZ-CQSZACIVSA-N 1 0 241.338 2.442 40 0 BEABRO CCC[NH2+][C@@H](C)Cc1ccc2c(c1)OCO2 ZINC000013673729 169275115 /nfs/dbraw/zinc/27/51/15/169275115.db2.gz LBXMQBTXOLBCCA-JTQLQIEISA-N 1 0 221.300 2.346 40 0 in-vitro BEABRO c1ccc([C@H]2COC3(C2)CC[NH2+]CC3)cc1 ZINC000238098683 183433506 /nfs/dbraw/zinc/43/35/06/183433506.db2.gz GNVPYMIJYSFKIB-CYBMUJFWSA-N 1 0 217.312 2.313 40 0 BEABRO CCCOc1ccc(C[NH3+])cc1OCC ZINC000004227551 169318774 /nfs/dbraw/zinc/31/87/74/169318774.db2.gz GZQOPJITBMCEMX-UHFFFAOYSA-N 1 0 209.289 2.333 40 0 BEABRO c1ccc2nc(NC[C@H]3CCC[NH2+]C3)cnc2c1 ZINC000044029902 183458561 /nfs/dbraw/zinc/45/85/61/183458561.db2.gz WVCMPUROGVKMTA-NSHDSACASA-N 1 0 242.326 2.041 40 0 BEABRO c1ccc2ncc(C[C@H]3CC[NH2+]C3)cc2c1 ZINC000072387231 183460001 /nfs/dbraw/zinc/46/00/01/183460001.db2.gz XEJXPRXYDPNTNM-LLVKDONJSA-N 1 0 212.296 2.387 40 0 BEABRO c1ccc2ncc(C[C@@H]3CC[NH2+]C3)cc2c1 ZINC000072387230 183460568 /nfs/dbraw/zinc/46/05/68/183460568.db2.gz XEJXPRXYDPNTNM-NSHDSACASA-N 1 0 212.296 2.387 40 0 BEABRO CCCc1ccc(C[NH2+]CCCOC)n1C ZINC000226020693 169570458 /nfs/dbraw/zinc/57/04/58/169570458.db2.gz JWTNVBPXIYJZNF-UHFFFAOYSA-N 1 0 224.348 2.104 40 0 BEABRO [NH3+]CCCc1ccc(OC(F)(F)F)cc1 ZINC000035321562 383850792 /nfs/dbraw/zinc/85/07/92/383850792.db2.gz NMMRPWQPYYIKRW-UHFFFAOYSA-N 1 0 219.206 2.477 40 0 BEABRO Cc1ccc(C)c(C[C@@H](O)C[NH2+]CC(C)C)c1 ZINC000001676679 383921078 /nfs/dbraw/zinc/92/10/78/383921078.db2.gz BAOQPSLEFOGGTO-OAHLLOKOSA-N 1 0 235.371 2.452 40 0 BEABRO CCCC[n+]1cc(C(N)=O)cc2ccccc21 ZINC000001717211 383929203 /nfs/dbraw/zinc/92/92/03/383929203.db2.gz IKXPKSFETQCJOR-UHFFFAOYSA-O 1 0 229.303 2.026 40 0 BEABRO C[n+]1cccc(/C=C/C(=O)Nc2ccccc2)c1 ZINC000001749843 383933244 /nfs/dbraw/zinc/93/32/44/383933244.db2.gz RVPPAVZBHGHYOB-MDZDMXLPSA-O 1 0 239.298 2.163 40 0 BEABRO CN(Cc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000036301448 383897626 /nfs/dbraw/zinc/89/76/26/383897626.db2.gz ACQDHZQEGWNFHW-UHFFFAOYSA-N 1 0 222.307 2.010 40 0 BEABRO CCN(CC[NH3+])Cc1cccc(Cl)c1 ZINC000039318904 383901350 /nfs/dbraw/zinc/90/13/50/383901350.db2.gz CEGPYWJJEVYOQS-UHFFFAOYSA-N 1 0 212.724 2.121 40 0 BEABRO CC[NH2+]Cc1cc(OC)ccc1OCC ZINC000034655804 383980704 /nfs/dbraw/zinc/98/07/04/383980704.db2.gz PDNKPLCSJPWQIP-UHFFFAOYSA-N 1 0 209.289 2.203 40 0 BEABRO C[C@@H]([NH3+])COCc1ccc(OC(F)F)cc1 ZINC000089263513 383958883 /nfs/dbraw/zinc/95/88/83/383958883.db2.gz KFHISSGQOPRACM-MRVPVSSYSA-N 1 0 231.242 2.152 40 0 BEABRO [NH3+]C[C@H](O)c1ccc(Oc2ccccc2)cc1 ZINC000002554005 383974304 /nfs/dbraw/zinc/97/43/04/383974304.db2.gz UADSXSNKALEKAM-AWEZNQCLSA-N 1 0 229.279 2.471 40 0 BEABRO CCc1cc(N)cc2nc(C3=CC[NH2+]CC3)oc21 ZINC000073642759 384027873 /nfs/dbraw/zinc/02/78/73/384027873.db2.gz ILRYLJWBMIFHBJ-UHFFFAOYSA-N 1 0 243.310 2.349 40 0 BEABRO CC[C@H](C)[C@H]1C[NH2+]CCN1C(=O)OC(C)(C)C ZINC000039952001 384123359 /nfs/dbraw/zinc/12/33/59/384123359.db2.gz CEOFDGBRMUSCDU-WDEREUQCSA-N 1 0 242.363 2.241 40 0 BEABRO C[NH2+][C@@H]1CCCC[C@H]1N(C)C(=O)OC(C)(C)C ZINC000079437583 384146826 /nfs/dbraw/zinc/14/68/26/384146826.db2.gz SSLOSKCKBZUWFU-GHMZBOCLSA-N 1 0 242.363 2.384 40 0 BEABRO [NH3+][C@@H]1CCC[C@H](NC(=O)OCc2ccccc2)C1 ZINC000091675903 384138365 /nfs/dbraw/zinc/13/83/65/384138365.db2.gz NFWZARAFTINKJK-OLZOCXBDSA-N 1 0 248.326 2.183 40 0 BEABRO [NH3+]Cc1ccccc1OCCC(F)(F)F ZINC000080936527 384178799 /nfs/dbraw/zinc/17/87/99/384178799.db2.gz MYFOSTGYBZREFP-UHFFFAOYSA-N 1 0 219.206 2.477 40 0 BEABRO C[C@H](CC(=O)N1CC[NH2+][C@H](C)C1)CC(C)(C)C ZINC000071978897 384192525 /nfs/dbraw/zinc/19/25/25/384192525.db2.gz MAIZCWMVHAYQEK-VXGBXAGGSA-N 1 0 240.391 2.269 40 0 BEABRO C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072207665 384199353 /nfs/dbraw/zinc/19/93/53/384199353.db2.gz XAMKXROYRZILBP-GHMZBOCLSA-N 1 0 242.363 2.384 40 0 BEABRO C[N@@H+]1CCC[C@@H](Cc2ccc(Cl)nn2)CC1 ZINC000072343829 384208939 /nfs/dbraw/zinc/20/89/39/384208939.db2.gz OLGMPPNIMUBFLS-SNVBAGLBSA-N 1 0 239.750 2.404 40 0 BEABRO CC(C)[NH+]1CC(c2cc3cccnc3[nH]2)C1 ZINC000072381399 384216882 /nfs/dbraw/zinc/21/68/82/384216882.db2.gz ZCMPBCROBABUNZ-UHFFFAOYSA-N 1 0 215.300 2.371 40 0 BEABRO c1cncc(-c2cnc(C3CC[NH2+]CC3)cn2)c1 ZINC000072386807 384219550 /nfs/dbraw/zinc/21/95/50/384219550.db2.gz NAJILLIJAHQDBB-UHFFFAOYSA-N 1 0 240.310 2.006 40 0 BEABRO Cc1[nH]c2ccccc2c1-c1noc(CC[NH3+])n1 ZINC000082550393 384313526 /nfs/dbraw/zinc/31/35/26/384313526.db2.gz KLGOWBUZLVZRHW-UHFFFAOYSA-N 1 0 242.282 2.028 40 0 BEABRO CCCCC(=O)N1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC000096047403 384427507 /nfs/dbraw/zinc/42/75/07/384427507.db2.gz NGMBSZQCDGBSKA-AWEZNQCLSA-N 1 0 238.375 2.311 40 0 BEABRO Cc1ccncc1COC[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000096218269 384443162 /nfs/dbraw/zinc/44/31/62/384443162.db2.gz NZRRQFKHNGQJEP-CABCVRRESA-N 1 0 246.354 2.296 40 0 BEABRO Clc1ccc2c(c1)C1(CN2)CC[NH2+]CC1 ZINC000079032893 384478875 /nfs/dbraw/zinc/47/88/75/384478875.db2.gz YSVJREIBZDWEOQ-UHFFFAOYSA-N 1 0 222.719 2.387 40 0 BEABRO c1ccc2c(c1)CC[NH2+][C@H]2c1cccnc1 ZINC000019624621 384529465 /nfs/dbraw/zinc/52/94/65/384529465.db2.gz PQUCZQQPRMLVLB-AWEZNQCLSA-N 1 0 210.280 2.317 40 0 BEABRO C[C@@](C[NH3+])(c1cccs1)N1CCCCC1 ZINC000070453217 384563891 /nfs/dbraw/zinc/56/38/91/384563891.db2.gz LTHWKBJZIGQDIN-GFCCVEGCSA-N 1 0 224.373 2.408 40 0 BEABRO CN(C)[C@](C)(C[NH3+])c1ccccc1Cl ZINC000070453416 384564043 /nfs/dbraw/zinc/56/40/43/384564043.db2.gz NGVWOVMILZLGDI-LLVKDONJSA-N 1 0 212.724 2.076 40 0 BEABRO C[C@@H]([NH3+])[C@H]1C[C@@H]1c1ccc(N(C)C)cc1 ZINC000020594532 384623060 /nfs/dbraw/zinc/62/30/60/384623060.db2.gz VTBIATVXDXCNEC-OASPWFOLSA-N 1 0 204.317 2.203 40 0 BEABRO CC(=O)c1c(N)sc2c1C[C@@H]1CC[C@H]2[N@@H+]1C ZINC000083744561 384857676 /nfs/dbraw/zinc/85/76/76/384857676.db2.gz JVVYEWFPMWXSTB-IONNQARKSA-N 1 0 236.340 2.224 40 0 BEABRO Cc1cccc(NC(=O)[C@@H]2CCCCC[NH2+]2)c1 ZINC000083896441 384920564 /nfs/dbraw/zinc/92/05/64/384920564.db2.gz VNAAVDLEBQNDPT-ZDUSSCGKSA-N 1 0 232.327 2.466 40 0 BEABRO Cc1ccccc1NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000083896460 384921659 /nfs/dbraw/zinc/92/16/59/384921659.db2.gz WOACAQKDPLFSMO-ZDUSSCGKSA-N 1 0 232.327 2.466 40 0 BEABRO Cc1ccc(NC(=O)[C@@H]2CCCCC[NH2+]2)cc1 ZINC000083896434 384921686 /nfs/dbraw/zinc/92/16/86/384921686.db2.gz IQWZTPDZYDOMTF-ZDUSSCGKSA-N 1 0 232.327 2.466 40 0 BEABRO C[NH+](C)CCCNCc1ccc(Cl)cc1 ZINC000057322201 384938702 /nfs/dbraw/zinc/93/87/02/384938702.db2.gz JBCZCAQAEQISHN-UHFFFAOYSA-N 1 0 226.751 2.381 40 0 BEABRO CC[C@@H](C)c1noc(C2CC[NH2+]CC2)n1 ZINC000057340771 384938989 /nfs/dbraw/zinc/93/89/89/384938989.db2.gz YTIZVSRZMKIRQN-MRVPVSSYSA-N 1 0 209.293 2.050 40 0 BEABRO CCOc1cc(C[NH2+]C)c(Cl)cc1OC ZINC000095094953 384963092 /nfs/dbraw/zinc/96/30/92/384963092.db2.gz RRRVHUVXEBJFTE-UHFFFAOYSA-N 1 0 229.707 2.467 40 0 BEABRO COc1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC000072211677 385071466 /nfs/dbraw/zinc/07/14/66/385071466.db2.gz FWFQSNCGOZDMOU-LLVKDONJSA-N 1 0 206.289 2.247 40 0 BEABRO CC(C)Oc1ncccc1[C@H]1CCC[NH2+]1 ZINC000072211942 385075603 /nfs/dbraw/zinc/07/56/03/385075603.db2.gz XCFLCPBMSUBXAH-LLVKDONJSA-N 1 0 206.289 2.293 40 0 BEABRO CC[N@@H+]1CCCC[C@@H]1c1cccnc1N ZINC000072212432 385076121 /nfs/dbraw/zinc/07/61/21/385076121.db2.gz DWEHNGWAWWDYMG-LLVKDONJSA-N 1 0 205.305 2.211 40 0 BEABRO CC[N@@H+]1CCCC[C@H]1c1cccnc1N ZINC000072212433 385076773 /nfs/dbraw/zinc/07/67/73/385076773.db2.gz DWEHNGWAWWDYMG-NSHDSACASA-N 1 0 205.305 2.211 40 0 BEABRO CCN(CC)c1ncccc1[C@H]1CCC[NH2+]1 ZINC000072212879 385079928 /nfs/dbraw/zinc/07/99/28/385079928.db2.gz KFDLTBPAVJUFIQ-GFCCVEGCSA-N 1 0 219.332 2.352 40 0 BEABRO c1cc(NC2CC2)ncc1[C@@H]1CCC[NH2+]1 ZINC000072213760 385082004 /nfs/dbraw/zinc/08/20/04/385082004.db2.gz IRQXRYADAAELTH-NSHDSACASA-N 1 0 203.289 2.080 40 0 BEABRO CC[C@H](C)[NH2+]Cc1cnc(NC(C)C)nc1 ZINC000062717620 385035642 /nfs/dbraw/zinc/03/56/42/385035642.db2.gz JBYQRZHVUZENDP-JTQLQIEISA-N 1 0 222.336 2.185 40 0 BEABRO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccccn2)cn1 ZINC000072187782 385045712 /nfs/dbraw/zinc/04/57/12/385045712.db2.gz MWSODTMRJLYVLQ-AWEZNQCLSA-N 1 0 242.326 2.152 40 0 BEABRO Cc1cc(N2CCCCC2)ncc1[C@@H](C)[NH3+] ZINC000072223503 385113695 /nfs/dbraw/zinc/11/36/95/385113695.db2.gz VMYKZNSLHJFKDM-LLVKDONJSA-N 1 0 219.332 2.400 40 0 BEABRO CNc1ccc([C@@H]([NH3+])c2ccccc2)c(C)n1 ZINC000072224109 385115181 /nfs/dbraw/zinc/11/51/81/385115181.db2.gz XZCIULWRVROEDG-AWEZNQCLSA-N 1 0 227.311 2.480 40 0 BEABRO Cc1cc(NC(C)(C)C)[nH+]cc1CCO ZINC000072223985 385116940 /nfs/dbraw/zinc/11/69/40/385116940.db2.gz DSCUTCHUKDKRCK-UHFFFAOYSA-N 1 0 208.305 2.135 40 0 BEABRO Cc1n[nH]c(C)c1CNc1ccccn1 ZINC000072226477 385124802 /nfs/dbraw/zinc/12/48/02/385124802.db2.gz WISVEXZKRMJITJ-UHFFFAOYSA-N 1 0 202.261 2.034 40 0 BEABRO [NH3+]C[C@@H]1CCCn2cc(-c3ccccc3)nc21 ZINC000072226603 385128395 /nfs/dbraw/zinc/12/83/95/385128395.db2.gz OJLKJKYJGPZOJI-LBPRGKRZSA-N 1 0 227.311 2.386 40 0 BEABRO C[C@@H]1[C@H](C)[N@@H+](C)CC[C@]1(O)c1ccccc1 ZINC000003996632 385130043 /nfs/dbraw/zinc/13/00/43/385130043.db2.gz BPCAXUWVIOXYQR-MBNYWOFBSA-N 1 0 219.328 2.234 40 0 BEABRO Cc1cc([C@@H]2CCC[N@H+]2C)c[nH]c1=S ZINC000072218245 385099818 /nfs/dbraw/zinc/09/98/18/385099818.db2.gz XNYOUKMMXOSSOY-JTQLQIEISA-N 1 0 208.330 2.445 40 0 BEABRO Cc1cc(=S)[nH]cc1[C@H]1CCC[N@H+]1C ZINC000072218306 385100057 /nfs/dbraw/zinc/10/00/57/385100057.db2.gz CBGSOLUGYGGVLY-SNVBAGLBSA-N 1 0 208.330 2.445 40 0 BEABRO CC[N@@H+]1CCC[C@@H]1c1c[nH]c(=O)cc1C ZINC000072218131 385102067 /nfs/dbraw/zinc/10/20/67/385102067.db2.gz MOJFHVHYVXQKNE-LLVKDONJSA-N 1 0 206.289 2.252 40 0 BEABRO c1csc(-c2nc(CC3CC[NH2+]CC3)no2)c1 ZINC000096511434 385252418 /nfs/dbraw/zinc/25/24/18/385252418.db2.gz FONPEOPMQAUUSW-UHFFFAOYSA-N 1 0 249.339 2.340 40 0 BEABRO [NH3+][C@@H]1CCN(CCCC2CCCCC2)C1 ZINC000096523514 385266763 /nfs/dbraw/zinc/26/67/63/385266763.db2.gz KDDMXPVXTDQVRK-CYBMUJFWSA-N 1 0 210.365 2.380 40 0 BEABRO [NH3+][C@@H]1CCCN(CCCCc2ccccc2)C1 ZINC000096523550 385269579 /nfs/dbraw/zinc/26/95/79/385269579.db2.gz INDHTHGSTADQOH-OAHLLOKOSA-N 1 0 232.371 2.432 40 0 BEABRO CCCCN(Cc1ccco1)C[C@@H](C)[NH3+] ZINC000096523894 385270620 /nfs/dbraw/zinc/27/06/20/385270620.db2.gz UVMJFMOOCSKQQI-LLVKDONJSA-N 1 0 210.321 2.229 40 0 BEABRO CNc1nc(C)[nH+]c(NC)c1Cc1ccccc1 ZINC000005669789 385636087 /nfs/dbraw/zinc/63/60/87/385636087.db2.gz NUPLCWFGOMOARD-UHFFFAOYSA-N 1 0 242.326 2.459 40 0 BEABRO CCCCN(CCCC)C(=O)C[NH2+]C1CC1 ZINC000037395061 385642048 /nfs/dbraw/zinc/64/20/48/385642048.db2.gz MUXFTDFMJOQWAO-UHFFFAOYSA-N 1 0 226.364 2.167 40 0 BEABRO C[C@@H]([NH3+])c1nc2cc(Br)ccc2[nH]1 ZINC000037441128 385653301 /nfs/dbraw/zinc/65/33/01/385653301.db2.gz HLIXKZWWISMBDS-RXMQYKEDSA-N 1 0 240.104 2.345 40 0 BEABRO CCN(CC)[C@H](C[NH3+])c1cccc(F)c1 ZINC000022172301 385685528 /nfs/dbraw/zinc/68/55/28/385685528.db2.gz RSVDJBPUBHVGLL-GFCCVEGCSA-N 1 0 210.296 2.167 40 0 BEABRO [NH3+]C[C@@]1(CO)C[C@@H]1c1ccc(Cl)cc1Cl ZINC000062713463 385698579 /nfs/dbraw/zinc/69/85/79/385698579.db2.gz RGVYVANDZZIXKK-MWLCHTKSSA-N 1 0 246.137 2.418 40 0 BEABRO CCc1ccccc1CN1CCC[C@H]([NH3+])C1 ZINC000038539494 385667726 /nfs/dbraw/zinc/66/77/26/385667726.db2.gz DDTJKIYABAGRFL-AWEZNQCLSA-N 1 0 218.344 2.172 40 0 BEABRO c1ccc([C@@H]2CCC[N@@H+]2C2CCOCC2)nc1 ZINC000257229162 385756038 /nfs/dbraw/zinc/75/60/38/385756038.db2.gz FWXTYTRXDOOXHX-AWEZNQCLSA-N 1 0 232.327 2.398 40 0 BEABRO CN(c1ccccc1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000257270530 385758672 /nfs/dbraw/zinc/75/86/72/385758672.db2.gz MUQHOHPPNYKXCM-AWEZNQCLSA-N 1 0 246.354 2.034 40 0 BEABRO CCCC[NH2+]Cc1cnc(NCCC)nc1 ZINC000062717676 385724274 /nfs/dbraw/zinc/72/42/74/385724274.db2.gz AJLRYYGAOBFFGF-UHFFFAOYSA-N 1 0 222.336 2.188 40 0 BEABRO Clc1ccc2c(c1)[C@@]1(CCC2)COCC[NH2+]1 ZINC000306145355 385991530 /nfs/dbraw/zinc/99/15/30/385991530.db2.gz CHVUFDDVZSOFML-CYBMUJFWSA-N 1 0 237.730 2.491 40 0 BEABRO C[C@]1(c2ccc(Cl)cc2)CC(C[NH3+])=NO1 ZINC000222551179 386053596 /nfs/dbraw/zinc/05/35/96/386053596.db2.gz RXHVOIDDRDXAMU-LLVKDONJSA-N 1 0 224.691 2.290 40 0 BEABRO CC[NH+](CC)[C@@H](CN)c1cccc(C)c1 ZINC000038860265 386139037 /nfs/dbraw/zinc/13/90/37/386139037.db2.gz PYCOBKDXVRLWGL-ZDUSSCGKSA-N 1 0 206.333 2.337 40 0 BEABRO C1C[C@@H]2[C@H](C1)NCC[N@H+]2C1CCCCC1 ZINC000218851303 386253085 /nfs/dbraw/zinc/25/30/85/386253085.db2.gz GHGZLQZVXKLYNC-QWHCGFSZSA-N 1 0 208.349 2.145 40 0 BEABRO Fc1ccc(F)c(N2CC[NH2+][C@@H]3CCC[C@H]32)c1 ZINC000218847524 386262518 /nfs/dbraw/zinc/26/25/18/386262518.db2.gz SKVSERVTWVFWIX-VXGBXAGGSA-N 1 0 238.281 2.296 40 0 BEABRO Cc1c(F)cccc1N[C@@H]1CCC[C@H]1[NH3+] ZINC000218882271 386506592 /nfs/dbraw/zinc/50/65/92/386506592.db2.gz QKAYBOXPNVFHOI-ZYHUDNBSSA-N 1 0 208.280 2.426 40 0 BEABRO [NH3+][C@@H]1CCC[C@@H]1Nc1c(F)cccc1F ZINC000218882792 386507051 /nfs/dbraw/zinc/50/70/51/386507051.db2.gz NAFSIPKLEYJQMA-ZJUUUORDSA-N 1 0 212.243 2.257 40 0 BEABRO C[C@H](N[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000218886523 386514788 /nfs/dbraw/zinc/51/47/88/386514788.db2.gz VJNYIIHZUKMQSU-WCFLWFBJSA-N 1 0 204.317 2.217 40 0 BEABRO c1ccc2oc(NC[C@H]3CCCC[NH2+]3)nc2c1 ZINC000044493352 386790976 /nfs/dbraw/zinc/79/09/76/386790976.db2.gz SBWSJVQGYSXXMF-SNVBAGLBSA-N 1 0 231.299 2.382 40 0 BEABRO NC(=[NH2+])[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000575423449 387039055 /nfs/dbraw/zinc/03/90/55/387039055.db2.gz NJRWLSBDDNFIKQ-DTWKUNHWSA-N 1 0 239.116 2.489 40 0 BEABRO CO[C@H](C)CN1CCn2c(cc3ccccc32)C1 ZINC000336029876 387010077 /nfs/dbraw/zinc/01/00/77/387010077.db2.gz BXDXPCKOGXSDRO-GFCCVEGCSA-N 1 0 244.338 2.492 40 0 BEABRO C[C@H]([NH2+]CCC1(O)CCC1)c1cccc(O)c1 ZINC000284462497 387188797 /nfs/dbraw/zinc/18/87/97/387188797.db2.gz VDOSYYPKGGFWRN-NSHDSACASA-N 1 0 235.327 2.348 40 0 BEABRO C(=C/c1ccccc1)\CC[NH2+][C@@H]1CCCNC1 ZINC000079439245 387854609 /nfs/dbraw/zinc/85/46/09/387854609.db2.gz ZXOMGXZWDRHMEO-BCFOUKGLSA-N 1 0 230.355 2.432 40 0 BEABRO Nc1c(Cl)cc(Cl)c(F)c1C[NH3+] ZINC000083318289 387854706 /nfs/dbraw/zinc/85/47/06/387854706.db2.gz MMLCLGQEXZIMFA-UHFFFAOYSA-N 1 0 209.051 2.173 40 0 BEABRO CCCn1cc(C[NH2+]CC(C)C)c(C)n1 ZINC000070631432 387855983 /nfs/dbraw/zinc/85/59/83/387855983.db2.gz UIHXVLIGEAUOAO-UHFFFAOYSA-N 1 0 209.337 2.347 40 0 BEABRO CCCCCC[NH2+]Cc1c(C)cnn1C ZINC000256050962 387859194 /nfs/dbraw/zinc/85/91/94/387859194.db2.gz HEVBUWDWYYSGDO-UHFFFAOYSA-N 1 0 209.337 2.398 40 0 BEABRO CN[C@@H](C[NH3+])c1c(Cl)cccc1Cl ZINC000050269914 387954229 /nfs/dbraw/zinc/95/42/29/387954229.db2.gz ZAECCYQEMWHUQD-QMMMGPOBSA-N 1 0 219.115 2.213 40 0 BEABRO CN1C[C@H]([NH3+])[C@H](c2cccc3ccccc32)C1 ZINC000217661804 387979426 /nfs/dbraw/zinc/97/94/26/387979426.db2.gz ZFXMGGNUDJFQJW-GJZGRUSLSA-N 1 0 226.323 2.196 40 0 BEABRO CCN(CCC(N)=[NH2+])c1cccc(C)c1 ZINC000026898027 387993313 /nfs/dbraw/zinc/99/33/13/387993313.db2.gz AFXUBUVMOAIUQU-UHFFFAOYSA-N 1 0 205.305 2.147 40 0 BEABRO OC[C@]1(c2ccccc2)CC[N@@H+]2CCCC[C@H]21 ZINC000245240296 388086391 /nfs/dbraw/zinc/08/63/91/388086391.db2.gz QKDCTUBAQIWOAZ-GJZGRUSLSA-N 1 0 231.339 2.175 40 0 BEABRO CC(=O)NCc1ccc([C@H]2CCCCC[NH2+]2)o1 ZINC000217460990 256593389 /nfs/dbraw/zinc/59/33/89/256593389.db2.gz IWFONKNXPHCYAZ-GFCCVEGCSA-N 1 0 236.315 2.120 40 0 BEABRO Cc1ccc(O[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000038580855 388405225 /nfs/dbraw/zinc/40/52/25/388405225.db2.gz SRWOZLYKUYJVRB-SNVBAGLBSA-N 1 0 209.264 2.265 40 0 BEABRO [NH3+]Cc1ccc2nc3c(nc2c1)[C@@H]1CC[C@H]3C1 ZINC000217622117 388378495 /nfs/dbraw/zinc/37/84/95/388378495.db2.gz VXCMJHSSHQVAMK-VHSXEESVSA-N 1 0 225.295 2.453 40 0 BEABRO C[C@@H](O[C@@H]1CC[NH2+]C1)c1cccnc1Cl ZINC000242750731 388400794 /nfs/dbraw/zinc/40/07/94/388400794.db2.gz ZXXKJEMOKZMKSL-RKDXNWHRSA-N 1 0 226.707 2.175 40 0 BEABRO C[N@@H+]1C[C@H](CO)[C@H](c2cccc3ccccc32)C1 ZINC000217672146 256841828 /nfs/dbraw/zinc/84/18/28/256841828.db2.gz ZNNSSQQNZDAPMD-CZUORRHYSA-N 1 0 241.334 2.477 40 0 BEABRO Cc1ccc([C@H](CCO)CC[NH+](C)C)cc1 ZINC000217800273 388573806 /nfs/dbraw/zinc/57/38/06/388573806.db2.gz LXVFMXIBNVLYLF-AWEZNQCLSA-N 1 0 221.344 2.413 40 0 BEABRO C[C@H]([NH3+])[C@@H]1C[C@H]1c1ccc2c(c1)CCO2 ZINC000242400309 388580591 /nfs/dbraw/zinc/58/05/91/388580591.db2.gz ATVUCOFCESBIAI-UWJYBYFXSA-N 1 0 203.285 2.072 40 0 BEABRO CCC[C@H](C(=O)OC)[N@@H+]1CCCC[C@H]1C ZINC000248126402 388673932 /nfs/dbraw/zinc/67/39/32/388673932.db2.gz XCUSXHHSDBPAFM-GHMZBOCLSA-N 1 0 213.321 2.203 40 0 BEABRO CCCC[NH2+]Cc1cnc(NC(C)C)nc1 ZINC000062717602 388656171 /nfs/dbraw/zinc/65/61/71/388656171.db2.gz FZEFHAXQSDGART-UHFFFAOYSA-N 1 0 222.336 2.187 40 0 BEABRO [NH3+][C@H](c1ccc2c(n1)CCCC2)C1CC1 ZINC000242463601 388741814 /nfs/dbraw/zinc/74/18/14/388741814.db2.gz DFLZPJFDHSIODM-ZDUSSCGKSA-N 1 0 202.301 2.370 40 0 BEABRO CN(c1nc2ccccc2o1)[C@H]1CCC[NH2+]C1 ZINC000079440536 388695842 /nfs/dbraw/zinc/69/58/42/388695842.db2.gz OSVSBLNEJFKFOZ-JTQLQIEISA-N 1 0 231.299 2.016 40 0 BEABRO [NH3+]C[C@H](c1c(F)cccc1F)N1CCCCC1 ZINC000095098740 388760390 /nfs/dbraw/zinc/76/03/90/388760390.db2.gz WGHRSCWLDDGEMA-GFCCVEGCSA-N 1 0 240.297 2.451 40 0 BEABRO Cc1cc(F)ccc1N1CC[NH2+][C@H]2CCC[C@@H]21 ZINC000225717430 388840422 /nfs/dbraw/zinc/84/04/22/388840422.db2.gz PDPKXEVVDGTIIZ-JSGCOSHPSA-N 1 0 234.318 2.465 40 0 BEABRO CC(C)OCCCN1CC[NH2+][C@H]2CCCC[C@@H]21 ZINC000225712537 388841380 /nfs/dbraw/zinc/84/13/80/388841380.db2.gz SVOFHSOHNPEOPL-KBPBESRZSA-N 1 0 240.391 2.018 40 0 BEABRO Fc1ccccc1N1CC[NH2+][C@H]2CCC[C@H]21 ZINC000218845466 132290618 /nfs/dbraw/zinc/29/06/18/132290618.db2.gz GLTPNMWLBDHGSZ-WCQYABFASA-N 1 0 220.291 2.156 40 0 BEABRO Fc1ccc(N2CC[NH2+][C@H]3CCC[C@H]32)cc1 ZINC000218844561 132290964 /nfs/dbraw/zinc/29/09/64/132290964.db2.gz SILOSBBKHXSDGL-QWHCGFSZSA-N 1 0 220.291 2.156 40 0 BEABRO C[C@@H]1C[NH2+]CCN1c1ccc(Cl)cc1 ZINC000002164486 132314931 /nfs/dbraw/zinc/31/49/31/132314931.db2.gz YOOLKLKIUUTLFC-SECBINFHSA-N 1 0 210.708 2.138 40 0 BEABRO C[C@@H]1CN(c2ccc(N)cc2Cl)C[C@H](C)[NH2+]1 ZINC000008701191 132318885 /nfs/dbraw/zinc/31/88/85/132318885.db2.gz XMCZSVZCOOYCDS-DTORHVGOSA-N 1 0 239.750 2.109 40 0 BEABRO c1ccc([C@@H]2CN(c3cc[nH+]cc3)CCO2)nc1 ZINC000072356932 132396383 /nfs/dbraw/zinc/39/63/83/132396383.db2.gz MOHTYCXISXHIHB-AWEZNQCLSA-N 1 0 241.294 2.055 40 0 BEABRO [NH3+]C[C@H]1Cc2ccccc2N(CC2CC2)C1 ZINC000096510384 132432194 /nfs/dbraw/zinc/43/21/94/132432194.db2.gz PGFRBHOXYYHBIN-GFCCVEGCSA-N 1 0 216.328 2.034 40 0 BEABRO [NH3+]Cc1cccc2c(Br)ccnc12 ZINC000199523474 134215286 /nfs/dbraw/zinc/21/52/86/134215286.db2.gz FWSBXOAPRRAUAA-UHFFFAOYSA-N 1 0 237.100 2.456 40 0 BEABRO O=C(Nc1ccc(F)cc1)[C@@H]1CCCCC[NH2+]1 ZINC000080993363 135384929 /nfs/dbraw/zinc/38/49/29/135384929.db2.gz UMZJJSKWQDMDCV-LBPRGKRZSA-N 1 0 236.290 2.296 40 0 BEABRO [NH3+]Cc1nc(-c2ccccc2)c2ccccn21 ZINC000083253553 409871229 /nfs/dbraw/zinc/87/12/29/409871229.db2.gz IELUECPFHVCOGX-UHFFFAOYSA-N 1 0 223.279 2.460 40 0 BEABRO Brc1ccc2cccc[n+]2c1 ZINC000071255666 166099095 /nfs/dbraw/zinc/09/90/95/166099095.db2.gz DGVYRHQJSBKEKF-UHFFFAOYSA-N 1 0 209.066 2.188 40 0 BEABRO Brc1ccc2c(c1)[C@@]1(CC[NH2+]1)CO2 ZINC000306145658 166099932 /nfs/dbraw/zinc/09/99/32/166099932.db2.gz MGUDYPAFNSTDTI-SNVBAGLBSA-N 1 0 240.100 2.030 40 0 BEABRO Brc1ccc([C@@]23C[C@@H]2C[NH2+]C3)cc1 ZINC000027549652 166100134 /nfs/dbraw/zinc/10/01/34/166100134.db2.gz KHJRUTSPEDPIBP-KOLCDFICSA-N 1 0 238.128 2.310 40 0 BEABRO CC(C)C[NH2+][C@H]1c2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC000096157377 167015635 /nfs/dbraw/zinc/01/56/35/167015635.db2.gz VFTINDXPLPKLQE-KKUMJFAQSA-N 1 0 230.355 2.290 40 0 BEABRO CC(C)[N@@H+]1CC[C@H](Nc2ccnc(Cl)n2)C1 ZINC000038579680 167024857 /nfs/dbraw/zinc/02/48/57/167024857.db2.gz ZRRCHVQXBQFVQU-VIFPVBQESA-N 1 0 240.738 2.025 40 0 BEABRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCC[S@](C)=O ZINC000152586241 168102580 /nfs/dbraw/zinc/10/25/80/168102580.db2.gz HWQPBNPAKZEJAL-XJKCOSOUSA-N 1 0 243.416 2.337 40 0 BEABRO CCC(=O)NCCC[N@H+]1CCCC[C@@H]1CC ZINC000225258351 168228723 /nfs/dbraw/zinc/22/87/23/168228723.db2.gz LIICHGVIIAHLRV-LBPRGKRZSA-N 1 0 226.364 2.167 40 0 BEABRO CCC(C)(C)OC[C@H](O)C[NH+]1CCCCCC1 ZINC000028295255 168303730 /nfs/dbraw/zinc/30/37/30/168303730.db2.gz ZNLDNTBPYCJILD-CYBMUJFWSA-N 1 0 243.391 2.429 40 0 BEABRO CC[N@@H+]1CC[C@]12CCN(Cc1ccccc1F)C2 ZINC000096090185 170024264 /nfs/dbraw/zinc/02/42/64/170024264.db2.gz BSECRFUCVOVEKD-HNNXBMFYSA-N 1 0 248.345 2.496 40 0 BEABRO CC[NH2+]CCCCCNC(=O)OC(C)(C)C ZINC000015020977 170111597 /nfs/dbraw/zinc/11/15/97/170111597.db2.gz HSYFFBMGEABTLW-UHFFFAOYSA-N 1 0 230.352 2.291 40 0 BEABRO CC[NH2+]Cc1cc(-c2cccs2)nn1C ZINC000072226266 170123989 /nfs/dbraw/zinc/12/39/89/170123989.db2.gz OMBMZVDCRHHHCW-UHFFFAOYSA-N 1 0 221.329 2.258 40 0 BEABRO CC[NH2+]Cc1c(C)n(C)c2ccc(O)cc12 ZINC000223761205 170124858 /nfs/dbraw/zinc/12/48/58/170124858.db2.gz CUVKPIVMKDWZQW-UHFFFAOYSA-N 1 0 218.300 2.302 40 0 BEABRO CC[NH2+]Cc1ccc(Cc2ccco2)[nH]1 ZINC000226021030 170126526 /nfs/dbraw/zinc/12/65/26/170126526.db2.gz SGPYLAYEEOMPIH-UHFFFAOYSA-N 1 0 204.273 2.308 40 0 BEABRO CC[NH2+]Cc1nc2cc(Cl)ccc2[nH]1 ZINC000022122060 170131391 /nfs/dbraw/zinc/13/13/91/170131391.db2.gz RKBWNCHOYQMZQE-UHFFFAOYSA-N 1 0 209.680 2.326 40 0 BEABRO CC[NH2+][C@H](C)C(=O)c1ccc(CC)cc1 ZINC000041608809 170157064 /nfs/dbraw/zinc/15/70/64/170157064.db2.gz FAXVCSOMTSWQNT-SNVBAGLBSA-N 1 0 205.301 2.430 40 0 in-vitro BEABRO CCOC(=O)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000005854997 170192006 /nfs/dbraw/zinc/19/20/06/170192006.db2.gz IOFIIBRTXAPWLD-UHFFFAOYSA-N 1 0 213.321 2.106 40 0 in-vitro BEABRO CCOC(=O)N1C=Cc2ccccc2[C@@H]1C(N)=[NH2+] ZINC000001698259 170239299 /nfs/dbraw/zinc/23/92/99/170239299.db2.gz JALPIUOSSNXQGO-LLVKDONJSA-N 1 0 245.282 2.106 40 0 BEABRO CCO[C@@H](C[NH2+]C)c1ccc(OC)c(OC)c1 ZINC000062711559 170478461 /nfs/dbraw/zinc/47/84/61/170478461.db2.gz LLUAIAPDXRPAHH-ZDUSSCGKSA-N 1 0 239.315 2.001 40 0 BEABRO CC[C@@H](C)c1noc([C@@H]2CCC[NH2+]C2)n1 ZINC000057340779 170808341 /nfs/dbraw/zinc/80/83/41/170808341.db2.gz LIRWVCGSRVEEHM-RKDXNWHRSA-N 1 0 209.293 2.050 40 0 BEABRO CC[C@@H]1CSC2=N[C@H](c3ccccn3)CN21 ZINC000222639366 171114807 /nfs/dbraw/zinc/11/48/07/171114807.db2.gz UYNCEWGAJVXHGO-KOLCDFICSA-N 1 0 233.340 2.320 40 0 BEABRO CC[C@H](C)[NH2+]C[C@H](C)C(=O)OC(C)(C)C ZINC000047219033 171341192 /nfs/dbraw/zinc/34/11/92/171341192.db2.gz LPQFBRZVCFPQSV-UWVGGRQHSA-N 1 0 215.337 2.352 40 0 BEABRO CC[C@H](C)[NH2+]C[C@@H](C)C(=O)OC(C)(C)C ZINC000047219031 171341224 /nfs/dbraw/zinc/34/12/24/171341224.db2.gz LPQFBRZVCFPQSV-ZJUUUORDSA-N 1 0 215.337 2.352 40 0 BEABRO CCn1c(C)c(C[NH2+]C)c2cc(O)ccc21 ZINC000223757997 172134216 /nfs/dbraw/zinc/13/42/16/172134216.db2.gz LFLPBWHQKWHDNB-UHFFFAOYSA-N 1 0 218.300 2.395 40 0 BEABRO CCn1c(C[NH2+]C)ccc1Cc1ccco1 ZINC000226021482 172145266 /nfs/dbraw/zinc/14/52/66/172145266.db2.gz IWPIHAGNEYROMG-UHFFFAOYSA-N 1 0 218.300 2.411 40 0 BEABRO CCn1cnnc1C[NH2+][C@H]1CCC[C@H](C)[C@@H]1C ZINC000097237425 172236513 /nfs/dbraw/zinc/23/65/13/172236513.db2.gz QDSVUTKYFJQKOM-SRVKXCTJSA-N 1 0 236.363 2.212 40 0 BEABRO C[NH+](C)CCOc1ccc(N)c(C(F)(F)F)c1 ZINC000014630289 172471954 /nfs/dbraw/zinc/47/19/54/172471954.db2.gz NBBKWJDWBUWKSV-UHFFFAOYSA-N 1 0 248.248 2.228 40 0 BEABRO CN(CC[C@@H]1CCC[NH2+]C1)C(=O)OC(C)(C)C ZINC000199825852 172776952 /nfs/dbraw/zinc/77/69/52/172776952.db2.gz ITIYZLUUEXVVJM-NSHDSACASA-N 1 0 242.363 2.243 40 0 BEABRO C[NH+]1CCC(c2ccc3n[nH]cc3c2)CC1 ZINC000002526942 173002339 /nfs/dbraw/zinc/00/23/39/173002339.db2.gz ZQMVGZWZVMGNTJ-UHFFFAOYSA-N 1 0 215.300 2.372 40 0 BEABRO C[N@@H+]1CCC[C@H](Cc2cncc(Cl)n2)CC1 ZINC000257240827 173041223 /nfs/dbraw/zinc/04/12/23/173041223.db2.gz HVINYWYRAUYZGI-JTQLQIEISA-N 1 0 239.750 2.404 40 0 BEABRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccccc2)C1 ZINC000009876653 173041269 /nfs/dbraw/zinc/04/12/69/173041269.db2.gz SFBVGSDVKVREGX-GFCCVEGCSA-N 1 0 247.342 2.150 40 0 BEABRO C[N@@H+]1CC[C@@H](Cc2ccnc(Cl)c2)C1 ZINC000205699862 173118040 /nfs/dbraw/zinc/11/80/40/173118040.db2.gz AKJURBGTIUHRNC-JTQLQIEISA-N 1 0 210.708 2.229 40 0 BEABRO CN1CC[C@H]([NH3+])c2cc(Cl)ccc2C1 ZINC000096509720 173148796 /nfs/dbraw/zinc/14/87/96/173148796.db2.gz XIFVNCLCMYZZAH-NSHDSACASA-N 1 0 210.708 2.175 40 0 BEABRO C[N@@H+]1CC[C@]2(CO2)c2cc(Cl)ccc2C1 ZINC000096510472 173167511 /nfs/dbraw/zinc/16/75/11/173167511.db2.gz HFRKUBWZPADPJK-LBPRGKRZSA-N 1 0 223.703 2.401 40 0 BEABRO C[NH2+]CCCNCc1ccccc1Cl ZINC000057362396 173349567 /nfs/dbraw/zinc/34/95/67/173349567.db2.gz XBTLWGWVAQBKIP-UHFFFAOYSA-N 1 0 212.724 2.039 40 0 BEABRO C[NH2+]CCN1CCC(Cc2ccccc2)CC1 ZINC000019366968 173354549 /nfs/dbraw/zinc/35/45/49/173354549.db2.gz OVCOWLKXRNBYMI-UHFFFAOYSA-N 1 0 232.371 2.161 40 0 BEABRO C[NH2+]Cc1c(C)[nH]c2ccc(OC)cc21 ZINC000082593096 173384280 /nfs/dbraw/zinc/38/42/80/173384280.db2.gz XNEBHUZAXSNKQB-UHFFFAOYSA-N 1 0 204.273 2.204 40 0 BEABRO C[NH2+]Cc1cc(-c2ccc(C)cc2)on1 ZINC000026547772 173385460 /nfs/dbraw/zinc/38/54/60/173385460.db2.gz JYGHGLDQGKSUPV-UHFFFAOYSA-N 1 0 202.257 2.369 40 0 BEABRO C[NH2+]Cc1cc(Br)c(C)o1 ZINC000085394277 173385797 /nfs/dbraw/zinc/38/57/97/173385797.db2.gz VFQBQMCNCCGKSY-UHFFFAOYSA-N 1 0 204.067 2.070 40 0 BEABRO C[NH2+]Cc1cc(C)n(C[C@@H]2CCCO2)c1C ZINC000078582729 173386312 /nfs/dbraw/zinc/38/63/12/173386312.db2.gz YCFZRPCQSQAJEJ-ZDUSSCGKSA-N 1 0 222.332 2.003 40 0 BEABRO C[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000037755459 173389132 /nfs/dbraw/zinc/38/91/32/173389132.db2.gz RQEAIKVQBAEIAN-UHFFFAOYSA-N 1 0 201.216 2.050 40 0 BEABRO COC(=O)c1cc([C@H]2CCC[NH2+]C2)ccc1F ZINC000038539422 173861887 /nfs/dbraw/zinc/86/18/87/173861887.db2.gz BTXXRWBLTXUMRS-JTQLQIEISA-N 1 0 237.274 2.079 40 0 BEABRO COC(=O)c1ccc(C2CC[NH2+]CC2)c(F)c1 ZINC000038539402 173871768 /nfs/dbraw/zinc/87/17/68/173871768.db2.gz IERHLHAKTGPWQJ-UHFFFAOYSA-N 1 0 237.274 2.079 40 0 BEABRO COCCC[NH2+]Cc1cccn1CC(C)C ZINC000223678240 174248407 /nfs/dbraw/zinc/24/84/07/174248407.db2.gz MLPXPNGTPRSONO-UHFFFAOYSA-N 1 0 224.348 2.270 40 0 BEABRO COCC[NH2+][C@@H](C)c1ccn(C(C)C)c1 ZINC000078406143 174338308 /nfs/dbraw/zinc/33/83/08/174338308.db2.gz GLPMTPDWZPYYGF-NSHDSACASA-N 1 0 210.321 2.366 40 0 BEABRO COc1cc2c(cc1OC)C[N@H+](C)[C@H](C)C2 ZINC000002034004 175024198 /nfs/dbraw/zinc/02/41/98/175024198.db2.gz FPKSKXFZCSATTG-SECBINFHSA-N 1 0 221.300 2.080 40 0 BEABRO COc1cc2c(cc1OC)[C@@H]([NH3+])CCC2 ZINC000006483884 175025241 /nfs/dbraw/zinc/02/52/41/175025241.db2.gz DYZOFLWNJVIOHA-JTQLQIEISA-N 1 0 207.273 2.040 40 0 BEABRO COc1ccc(C)cc1[C@@H]1CCC[NH2+]C1 ZINC000038539118 175079751 /nfs/dbraw/zinc/07/97/51/175079751.db2.gz ZQBFJUOUXPZOLU-LLVKDONJSA-N 1 0 205.301 2.471 40 0 BEABRO COc1ccc(C)cc1[C@H]1CCC[NH2+]C1 ZINC000038539120 175081905 /nfs/dbraw/zinc/08/19/05/175081905.db2.gz ZQBFJUOUXPZOLU-NSHDSACASA-N 1 0 205.301 2.471 40 0 BEABRO COc1ccc(C2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000037717040 175084316 /nfs/dbraw/zinc/08/43/16/175084316.db2.gz HZKFNYOVUNRRIN-UHFFFAOYSA-N 1 0 249.354 2.387 40 0 BEABRO COc1ccc(F)cc1[C@H]1CCC[NH2+]C1 ZINC000038539392 175134598 /nfs/dbraw/zinc/13/45/98/175134598.db2.gz FDFYXYUUSDQOOE-VIFPVBQESA-N 1 0 209.264 2.301 40 0 BEABRO COc1ccc(N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000145191785 175154378 /nfs/dbraw/zinc/15/43/78/175154378.db2.gz DHUWBPYQXYJHQL-CHWSQXEVSA-N 1 0 220.316 2.377 40 0 BEABRO COc1ccc(OC)c(C[NH2+]CC(C)C)c1 ZINC000019883247 175165690 /nfs/dbraw/zinc/16/56/90/175165690.db2.gz LVKFOHKOLDEHBM-UHFFFAOYSA-N 1 0 223.316 2.449 40 0 BEABRO COc1ccc([C@@H](C)N[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000218886802 175177259 /nfs/dbraw/zinc/17/72/59/175177259.db2.gz GFXBIRRVJPEUAA-DDTOSNHZSA-N 1 0 234.343 2.226 40 0 BEABRO COc1ccc([C@H]2CCC[NH2+]C2)cc1F ZINC000038539161 175194289 /nfs/dbraw/zinc/19/42/89/175194289.db2.gz BHMIZWOGDWEVOB-JTQLQIEISA-N 1 0 209.264 2.301 40 0 BEABRO COc1ccc([C@H]2[NH2+]C(C)(C)CO2)cc1 ZINC000001690878 175197818 /nfs/dbraw/zinc/19/78/18/175197818.db2.gz ZZDYHBPPVMOWFG-NSHDSACASA-N 1 0 207.273 2.092 40 0 BEABRO COc1cccc(-c2noc([C@H]3CCC[NH2+]3)n2)c1 ZINC000035318031 175238677 /nfs/dbraw/zinc/23/86/77/175238677.db2.gz BSSXKELSYVNJAA-LLVKDONJSA-N 1 0 245.282 2.170 40 0 BEABRO COc1cccc(C)c1[C@@H](O)C[C@H]1CCC[NH2+]1 ZINC000001569338 175248464 /nfs/dbraw/zinc/24/84/64/175248464.db2.gz MNGMPKYYSAWCQH-NEPJUHHUSA-N 1 0 235.327 2.179 40 0 BEABRO COc1cccc(C[NH2+]Cc2cn(C)nc2C)c1 ZINC000002536052 175265593 /nfs/dbraw/zinc/26/55/93/175265593.db2.gz GFQYIGOEMZQTGQ-UHFFFAOYSA-N 1 0 245.326 2.027 40 0 BEABRO COc1cccc(N[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000218858169 175279846 /nfs/dbraw/zinc/27/98/46/175279846.db2.gz INOKVFDNRAAAPG-QWHCGFSZSA-N 1 0 220.316 2.377 40 0 BEABRO COc1cccc(OC)c1C1CC[NH2+]CC1 ZINC000079025741 175281590 /nfs/dbraw/zinc/28/15/90/175281590.db2.gz LMKQRIHGRDOJEA-UHFFFAOYSA-N 1 0 221.300 2.171 40 0 BEABRO COc1cccc([C@@H]2CCC[NH2+]C2)c1F ZINC000038539366 175290221 /nfs/dbraw/zinc/29/02/21/175290221.db2.gz OYSAFOLZYIOWIQ-SECBINFHSA-N 1 0 209.264 2.301 40 0 BEABRO COc1cccc([C@H](CO)[NH+]2CCCCC2)c1 ZINC000041265845 175293889 /nfs/dbraw/zinc/29/38/89/175293889.db2.gz HZKUDPSCWJQPEC-AWEZNQCLSA-N 1 0 235.327 2.215 40 0 BEABRO COc1cccc2c(NCCC[NH3+])ccnc12 ZINC000212770039 175299832 /nfs/dbraw/zinc/29/98/32/175299832.db2.gz UZUOKJIPBRIFQY-UHFFFAOYSA-N 1 0 231.299 2.004 40 0 BEABRO COc1ccccc1-c1nc(C[NH3+])c(C)o1 ZINC000041231011 175310950 /nfs/dbraw/zinc/31/09/50/175310950.db2.gz OOQBSCBXBQKZON-UHFFFAOYSA-N 1 0 218.256 2.117 40 0 BEABRO COc1ccccc1-c1nnc([C@H]2CCC[NH2+]2)o1 ZINC000032102017 175311854 /nfs/dbraw/zinc/31/18/54/175311854.db2.gz APOUTMYOUATGKW-SNVBAGLBSA-N 1 0 245.282 2.170 40 0 BEABRO COc1ccccc1CN1CCCC[C@H]1C[NH3+] ZINC000044421395 175326958 /nfs/dbraw/zinc/32/69/58/175326958.db2.gz VZEUTLYGXODXCP-ZDUSSCGKSA-N 1 0 234.343 2.008 40 0 BEABRO COc1ccccc1[C@H](CO)[NH+]1CCCCC1 ZINC000041265837 175353324 /nfs/dbraw/zinc/35/33/24/175353324.db2.gz MNKBSRJRBAODSB-ZDUSSCGKSA-N 1 0 235.327 2.215 40 0 BEABRO C[C@@H](C[NH2+]C1CCCC1)C(=O)OC(C)(C)C ZINC000047219132 175730265 /nfs/dbraw/zinc/73/02/65/175730265.db2.gz HKHKVMSWNAZYCV-JTQLQIEISA-N 1 0 227.348 2.496 40 0 BEABRO C[C@@H]1CC(C)(C)[NH2+][C@@H]([C@@H]2CCC=CO2)O1 ZINC000004803877 176052746 /nfs/dbraw/zinc/05/27/46/176052746.db2.gz WEKSFFIEUWLTHJ-OUAUKWLOSA-N 1 0 211.305 2.182 40 0 BEABRO C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1C[NH3+] ZINC000261507407 176252725 /nfs/dbraw/zinc/25/27/25/176252725.db2.gz IDRNXYCTWDYUQX-GHMZBOCLSA-N 1 0 242.363 2.228 40 0 BEABRO C[C@@H]1CN(Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC000068692365 176303715 /nfs/dbraw/zinc/30/37/15/176303715.db2.gz BVFGCQJZABXITQ-SNVBAGLBSA-N 1 0 224.735 2.134 40 0 BEABRO C[C@@H]1C[NH2+]CC[C@@]1(C)c1cccc(O)c1 ZINC000034369930 176327604 /nfs/dbraw/zinc/32/76/04/176327604.db2.gz HXZDAOSDNCHKFE-ZWNOBZJWSA-N 1 0 205.301 2.279 40 0 BEABRO C[C@H]([NH3+])COCc1cccc(OC(F)F)c1 ZINC000089262727 176760739 /nfs/dbraw/zinc/76/07/39/176760739.db2.gz AOHRQOMMFIHKBN-QMMMGPOBSA-N 1 0 231.242 2.152 40 0 BEABRO C[C@H]1C[NH2+]CCN1Cc1ccc(F)c(Cl)c1 ZINC000067800294 177283586 /nfs/dbraw/zinc/28/35/86/177283586.db2.gz YAAQPLCLWDUYON-VIFPVBQESA-N 1 0 242.725 2.273 40 0 BEABRO C[C@H]1C[NH2+]CCN1Cc1ccc(Cl)cc1 ZINC000041245330 177283722 /nfs/dbraw/zinc/28/37/22/177283722.db2.gz HBRBKPUWPAQEHC-JTQLQIEISA-N 1 0 224.735 2.134 40 0 BEABRO C[C@H]1C[C@H](C)C[NH+](C[C@H](O)COC(C)(C)C)C1 ZINC000007636313 177359161 /nfs/dbraw/zinc/35/91/61/177359161.db2.gz ZBIFCFISTMMDTM-AVGNSLFASA-N 1 0 243.391 2.140 40 0 BEABRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@]1(O)c1ccccc1 ZINC000003901849 177386900 /nfs/dbraw/zinc/38/69/00/177386900.db2.gz CTKBMLDLEZVLNP-MBNYWOFBSA-N 1 0 219.328 2.234 40 0 BEABRO C[C@H]1C[C@H]2C[N@H+](Cc3ccoc3)CC[C@@H]2O1 ZINC000096045892 177387322 /nfs/dbraw/zinc/38/73/22/177387322.db2.gz KALWPCOXOMEFGQ-DRZSPHRISA-N 1 0 221.300 2.279 40 0 BEABRO CC[C@@H]([NH3+])[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000072208945 262721775 /nfs/dbraw/zinc/72/17/75/262721775.db2.gz ITYCDWJGFHHPIF-ZJUUUORDSA-N 1 0 230.352 2.273 40 0 BEABRO Clc1cccc(CNC[C@H]2CCC[NH2+]2)c1 ZINC000072202837 487994604 /nfs/dbraw/zinc/99/46/04/487994604.db2.gz PMTRXXSTDJNHED-GFCCVEGCSA-N 1 0 224.735 2.182 40 0 BEABRO C[C@@H]1C[C@@H]2CC[N@H+](Cc3ccncc3)C[C@H]2O1 ZINC000096070659 490360439 /nfs/dbraw/zinc/36/04/39/490360439.db2.gz WODREFHSOGYAAV-KWCYVHTRSA-N 1 0 232.327 2.081 40 0 BEABRO CCn1cc(C[NH2+]Cc2ccccc2OC)cn1 ZINC000020349192 523385740 /nfs/dbraw/zinc/38/57/40/523385740.db2.gz MRBORRFCOSSTSU-UHFFFAOYSA-N 1 0 245.326 2.201 40 0 BEABRO CN(N)c1ccc(C(Cl)(Cl)Cl)c[nH+]1 ZINC000199545453 523621401 /nfs/dbraw/zinc/62/14/01/523621401.db2.gz SPCJNWKQRDALOG-UHFFFAOYSA-N 1 0 240.521 2.218 40 0 BEABRO COCC[NH2+]Cc1cccn1Cc1ccccc1 ZINC000035293077 523956071 /nfs/dbraw/zinc/95/60/71/523956071.db2.gz JRESUJPSIDZELW-UHFFFAOYSA-N 1 0 244.338 2.272 40 0 BEABRO C[C@@H]1CO[C@@H]2C[C@H](C(F)(F)F)C[C@@H](C[NH3+])[C@@H]21 ZINC000242687533 525157748 /nfs/dbraw/zinc/15/77/48/525157748.db2.gz ULMGXBABGMHAEG-ZOZBQHSOSA-N 1 0 237.265 2.185 40 0 BEABRO C[C@@H]1C[C@H]2[C@@H](C[C@@H](C(F)(F)F)C[C@H]2[NH3+])O1 ZINC000252528001 525512855 /nfs/dbraw/zinc/51/28/55/525512855.db2.gz DXOFCJWXXLMFIJ-ANZWQOBJSA-N 1 0 223.238 2.080 40 0 BEABRO C[C@@H]1O[C@H](CC[NH3+])C[C@@H]1Cc1ccccc1 ZINC000225750409 525604315 /nfs/dbraw/zinc/60/43/15/525604315.db2.gz SKEWEKXQTREGSI-FPMFFAJLSA-N 1 0 219.328 2.372 40 0 BEABRO NC(=[NH2+])c1cc(Cl)ccc1Br ZINC000084194148 526820677 /nfs/dbraw/zinc/82/06/77/526820677.db2.gz QENCBYSHQHHSSU-UHFFFAOYSA-N 1 0 233.496 2.387 40 0 BEABRO Nc1c(Br)c[nH+]cc1NC1CC1 ZINC000225742576 527425004 /nfs/dbraw/zinc/42/50/04/527425004.db2.gz MPHWDZGBPBGECZ-UHFFFAOYSA-N 1 0 228.093 2.001 40 0 BEABRO COc1ccc([C@@H]2C[C@H]2[C@@H](C)[NH3+])cc1OC ZINC000020392397 583161462 /nfs/dbraw/zinc/16/14/62/583161462.db2.gz HYRHCZXUDHOWNL-MIMYLULJSA-N 1 0 221.300 2.155 40 0 BEABRO CC(C)(C)OC(=O)NC12CC(C[NH3+])(C1)CCC2 ZINC000575623970 1168340690 /nfs/dbraw/zinc/34/06/90/1168340690.db2.gz CNVRDMLGZPCSSQ-UHFFFAOYSA-N 1 0 240.347 2.173 40 0 BEABRO CC[N@@H+]1CCC[C@@H](c2[nH]nc3ncccc32)C1 ZINC000072350738 343979547 /nfs/dbraw/zinc/97/95/47/343979547.db2.gz XGVCVIVWTFWOGF-SNVBAGLBSA-N 1 0 230.315 2.157 40 0 BEABRO Cc1cc(C[N@@H+]2CC[C@H](O)C2)ccc1Cl ZINC000038538886 178002616 /nfs/dbraw/zinc/00/26/16/178002616.db2.gz ZDMRHYGDMJRQCS-NSHDSACASA-N 1 0 225.719 2.215 40 0 BEABRO Cc1cc(Cl)ccc1CN1CC[C@@H]([NH3+])C1 ZINC000096311761 178066239 /nfs/dbraw/zinc/06/62/39/178066239.db2.gz NOSQVLMKKZMQKX-GFCCVEGCSA-N 1 0 224.735 2.181 40 0 BEABRO Cc1cc(F)ccc1N[C@@H]1CCC[C@H]1[NH3+] ZINC000218881949 178091010 /nfs/dbraw/zinc/09/10/10/178091010.db2.gz HLUPJSZLMCWPKH-ZYHUDNBSSA-N 1 0 208.280 2.426 40 0 BEABRO Cc1cc(NCCCCCC[NH3+])nc(C)n1 ZINC000008731058 178158705 /nfs/dbraw/zinc/15/87/05/178158705.db2.gz SHIFDKWINBRMAD-UHFFFAOYSA-N 1 0 222.336 2.024 40 0 BEABRO Cc1cc(NCCC[NH3+])c2cccc(F)c2n1 ZINC000222686708 178159307 /nfs/dbraw/zinc/15/93/07/178159307.db2.gz DTTMPOKZEDHKQB-UHFFFAOYSA-N 1 0 233.290 2.443 40 0 BEABRO Cc1cc(OC[C@H]2CC[NH2+]C2)ccc1F ZINC000038580904 178211797 /nfs/dbraw/zinc/21/17/97/178211797.db2.gz ZUYCEFMLBCWKPW-JTQLQIEISA-N 1 0 209.264 2.122 40 0 BEABRO Cc1cc(OC[C@@H]2CC[NH2+]C2)ccc1F ZINC000038580903 178212123 /nfs/dbraw/zinc/21/21/23/178212123.db2.gz ZUYCEFMLBCWKPW-SNVBAGLBSA-N 1 0 209.264 2.122 40 0 BEABRO CC[C@H]1CN(C(=O)OCc2ccccc2)CC[NH2+]1 ZINC000015022051 343995462 /nfs/dbraw/zinc/99/54/62/343995462.db2.gz QTRLCDJCCBXKQC-ZDUSSCGKSA-N 1 0 248.326 2.007 40 0 BEABRO Cc1ccc(-c2cc(C3C[NH2+]C3)nc(C)n2)cc1 ZINC000257282768 178320171 /nfs/dbraw/zinc/32/01/71/178320171.db2.gz OVEZTPBKUQODDW-UHFFFAOYSA-N 1 0 239.322 2.447 40 0 BEABRO Cc1ccc(-n2cccc2[C@H](C[NH3+])N(C)C)cc1 ZINC000019795647 178347001 /nfs/dbraw/zinc/34/70/01/178347001.db2.gz GVYFUQYXVRJSPF-HNNXBMFYSA-N 1 0 243.354 2.347 40 0 BEABRO Cc1ccccc1[C@@](C)(CO)[NH+]1CCCC1 ZINC000070453404 259313812 /nfs/dbraw/zinc/31/38/12/259313812.db2.gz DHTJXKYDYAABLI-CQSZACIVSA-N 1 0 219.328 2.298 40 0 BEABRO CC(C)(C)OC(=O)N1CCCCC12CC([NH3+])C2 ZINC000199440499 398273394 /nfs/dbraw/zinc/27/33/94/398273394.db2.gz HZLHQMOMDMUQQG-UHFFFAOYSA-N 1 0 240.347 2.267 40 0 BEABRO C[N@@H+]1CCCC[C@@H]1CCNC(=O)c1ccccc1 ZINC000205672029 398273617 /nfs/dbraw/zinc/27/36/17/398273617.db2.gz DTUZNDGIQVNSLL-CQSZACIVSA-N 1 0 246.354 2.291 40 0 BEABRO CN1CCC(C)([NH2+]Cc2ccccc2)CC1 ZINC000072210169 259316630 /nfs/dbraw/zinc/31/66/30/259316630.db2.gz KLKNBHJUFAHFAA-UHFFFAOYSA-N 1 0 218.344 2.261 40 0 BEABRO CC(C)[N@@H+]1CCC[C@H]1c1ccc(=O)[nH]c1 ZINC000072212256 259317618 /nfs/dbraw/zinc/31/76/18/259317618.db2.gz GZYHPKZQODSIQD-NSHDSACASA-N 1 0 206.289 2.333 40 0 BEABRO CSc1n[n+](-c2ccccc2)cs1 ZINC000001703386 342710157 /nfs/dbraw/zinc/71/01/57/342710157.db2.gz MBYCVAZYJGAYOE-UHFFFAOYSA-N 1 0 209.319 2.142 40 0 BEABRO CSc1nc(-c2ccccc2)cc(NN)[nH+]1 ZINC000005641052 342767461 /nfs/dbraw/zinc/76/74/61/342767461.db2.gz SRWLBJCEMIYBSR-UHFFFAOYSA-N 1 0 232.312 2.151 40 0 BEABRO CC(C)(C)[NH2+]Cc1[nH]nnc1-c1ccccc1 ZINC000006262571 342775457 /nfs/dbraw/zinc/77/54/57/342775457.db2.gz HCNHGGUUNTUOHY-UHFFFAOYSA-N 1 0 230.315 2.360 40 0 BEABRO [NH3+][C@H]1CCCc2cc(Cl)ccc2[C@H]1O ZINC000008699465 342802630 /nfs/dbraw/zinc/80/26/30/342802630.db2.gz VVEBJLSVIQAOJM-WDEREUQCSA-N 1 0 211.692 2.037 40 0 BEABRO Cc1cc(C)c2nc(C3CC[NH2+]CC3)[nH]c2n1 ZINC000072220884 259319610 /nfs/dbraw/zinc/31/96/10/259319610.db2.gz WVFODEVWWHDQPU-UHFFFAOYSA-N 1 0 230.315 2.042 40 0 BEABRO C[NH2+]Cc1cnc(N2CCCCC2)cc1C ZINC000072223510 259321576 /nfs/dbraw/zinc/32/15/76/259321576.db2.gz UHBYKHGHGOVTBN-UHFFFAOYSA-N 1 0 219.332 2.100 40 0 BEABRO Cc1cc(=O)[nH]cc1[C@@H]([NH3+])c1ccccc1 ZINC000072223768 259321606 /nfs/dbraw/zinc/32/16/06/259321606.db2.gz NZALABKEVQOPQX-ZDUSSCGKSA-N 1 0 214.268 2.144 40 0 BEABRO CN(C)c1ccc([C@H]([NH3+])c2ccccc2)cn1 ZINC000072225151 259322164 /nfs/dbraw/zinc/32/21/64/259322164.db2.gz FQNGSQVZLMMCEX-CQSZACIVSA-N 1 0 227.311 2.196 40 0 BEABRO CCn1c2ncccc2nc1[C@H]([NH3+])C(C)C ZINC000082583490 259323448 /nfs/dbraw/zinc/32/34/48/259323448.db2.gz FJQUKYJWRRCPLH-SNVBAGLBSA-N 1 0 218.304 2.107 40 0 BEABRO Fc1ccc(-c2nnc([C@@H]3CCC[NH2+]3)[nH]2)cc1 ZINC000012114027 342846817 /nfs/dbraw/zinc/84/68/17/342846817.db2.gz WDPPEBUDKVVXTC-JTQLQIEISA-N 1 0 232.262 2.035 40 0 BEABRO CC[NH2+]Cc1cn(Cc2ccccc2)cn1 ZINC000233524981 342871480 /nfs/dbraw/zinc/87/14/80/342871480.db2.gz SFCJLGWVQUVOTP-UHFFFAOYSA-N 1 0 215.300 2.041 40 0 BEABRO Cc1c[nH+]c(NCc2ccco2)c(N)c1 ZINC000036226353 342898657 /nfs/dbraw/zinc/89/86/57/342898657.db2.gz FZVSUQWUOSGITP-UHFFFAOYSA-N 1 0 203.245 2.177 40 0 BEABRO c1cncc(N2CC[C@]3(C2)CC2CC[NH+]3CC2)c1 ZINC000003937374 398327374 /nfs/dbraw/zinc/32/73/74/398327374.db2.gz RHQJWLPJMQCJOF-OAHLLOKOSA-N 1 0 243.354 2.146 40 0 BEABRO CCCCC[N@@H+]1CCN[C@@H]2CCCC[C@H]21 ZINC000218827961 398328674 /nfs/dbraw/zinc/32/86/74/398328674.db2.gz VUAWENVOQGLHJL-CHWSQXEVSA-N 1 0 210.365 2.393 40 0 BEABRO CC(C)CCn1cc([C@H]([NH3+])C2CC2)cn1 ZINC000095093957 346896152 /nfs/dbraw/zinc/89/61/52/346896152.db2.gz AHQVJPVUWDWGQH-GFCCVEGCSA-N 1 0 207.321 2.339 40 0 BEABRO [NH3+]C1(c2ccncc2C(F)(F)F)CC1 ZINC000095094339 346899371 /nfs/dbraw/zinc/89/93/71/346899371.db2.gz CLHZJJRAZLTUJM-UHFFFAOYSA-N 1 0 202.179 2.048 40 0 BEABRO COC(=O)[C@@H](C(C)C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022123341 343040455 /nfs/dbraw/zinc/04/04/55/343040455.db2.gz XGODMWPEWRNOJL-GRYCIOLGSA-N 1 0 227.348 2.162 40 0 BEABRO Nc1c[nH+]cc(Br)c1NC1CC1 ZINC000042750176 362021963 /nfs/dbraw/zinc/02/19/63/362021963.db2.gz WGRQPFARKQZWGE-UHFFFAOYSA-N 1 0 228.093 2.001 40 0 BEABRO CCC1(CC)CCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000094802154 343157086 /nfs/dbraw/zinc/15/70/86/343157086.db2.gz XBDYXOBDAPECAY-CYBMUJFWSA-N 1 0 238.375 2.167 40 0 BEABRO CC(C)(C)[NH2+]CCC(=O)OC(C)(C)C ZINC000034200226 343266479 /nfs/dbraw/zinc/26/64/79/343266479.db2.gz CLWNYQKQEKJXDD-UHFFFAOYSA-N 1 0 201.310 2.106 40 0 BEABRO C[C@@H](C[NH3+])c1ccccc1OC(F)F ZINC000037245656 343340945 /nfs/dbraw/zinc/34/09/45/343340945.db2.gz VMHWBKCGBFBOQU-ZETCQYMHSA-N 1 0 201.216 2.350 40 0 BEABRO CCCCCC[NH2+]CCC(=O)OCC ZINC000044288524 343497274 /nfs/dbraw/zinc/49/72/74/343497274.db2.gz YHFLDPKUDZNORT-UHFFFAOYSA-N 1 0 201.310 2.110 40 0 BEABRO CCCCC[NH2+]CCC(=O)OC(C)(C)C ZINC000047218965 343559077 /nfs/dbraw/zinc/55/90/77/343559077.db2.gz IPARCAWZVQLVLH-UHFFFAOYSA-N 1 0 215.337 2.498 40 0 BEABRO CCCC[C@H](CC)C[N@@H+]1CCNC[C@@H]1C ZINC000054374673 343658214 /nfs/dbraw/zinc/65/82/14/343658214.db2.gz CTEYDSHQPCHLCV-STQMWFEESA-N 1 0 212.381 2.497 40 0 BEABRO C[C@H](C1CC1)n1cc2c(n1)C[C@H]1CC[C@@H]2[NH2+]1 ZINC000096510250 343756009 /nfs/dbraw/zinc/75/60/09/343756009.db2.gz VDOFOLSTKIOEDA-UISBYWKRSA-N 1 0 217.316 2.203 40 0 BEABRO C[C@@H]1C[C@@]1(C[NH3+])[C@H](O)c1cccc(Cl)c1 ZINC000096527188 343760017 /nfs/dbraw/zinc/76/00/17/343760017.db2.gz XBJANVHKFVLHTL-FXAINCCUSA-N 1 0 225.719 2.358 40 0 BEABRO COc1cc2[nH+]c(C)c(C)c(N)c2cc1OC ZINC000050870090 259372092 /nfs/dbraw/zinc/37/20/92/259372092.db2.gz GZBZWHZAPXTCLV-UHFFFAOYSA-N 1 0 232.283 2.451 40 0 BEABRO C[NH2+]C[C@@H]1C[C@H]1c1ccc(OC)cc1OC ZINC000054588575 259374147 /nfs/dbraw/zinc/37/41/47/259374147.db2.gz FKZTUXUPAFVPSV-JOYOIKCWSA-N 1 0 221.300 2.027 40 0 BEABRO C[NH2+]C[C@H]1C[C@H]1c1ccc(OC)cc1OC ZINC000054588577 259374160 /nfs/dbraw/zinc/37/41/60/259374160.db2.gz FKZTUXUPAFVPSV-BXKDBHETSA-N 1 0 221.300 2.027 40 0 BEABRO CCc1nc(C)cc(NCCCCCC[NH3+])n1 ZINC000008731063 344243976 /nfs/dbraw/zinc/24/39/76/344243976.db2.gz KQTZAXADHKWYOB-UHFFFAOYSA-N 1 0 236.363 2.278 40 0 BEABRO Cc1ccc([C@H](N)C[NH+]2CCCC2)cc1 ZINC000019257811 344331406 /nfs/dbraw/zinc/33/14/06/344331406.db2.gz GCQBSMRUMWJULF-CYBMUJFWSA-N 1 0 204.317 2.091 40 0 BEABRO CO[C@@]1(COc2ccccc2C)CCC[NH2+]C1 ZINC000585274793 344396952 /nfs/dbraw/zinc/39/69/52/344396952.db2.gz OCBNHEIGMQEHMQ-AWEZNQCLSA-N 1 0 235.327 2.142 40 0 BEABRO Nc1cccc(C2=[NH+][C@H]3C=CC=C[C@@H]3N=C2)c1 ZINC000000169284 344587207 /nfs/dbraw/zinc/58/72/07/344587207.db2.gz NXWUUVBGDHHZDU-STQMWFEESA-N 1 0 223.279 2.006 40 0 BEABRO CC(C)([NH3+])CCNC(=O)OCc1ccccc1 ZINC000039952294 344730508 /nfs/dbraw/zinc/73/05/08/344730508.db2.gz MENRFDHNUIYLTD-UHFFFAOYSA-N 1 0 236.315 2.040 40 0 BEABRO Cc1ccc(N[C@@H]2CCC[C@H]2[NH3+])c(F)c1 ZINC000218884617 178772245 /nfs/dbraw/zinc/77/22/45/178772245.db2.gz BWUPPTTVUKAZBA-ZYHUDNBSSA-N 1 0 208.280 2.426 40 0 BEABRO Cc1cccc(C[N@@H+]2CCC[C@@H](O)C2)c1C ZINC000038539500 179073271 /nfs/dbraw/zinc/07/32/71/179073271.db2.gz AKTVBDGSHBIDJU-CQSZACIVSA-N 1 0 219.328 2.260 40 0 BEABRO Cc1cccc(CN2CCC[C@@H]([NH3+])C2)c1F ZINC000038539598 179074309 /nfs/dbraw/zinc/07/43/09/179074309.db2.gz ZRFKQTPJSIHGOZ-GFCCVEGCSA-N 1 0 222.307 2.057 40 0 BEABRO Cc1ccc(C)c(C(=O)CC[NH+](C)C)c1 ZINC000001591169 346450752 /nfs/dbraw/zinc/45/07/52/346450752.db2.gz SHYWLEIVOAVMQF-UHFFFAOYSA-N 1 0 205.301 2.438 40 0 BEABRO C[C@H]([NH2+][C@H]1CCC[C@@H]1O)c1ccccc1 ZINC000006437471 346649488 /nfs/dbraw/zinc/64/94/88/346649488.db2.gz XRTOQDRFDAUSLY-DRZSPHRISA-N 1 0 205.301 2.251 40 0 BEABRO CN(C)c1cc[n+](C(F)(F)[Si](C)(C)C)cc1 ZINC000205284440 346671954 /nfs/dbraw/zinc/67/19/54/346671954.db2.gz KXSITVUIOBSYLL-UHFFFAOYSA-N 1 0 245.369 2.467 40 0 BEABRO CCCn1c2ccccc2nc1CCC[NH3+] ZINC000019734032 347268868 /nfs/dbraw/zinc/26/88/68/347268868.db2.gz QDLJJUUTWNMMQL-UHFFFAOYSA-N 1 0 217.316 2.338 40 0 BEABRO Cc1ccccc1[C@H](C[NH3+])N1C[C@@H](C)O[C@H](C)C1 ZINC000022163980 179342436 /nfs/dbraw/zinc/34/24/36/179342436.db2.gz KUIMRTKOXCKTBR-NFAWXSAZSA-N 1 0 248.370 2.104 40 0 BEABRO CNc1nc([C@H]2CCCC[NH2+]2)cn2cccc12 ZINC000205687002 348575011 /nfs/dbraw/zinc/57/50/11/348575011.db2.gz LNLXNWJISTXQGE-SNVBAGLBSA-N 1 0 230.315 2.191 40 0 BEABRO Cc1nc([C@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)sc1C ZINC000306137776 180058154 /nfs/dbraw/zinc/05/81/54/180058154.db2.gz RGBPZNVWJIBOCA-HBNTYKKESA-N 1 0 238.356 2.199 40 0 BEABRO Cc1nc2ccccc2n1C[C@@H]1CCC[NH2+]C1 ZINC000043472083 180102953 /nfs/dbraw/zinc/10/29/53/180102953.db2.gz ZBFZJBXGSRCXMM-GFCCVEGCSA-N 1 0 229.327 2.344 40 0 BEABRO CC[N@@H+]1CCC[C@H](Oc2ccccc2N)C1 ZINC000020351894 350491169 /nfs/dbraw/zinc/49/11/69/350491169.db2.gz PYOLIBDAFLUYTO-NSHDSACASA-N 1 0 220.316 2.132 40 0 BEABRO C[n+]1ccccc1/C=C\c1ccc(O)cc1 ZINC000004567017 191119704 /nfs/dbraw/zinc/11/97/04/191119704.db2.gz WLHKMTNVCBYKQU-UHFFFAOYSA-O 1 0 212.272 2.387 40 0 BEABRO CCN(CC)CC[NH2+]Cc1ccc(F)cc1 ZINC000019919128 350851838 /nfs/dbraw/zinc/85/18/38/350851838.db2.gz OIZOMDRDTYFBKQ-UHFFFAOYSA-N 1 0 224.323 2.257 40 0 BEABRO CCN(CC)CC[NH2+]Cc1ccccc1C ZINC000019919162 350852126 /nfs/dbraw/zinc/85/21/26/350852126.db2.gz RNZZHANTVNKISX-UHFFFAOYSA-N 1 0 220.360 2.426 40 0 BEABRO C[NH2+]C[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000256050829 351033769 /nfs/dbraw/zinc/03/37/69/351033769.db2.gz GQOXRGPBNSWUJQ-QWRGUYRKSA-N 1 0 242.363 2.241 40 0 BEABRO Clc1ncc(CO[C@@H]2CCC[NH2+]C2)s1 ZINC000043220443 363151419 /nfs/dbraw/zinc/15/14/19/363151419.db2.gz KXZQJGGCKQYZDO-SSDOTTSWSA-N 1 0 232.736 2.065 40 0 BEABRO c1csc(-c2nnc([C@@H]3CCC[NH2+]3)o2)c1 ZINC000032013847 352735400 /nfs/dbraw/zinc/73/54/00/352735400.db2.gz DMWCSJHGMWSKQJ-ZETCQYMHSA-N 1 0 221.285 2.223 40 0 BEABRO Cn1nc(C2CC[NH2+]CC2)c2cc(F)ccc21 ZINC000079033411 180805195 /nfs/dbraw/zinc/80/51/95/180805195.db2.gz FXKACEZAVFYQDH-UHFFFAOYSA-N 1 0 233.290 2.179 40 0 BEABRO C[n+]1ccccc1/C=C/c1ccc2c(c1)OCO2 ZINC000016998601 188107193 /nfs/dbraw/zinc/10/71/93/188107193.db2.gz SAMYKKNOQGZCCG-FNORWQNLSA-N 1 0 240.282 2.410 40 0 BEABRO CC(C)[N@H+](CCO)Cc1nccc2ccccc21 ZINC000079422044 188118188 /nfs/dbraw/zinc/11/81/88/188118188.db2.gz RILPRCNHSYKDIO-UHFFFAOYSA-N 1 0 244.338 2.438 40 0 BEABRO CC(C)(C)c1nnc([C@@H]([NH3+])Cc2ccccc2)[nH]1 ZINC000095534903 188146294 /nfs/dbraw/zinc/14/62/94/188146294.db2.gz ZOYWGKMIZAKMAP-NSHDSACASA-N 1 0 244.342 2.345 40 0 BEABRO C1C[C@H]2NCC[N@@H+](C3CCCCC3)[C@@H]2C1 ZINC000218851381 188179568 /nfs/dbraw/zinc/17/95/68/188179568.db2.gz GHGZLQZVXKLYNC-CHWSQXEVSA-N 1 0 208.349 2.145 40 0 BEABRO CC(C)[C@@H]1[N@H+](Cc2cncnc2)CC1(C)C ZINC000294078934 188213261 /nfs/dbraw/zinc/21/32/61/188213261.db2.gz YXBWVTSVXBCLHS-LBPRGKRZSA-N 1 0 219.332 2.343 40 0 BEABRO FCCn1cc(C[NH2+]Cc2ccccc2)cn1 ZINC000256053686 180937796 /nfs/dbraw/zinc/93/77/96/180937796.db2.gz SKHIDTUIZIMZPK-UHFFFAOYSA-N 1 0 233.290 2.142 40 0 BEABRO Fc1ccccc1-c1nnc([C@@H]2CCC[NH2+]C2)o1 ZINC000032102798 181009332 /nfs/dbraw/zinc/00/93/32/181009332.db2.gz SOMLLHTWKDKVKX-SECBINFHSA-N 1 0 247.273 2.343 40 0 BEABRO NC(=[NH2+])Cc1ccc(F)cc1Br ZINC000019423937 181187668 /nfs/dbraw/zinc/18/76/68/181187668.db2.gz BBVLBFBQYBXLJS-UHFFFAOYSA-N 1 0 231.068 2.067 40 0 BEABRO NC(=[NH2+])SCCCOc1ccccc1 ZINC000003634850 181191973 /nfs/dbraw/zinc/19/19/73/181191973.db2.gz WYUYEHUKTWIGQA-UHFFFAOYSA-N 1 0 210.302 2.082 40 0 BEABRO Nc1ccc(C(=[NH2+])c2ccc(N)cc2)cc1 ZINC000001688117 181206790 /nfs/dbraw/zinc/20/67/90/181206790.db2.gz XGDKPTLPDOUVNF-UHFFFAOYSA-N 1 0 211.268 2.267 40 0 BEABRO [NH2+]=C1CCCN1C[C@@H](O)c1ccc(Cl)cc1 ZINC000026506914 181206308 /nfs/dbraw/zinc/20/63/08/181206308.db2.gz FKJNPJSKYNGTLZ-LLVKDONJSA-N 1 0 238.718 2.446 40 0 BEABRO C[C@H](c1ccccc1)N1C[C@H]2CC[NH2+]C[C@H]21 ZINC000035080320 355797228 /nfs/dbraw/zinc/79/72/28/355797228.db2.gz NGNQCJGKLHCSKU-MRVWCRGKSA-N 1 0 216.328 2.041 40 0 BEABRO C[C@H]1c2ccccc2OCC[N@H+]1CC1(C)COC1 ZINC000608561342 355858805 /nfs/dbraw/zinc/85/88/05/355858805.db2.gz GUNAHLHMKVMCND-LBPRGKRZSA-N 1 0 247.338 2.479 40 0 BEABRO C1C[C@@H](c2nc(C3CCCCC3)no2)C[NH2+]1 ZINC000062119630 191910766 /nfs/dbraw/zinc/91/07/66/191910766.db2.gz YDEMCTMALQKFEI-SNVBAGLBSA-N 1 0 221.304 2.194 40 0 BEABRO Cc1[nH]nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000026461039 363535842 /nfs/dbraw/zinc/53/58/42/363535842.db2.gz RZSLOJMDEPXRTO-UHFFFAOYSA-N 1 0 227.311 2.276 40 0 BEABRO Clc1ccc(COC[C@H]2CCC[NH2+]C2)cn1 ZINC000040434926 357022798 /nfs/dbraw/zinc/02/27/98/357022798.db2.gz MIMOJGOVRFUORH-JTQLQIEISA-N 1 0 240.734 2.251 40 0 BEABRO CCOc1ccc(-c2cc(C[NH3+])no2)cc1 ZINC000040175383 357208893 /nfs/dbraw/zinc/20/88/93/357208893.db2.gz RKYDMGAVBBXGRS-UHFFFAOYSA-N 1 0 218.256 2.199 40 0 BEABRO CCOc1ccc(C[NH2+]Cc2cnn(C)c2)cc1 ZINC000041158519 357333024 /nfs/dbraw/zinc/33/30/24/357333024.db2.gz BPFHZZSILVUICI-UHFFFAOYSA-N 1 0 245.326 2.109 40 0 BEABRO Cc1c(C[NH2+]Cc2cccc(F)c2)cnn1C ZINC000020349169 357339469 /nfs/dbraw/zinc/33/94/69/357339469.db2.gz CKBPCBLHVRGPMS-UHFFFAOYSA-N 1 0 233.290 2.157 40 0 BEABRO CC(C)c1ccc([C@@H]2C[NH2+]C[C@H]2CO)cc1 ZINC000396889099 357871194 /nfs/dbraw/zinc/87/11/94/357871194.db2.gz WPBFLTJXKXQYSU-KBPBESRZSA-N 1 0 219.328 2.105 40 0 BEABRO CCCn1c(C[NH2+]C)nc2ccccc21 ZINC000036895944 359691608 /nfs/dbraw/zinc/69/16/08/359691608.db2.gz RZSXLLHHXDXZSB-UHFFFAOYSA-N 1 0 203.289 2.166 40 0 BEABRO Fc1cccc(Cl)c1CO[C@H]1CC[NH2+]C1 ZINC000036142144 360660153 /nfs/dbraw/zinc/66/01/53/360660153.db2.gz QTPQDTNSVDVUQB-QMMMGPOBSA-N 1 0 229.682 2.358 40 0 BEABRO [NH3+]C1(c2ccc3c(c2)OCO3)CCCC1 ZINC000013564837 181333595 /nfs/dbraw/zinc/33/35/95/181333595.db2.gz KNQJIEORLQNWNY-UHFFFAOYSA-N 1 0 205.257 2.143 40 0 BEABRO [NH3+]C1CC(C(F)(F)F)(C(F)(F)F)C1 ZINC000057219013 181340783 /nfs/dbraw/zinc/34/07/83/181340783.db2.gz QUTPPDWWJFTGSW-UHFFFAOYSA-N 1 0 207.117 2.219 40 0 BEABRO [NH3+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000020266673 181345374 /nfs/dbraw/zinc/34/53/74/181345374.db2.gz PVYKMZFYQMEMEY-UHFFFAOYSA-N 1 0 242.725 2.402 40 0 BEABRO COc1cc(C)c([C@@H]2CCCC[NH2+]2)cn1 ZINC000072218028 259528989 /nfs/dbraw/zinc/52/89/89/259528989.db2.gz KWRPJCGNACVQII-NSHDSACASA-N 1 0 206.289 2.213 40 0 BEABRO C[NH+](C)[C@H](CC[NH3+])c1ccc(Cl)cc1 ZINC000011762463 370751065 /nfs/dbraw/zinc/75/10/65/370751065.db2.gz IDNMRNLCEZWGGG-LLVKDONJSA-N 1 0 212.724 2.292 40 0 BEABRO [NH3+]CC1(Cc2ccc(F)cc2)CCOCC1 ZINC000061673943 181360778 /nfs/dbraw/zinc/36/07/78/181360778.db2.gz RJUXTKJJCSINGT-UHFFFAOYSA-N 1 0 223.291 2.124 40 0 BEABRO [NH3+]CC1(c2ccc3c(c2)OCO3)CCCC1 ZINC000026514627 181362415 /nfs/dbraw/zinc/36/24/15/181362415.db2.gz SBSKIHXCZWXAHH-UHFFFAOYSA-N 1 0 219.284 2.186 40 0 BEABRO Cc1nc(N2CCCCC2)ccc1[C@H](C)[NH3+] ZINC000072224551 259532583 /nfs/dbraw/zinc/53/25/83/259532583.db2.gz ZJZXMKFJLGFPQO-JTQLQIEISA-N 1 0 219.332 2.400 40 0 BEABRO [NH3+]CCCc1cccc(OC(F)F)c1 ZINC000044279809 181386461 /nfs/dbraw/zinc/38/64/61/181386461.db2.gz CUIRZTARBACCOV-UHFFFAOYSA-N 1 0 201.216 2.179 40 0 BEABRO [NH3+]CCNCc1cccc(Cl)c1Cl ZINC000037712595 181398054 /nfs/dbraw/zinc/39/80/54/181398054.db2.gz WFHVJSSPKJFOOO-UHFFFAOYSA-N 1 0 219.115 2.042 40 0 BEABRO [NH3+]CCNc1ncc(Cl)c2sccc21 ZINC000019721364 181398371 /nfs/dbraw/zinc/39/83/71/181398371.db2.gz OZWZRDLPZIVIHW-UHFFFAOYSA-N 1 0 227.720 2.320 40 0 BEABRO [NH3+]CCNc1ccnc2c(Cl)cccc12 ZINC000222678486 181398448 /nfs/dbraw/zinc/39/84/48/181398448.db2.gz SBVKOEIOMRACDI-UHFFFAOYSA-N 1 0 221.691 2.259 40 0 BEABRO [NH3+]C[C@@H](c1ccc(O)cc1)C1(O)CCCCC1 ZINC000021981405 181425139 /nfs/dbraw/zinc/42/51/39/181425139.db2.gz BHCUWXACHAFFSK-ZDUSSCGKSA-N 1 0 235.327 2.130 40 0 in-man BEABRO Cc1c[nH]c([C@@H]2CC[N@H+](CC3CCC3)C2)n1 ZINC000205694292 368358499 /nfs/dbraw/zinc/35/84/99/368358499.db2.gz NOFZQQKCYJXRKW-GFCCVEGCSA-N 1 0 219.332 2.308 40 0 BEABRO CCN(C(C)=O)[C@@H]1C[N@H+](C)C2(C1)CCCCC2 ZINC000205699799 368359738 /nfs/dbraw/zinc/35/97/38/368359738.db2.gz ZQRFNCHVCNWMJA-ZDUSSCGKSA-N 1 0 238.375 2.262 40 0 BEABRO [NH3+]C[C@H]1C[C@@]12CCOc1ccc(Cl)cc12 ZINC000218685694 181467885 /nfs/dbraw/zinc/46/78/85/181467885.db2.gz OJTLHRANFACQCV-PELKAZGASA-N 1 0 223.703 2.339 40 0 BEABRO COc1ccc([C@@H]2C[C@H]2[C@H](C)[NH3+])c(OC)c1 ZINC000108019117 369372230 /nfs/dbraw/zinc/37/22/30/369372230.db2.gz RRLUYITYNNJRHP-UWJYBYFXSA-N 1 0 221.300 2.155 40 0 BEABRO CN(C)c1nc([C@@H]2CCCC[NH2+]2)cn2cccc12 ZINC000205686908 369996956 /nfs/dbraw/zinc/99/69/56/369996956.db2.gz ZRTXHWGHAKZJBU-NSHDSACASA-N 1 0 244.342 2.215 40 0 BEABRO Fc1ccc(N2CC[NH2+][C@H]3CCC[C@@H]32)cc1 ZINC000225716616 259541792 /nfs/dbraw/zinc/54/17/92/259541792.db2.gz SILOSBBKHXSDGL-STQMWFEESA-N 1 0 220.291 2.156 40 0 BEABRO [NH3+][C@H]1CCCN(CC2(c3ccccc3)CC2)C1 ZINC000031993160 181644026 /nfs/dbraw/zinc/64/40/26/181644026.db2.gz DFNMHQPGVJYFLL-AWEZNQCLSA-N 1 0 230.355 2.141 40 0 BEABRO [NH3+][C@H]1CCCc2[nH]nc(-c3ccccc3)c21 ZINC000072415318 181649803 /nfs/dbraw/zinc/64/98/03/181649803.db2.gz LRVFYKYPMWPIJC-JTQLQIEISA-N 1 0 213.284 2.413 40 0 BEABRO [NH3+][C@H]1C[C@@H]1c1ccc(Br)s1 ZINC000037381253 181659708 /nfs/dbraw/zinc/65/97/08/181659708.db2.gz YOZWARUYCJJUCK-WHFBIAKZSA-N 1 0 218.119 2.325 40 0 BEABRO C[C@@H]1C[C@H]2[C@@H](C[C@@H](C(F)(F)F)C[C@@H]2[NH3+])O1 ZINC000225763179 371575055 /nfs/dbraw/zinc/57/50/55/371575055.db2.gz DXOFCJWXXLMFIJ-QKCLAQEOSA-N 1 0 223.238 2.080 40 0 BEABRO Clc1ccc(CO[C@@H]2CCC[NH2+]C2)cn1 ZINC000040434840 373263511 /nfs/dbraw/zinc/26/35/11/373263511.db2.gz VHWKUUWNPYVHED-SNVBAGLBSA-N 1 0 226.707 2.004 40 0 BEABRO OCCCC1CC[NH+](CCc2ccncc2)CC1 ZINC000004716419 183044222 /nfs/dbraw/zinc/04/42/22/183044222.db2.gz REUFEWWGDZWTAY-UHFFFAOYSA-N 1 0 248.370 2.109 40 0 BEABRO OC[C@@H](c1ccccc1F)[NH+]1CCCCC1 ZINC000041242356 183114288 /nfs/dbraw/zinc/11/42/88/183114288.db2.gz PHQODCTZVMCCMY-ZDUSSCGKSA-N 1 0 223.291 2.345 40 0 BEABRO OC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000041246427 183114677 /nfs/dbraw/zinc/11/46/77/183114677.db2.gz UMWGTFDOBBGBTJ-LBPRGKRZSA-N 1 0 225.719 2.469 40 0 BEABRO OC[C@@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000013568176 183118259 /nfs/dbraw/zinc/11/82/59/183118259.db2.gz KRIDCXMQJUMNJH-GFCCVEGCSA-N 1 0 244.338 2.372 40 0 BEABRO OC[C@@]1(c2ccccc2)CC[N@@H+]2CCCC[C@@H]21 ZINC000095951695 183136216 /nfs/dbraw/zinc/13/62/16/183136216.db2.gz QKDCTUBAQIWOAZ-HUUCEWRRSA-N 1 0 231.339 2.175 40 0 BEABRO O[C@@H](c1cccc2ncccc21)[C@@H]1CCCC[NH2+]1 ZINC000001873724 183185379 /nfs/dbraw/zinc/18/53/79/183185379.db2.gz GLUILMXLFMYLMU-GJZGRUSLSA-N 1 0 242.322 2.410 40 0 BEABRO O[C@H](c1ccc2cccnc2c1)[C@@H]1CCCC[NH2+]1 ZINC000001729520 183229614 /nfs/dbraw/zinc/22/96/14/183229614.db2.gz MNCWVFJXBARQLI-DZGCQCFKSA-N 1 0 242.322 2.410 40 0 BEABRO O[C@H]1[C@@H]2CCC[C@H]1[C@H]([NH+]1CCCCC1)CC2 ZINC000035498286 183213330 /nfs/dbraw/zinc/21/33/30/183213330.db2.gz JFIGMNBDLSGWHQ-RQJABVFESA-N 1 0 223.360 2.412 40 0 BEABRO O[C@@H]1[C@@H]2CCC[C@H]1CC[C@@H]2[NH+]1CCCCC1 ZINC000000507394 183249352 /nfs/dbraw/zinc/24/93/52/183249352.db2.gz JFIGMNBDLSGWHQ-CRWXNKLISA-N 1 0 223.360 2.412 40 0 BEABRO c1cnc2cccc(C[C@@H]3CC[NH2+]C3)c2c1 ZINC000072367583 183354545 /nfs/dbraw/zinc/35/45/45/183354545.db2.gz FFRVQOSDKUWSSX-NSHDSACASA-N 1 0 212.296 2.387 40 0 BEABRO c1cc(C[C@H]2CCC[N@@H+](CC3CCC3)C2)n[nH]1 ZINC000257328641 183354804 /nfs/dbraw/zinc/35/48/04/183354804.db2.gz XGNYMGYWZBLCEN-CYBMUJFWSA-N 1 0 233.359 2.464 40 0 BEABRO c1cc([C@H]2CCC[NH2+]C2)n(C2CCCC2)n1 ZINC000095093749 183363768 /nfs/dbraw/zinc/36/37/68/183363768.db2.gz AYVJLFQDWMKHNO-NSHDSACASA-N 1 0 219.332 2.465 40 0 BEABRO c1cc(CC2=[NH+]CCN2)c2c(c1)CCCC2 ZINC000000002128 183365112 /nfs/dbraw/zinc/36/51/12/183365112.db2.gz RSTAWBICYZRXME-UHFFFAOYSA-N 1 0 214.312 2.110 40 0 in-man BEABRO c1cc(C2CC[NH2+]CC2)cc2c1OCC2 ZINC000038539275 183366794 /nfs/dbraw/zinc/36/67/94/183366794.db2.gz AZLWTTVWXMJMGZ-UHFFFAOYSA-N 1 0 203.285 2.089 40 0 BEABRO c1cc(C2CC[NH2+]CC2)cc2c1CCN2 ZINC000002512997 183367075 /nfs/dbraw/zinc/36/70/75/183367075.db2.gz IYKONFXKMZDYFY-UHFFFAOYSA-N 1 0 202.301 2.122 40 0 BEABRO c1cc2cc(C[C@@H]3CCC[NH2+]C3)cnc2[nH]1 ZINC000257304896 183374955 /nfs/dbraw/zinc/37/49/55/183374955.db2.gz SNOMDWXTFNDAFR-JTQLQIEISA-N 1 0 215.300 2.105 40 0 BEABRO c1ccc(-c2nc([C@@H]3CCC[NH2+]C3)no2)cc1 ZINC000060393380 183381651 /nfs/dbraw/zinc/38/16/51/183381651.db2.gz RFNUNTOBFIYXAW-LLVKDONJSA-N 1 0 229.283 2.204 40 0 BEABRO c1cc([C@@H]2CCC[NH2+]2)nc(N2CCCC2)c1 ZINC000072386370 183360595 /nfs/dbraw/zinc/36/05/95/183360595.db2.gz JEJBLVBYRAJKON-NSHDSACASA-N 1 0 217.316 2.106 40 0 BEABRO c1ccc(C2(CN3CCC[NH2+]CC3)CC2)cc1 ZINC000096523655 183387483 /nfs/dbraw/zinc/38/74/83/183387483.db2.gz OPMUGZWJABPXOT-UHFFFAOYSA-N 1 0 230.355 2.014 40 0 BEABRO CCC[NH2+]Cc1cc(OC)c(OC)cc1OC ZINC000007262333 169267136 /nfs/dbraw/zinc/26/71/36/169267136.db2.gz KTHKDKDJEGCVLM-UHFFFAOYSA-N 1 0 239.315 2.212 40 0 BEABRO c1ccc(CN2CCC[C@H]2C[NH2+]C2CC2)cc1 ZINC000053649317 183398589 /nfs/dbraw/zinc/39/85/89/183398589.db2.gz CDWNMFBKHYTWNM-HNNXBMFYSA-N 1 0 230.355 2.403 40 0 BEABRO CCC[C@@H](C(=O)OC)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022538681 169346550 /nfs/dbraw/zinc/34/65/50/169346550.db2.gz NPBBRGNFLTWNPV-TUAOUCFPSA-N 1 0 227.348 2.306 40 0 BEABRO CC(C)(C)OC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000079437684 166643482 /nfs/dbraw/zinc/64/34/82/166643482.db2.gz NHOZVDBUVVIVHY-JTQLQIEISA-N 1 0 240.347 2.138 40 0 BEABRO CCCc1ccc(C[NH2+]CCCOC)[nH]1 ZINC000226020516 169571234 /nfs/dbraw/zinc/57/12/34/169571234.db2.gz MPFYMUDLOYCWSP-UHFFFAOYSA-N 1 0 210.321 2.093 40 0 BEABRO FC(F)(F)c1cccc(C2=CC[NH2+]CC2)n1 ZINC000060015336 1172589802 /nfs/dbraw/zinc/58/98/02/1172589802.db2.gz IQNPGWQUCDKRIY-UHFFFAOYSA-N 1 0 228.217 2.477 40 0 BEABRO CCN(CCO)Cc1c(F)cccc1Cl ZINC000049754189 383825061 /nfs/dbraw/zinc/82/50/61/383825061.db2.gz NJVZWZRNQKARJH-UHFFFAOYSA-N 1 0 231.698 2.293 40 0 BEABRO c1ccc2c(c1)cccc2CCNC1=[NH+]CCO1 ZINC000001638853 383915548 /nfs/dbraw/zinc/91/55/48/383915548.db2.gz XKIIHBYDGWKACY-UHFFFAOYSA-N 1 0 240.306 2.358 40 0 BEABRO CC[C@@H](C(=O)N1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000067800413 383946569 /nfs/dbraw/zinc/94/65/69/383946569.db2.gz MORJXNXBCOPEET-TZMCWYRMSA-N 1 0 246.354 2.001 40 0 BEABRO c1coc(CNCCC[NH2+]Cc2ccco2)c1 ZINC000003851151 384032120 /nfs/dbraw/zinc/03/21/20/384032120.db2.gz YYPXZKMLNNLCDL-UHFFFAOYSA-N 1 0 234.299 2.142 40 0 BEABRO c1ccc2c(c1)SCC[C@H]2NC1=NCCO1 ZINC000005941610 384137389 /nfs/dbraw/zinc/13/73/89/384137389.db2.gz YEGCWAQTPNEBHN-SNVBAGLBSA-N 1 0 234.324 2.199 40 0 BEABRO COc1ccc(C[NH2+]CC(C)C)cc1OC ZINC000005817285 384132640 /nfs/dbraw/zinc/13/26/40/384132640.db2.gz CZGBBCBWPBHKGS-UHFFFAOYSA-N 1 0 223.316 2.449 40 0 BEABRO Cc1ccsc1C[N@@H+](CCO)C(C)C ZINC000079436115 384146487 /nfs/dbraw/zinc/14/64/87/384146487.db2.gz XTNKYEHINVZVRS-UHFFFAOYSA-N 1 0 213.346 2.259 40 0 BEABRO CC(C)(C)OC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000079437687 384147129 /nfs/dbraw/zinc/14/71/29/384147129.db2.gz NHOZVDBUVVIVHY-SNVBAGLBSA-N 1 0 240.347 2.138 40 0 BEABRO CC(C)N(CC[NH3+])Cc1nccc2ccccc21 ZINC000079422054 384141980 /nfs/dbraw/zinc/14/19/80/384141980.db2.gz YNCLBEYPBREQTH-UHFFFAOYSA-N 1 0 243.354 2.404 40 0 BEABRO C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000072207680 384200206 /nfs/dbraw/zinc/20/02/06/384200206.db2.gz PRWFSZXEPFDTEG-QWRGUYRKSA-N 1 0 242.363 2.241 40 0 BEABRO COC[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000071534512 384234763 /nfs/dbraw/zinc/23/47/63/384234763.db2.gz AOPHCXXWOIWZSC-SECBINFHSA-N 1 0 230.105 2.095 40 0 BEABRO Cc1cc(C)nc([C@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000072381406 384217330 /nfs/dbraw/zinc/21/73/30/384217330.db2.gz WKENVASXCFDYSR-LBPRGKRZSA-N 1 0 219.332 2.291 40 0 BEABRO Cc1c[nH]nc1[C@H]1C[N@@H+](C2CCCCC2)CCO1 ZINC000072381193 384217520 /nfs/dbraw/zinc/21/75/20/384217520.db2.gz YUBJCCKNWSOKGD-CYBMUJFWSA-N 1 0 249.358 2.424 40 0 BEABRO CCO[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042956408 384257441 /nfs/dbraw/zinc/25/74/41/384257441.db2.gz KOHMHCBVMUCCJN-JTQLQIEISA-N 1 0 244.132 2.485 40 0 BEABRO [NH3+]Cc1cncn1Cc1cccc(Cl)c1 ZINC000075150300 384262964 /nfs/dbraw/zinc/26/29/64/384262964.db2.gz RKKDIAHUZWPCED-UHFFFAOYSA-N 1 0 221.691 2.044 40 0 BEABRO Cc1ccc([C@H](C[NH3+])N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000216108898 384272917 /nfs/dbraw/zinc/27/29/17/384272917.db2.gz JIDRSRYRCNYOIG-YDHLFZDLSA-N 1 0 248.370 2.104 40 0 BEABRO C[NH+]1CCC(CC(=O)N2CCCCCC2)CC1 ZINC000074920981 384311396 /nfs/dbraw/zinc/31/13/96/384311396.db2.gz PQYLJVPRZAKNKR-UHFFFAOYSA-N 1 0 238.375 2.121 40 0 BEABRO C[NH2+][C@H]1CC[C@H](N(C)C(=O)OC(C)(C)C)CC1 ZINC000100178489 384280048 /nfs/dbraw/zinc/28/00/48/384280048.db2.gz UXCMOYRSKKQIHL-PHIMTYICSA-N 1 0 242.363 2.384 40 0 BEABRO CC[C@@H]([NH2+]C)c1ccc(OC)cc1OC ZINC000035488775 384413049 /nfs/dbraw/zinc/41/30/49/384413049.db2.gz KOPJWIALZNSWNN-LLVKDONJSA-N 1 0 209.289 2.374 40 0 BEABRO CCOP(=O)(OCC)[C@@H]([NH3+])C(C)C ZINC000001707652 384449050 /nfs/dbraw/zinc/44/90/50/384449050.db2.gz UUSMBCSSWVSVGA-MRVPVSSYSA-N 1 0 209.226 2.193 40 0 BEABRO [NH3+]CCc1c(F)cccc1C(F)(F)F ZINC000044248592 384438643 /nfs/dbraw/zinc/43/86/43/384438643.db2.gz IEXGEVODPMKAMA-UHFFFAOYSA-N 1 0 207.170 2.346 40 0 BEABRO C[NH+](C)CCNCc1c(F)cccc1Cl ZINC000019261529 384512493 /nfs/dbraw/zinc/51/24/93/384512493.db2.gz KMDOWMYOLQXOEE-UHFFFAOYSA-N 1 0 230.714 2.130 40 0 BEABRO Cc1c(-c2cccc(C)c2)[nH+]c(N)n1C ZINC000199560452 384524237 /nfs/dbraw/zinc/52/42/37/384524237.db2.gz VLZDCSKHUVHRJU-UHFFFAOYSA-N 1 0 201.273 2.286 40 0 BEABRO C[C@@H]([NH3+])[C@@H]1C[C@@H]1c1ccc(N(C)C)cc1 ZINC000020594530 384624448 /nfs/dbraw/zinc/62/44/48/384624448.db2.gz VTBIATVXDXCNEC-JIMOISOXSA-N 1 0 204.317 2.203 40 0 BEABRO C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2F)C1 ZINC000082324147 384668440 /nfs/dbraw/zinc/66/84/40/384668440.db2.gz AQSPRKBXNJCRDX-SNVBAGLBSA-N 1 0 236.290 2.106 40 0 BEABRO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000082306120 384662356 /nfs/dbraw/zinc/66/23/56/384662356.db2.gz KPIJBNIEQKRTLM-TZMCWYRMSA-N 1 0 246.354 2.206 40 0 BEABRO C1=CC[C@@H]([C@@H]2OC[C@H](C[NH+]3CCCC3)O2)CC1 ZINC000101889250 384692531 /nfs/dbraw/zinc/69/25/31/384692531.db2.gz DOIMBTOKESEEMG-HZSPNIEDSA-N 1 0 237.343 2.180 40 0 BEABRO C1=CC2=CC=C[C@H](CC3=[NH+]CCN3)[C@@H]2C=C1 ZINC000021983095 384717128 /nfs/dbraw/zinc/71/71/28/384717128.db2.gz ZJSGEQUSOJAXBX-CHWSQXEVSA-N 1 0 212.296 2.233 40 0 BEABRO C[C@H](CC(=O)N1CC[NH2+]C[C@H]1C)CC(C)(C)C ZINC000054369978 384836533 /nfs/dbraw/zinc/83/65/33/384836533.db2.gz PGEYFXAHUPHRHL-VXGBXAGGSA-N 1 0 240.391 2.269 40 0 BEABRO [NH3+]C[C@@H]1C[C@@H]1c1ccc(OC(F)F)cc1 ZINC000054586840 384841812 /nfs/dbraw/zinc/84/18/12/384841812.db2.gz YLAYUIMEMDLUBM-WCBMZHEXSA-N 1 0 213.227 2.350 40 0 BEABRO CCO[C@@H](C[NH2+]C)c1ccc(OC)cc1OC ZINC000062711554 384852699 /nfs/dbraw/zinc/85/26/99/384852699.db2.gz JFZXLCWIVCZRQV-ZDUSSCGKSA-N 1 0 239.315 2.001 40 0 BEABRO [NH3+]Cc1coc(-c2ccccc2Cl)n1 ZINC000057495607 384949788 /nfs/dbraw/zinc/94/97/88/384949788.db2.gz SHQLPAIDPJDJDD-UHFFFAOYSA-N 1 0 208.648 2.454 40 0 BEABRO Cc1ccc(NC(=O)[C@H]2CCCCC[NH2+]2)cc1 ZINC000083896435 384920146 /nfs/dbraw/zinc/92/01/46/384920146.db2.gz IQWZTPDZYDOMTF-CYBMUJFWSA-N 1 0 232.327 2.466 40 0 BEABRO COc1cccc(NC(=O)[C@@H]2CCCCC[NH2+]2)c1 ZINC000083896426 384922150 /nfs/dbraw/zinc/92/21/50/384922150.db2.gz UKHXIDNZFPRNPV-ZDUSSCGKSA-N 1 0 248.326 2.166 40 0 BEABRO Cc1ccc(C[NH2+]CCC[NH+](C)C)cc1 ZINC000057322200 384940663 /nfs/dbraw/zinc/94/06/63/384940663.db2.gz PMZYIQVZCOOCPL-UHFFFAOYSA-N 1 0 206.333 2.036 40 0 BEABRO CC(C)[C@H]([NH3+])c1nc(-c2ccccc2F)n[nH]1 ZINC000095534758 385047454 /nfs/dbraw/zinc/04/74/54/385047454.db2.gz CKLVWBXYFGVGAD-JTQLQIEISA-N 1 0 234.278 2.267 40 0 BEABRO Clc1ccc(CN[C@@H]2CC[NH2+]C2)cc1Cl ZINC000072203643 385055952 /nfs/dbraw/zinc/05/59/52/385055952.db2.gz QQGBVEVFLBEWKI-SECBINFHSA-N 1 0 245.153 2.445 40 0 BEABRO CC(C)[C@H]([NH3+])CCC(=O)Nc1ccccc1 ZINC000072208130 385060605 /nfs/dbraw/zinc/06/06/05/385060605.db2.gz VVAMJYLFZSRHST-GFCCVEGCSA-N 1 0 220.316 2.389 40 0 BEABRO CC[N@@H+]1CCC[C@@H]1c1cccnc1OC ZINC000072211712 385072402 /nfs/dbraw/zinc/07/24/02/385072402.db2.gz CSSGRURCIRLJAR-LLVKDONJSA-N 1 0 206.289 2.247 40 0 BEABRO CNc1ccc([C@@H]2CCCCN2C(C)=O)cn1 ZINC000072212511 385075191 /nfs/dbraw/zinc/07/51/91/385075191.db2.gz XINVUMHYQFOQNS-LBPRGKRZSA-N 1 0 233.315 2.197 40 0 BEABRO CC[N@@H+]1CCCC[C@H]1c1ccc[nH]c1=O ZINC000072212323 385076877 /nfs/dbraw/zinc/07/68/77/385076877.db2.gz VGGLQOOUGCRAMY-NSHDSACASA-N 1 0 206.289 2.334 40 0 BEABRO CNc1ncccc1[C@H]1CCCCN1C(C)=O ZINC000072212570 385077017 /nfs/dbraw/zinc/07/70/17/385077017.db2.gz HMWSAJONKGMWPV-GFCCVEGCSA-N 1 0 233.315 2.197 40 0 BEABRO CCN(C)c1ncccc1C1=[NH+]CCC1 ZINC000072212757 385078910 /nfs/dbraw/zinc/07/89/10/385078910.db2.gz VVBOVPKRVKYDGO-UHFFFAOYSA-N 1 0 203.289 2.121 40 0 BEABRO CCN(C)c1ncccc1[C@@H]1CCCC[NH2+]1 ZINC000072212788 385080018 /nfs/dbraw/zinc/08/00/18/385080018.db2.gz VSDKTIDMPTZMLV-LBPRGKRZSA-N 1 0 219.332 2.352 40 0 BEABRO C[N@@H+]1CCC[C@H]1c1cccnc1NC1CC1 ZINC000072213704 385083096 /nfs/dbraw/zinc/08/30/96/385083096.db2.gz KXRLVNPPCNWYRB-LBPRGKRZSA-N 1 0 217.316 2.423 40 0 BEABRO c1cnc(NC2CCC2)c([C@H]2CCC[NH2+]2)c1 ZINC000072213881 385083265 /nfs/dbraw/zinc/08/32/65/385083265.db2.gz RIUKDRKFJDMNEM-GFCCVEGCSA-N 1 0 217.316 2.471 40 0 BEABRO CC(C)[C@H]([NH3+])c1nc(CNc2ccccc2)n[nH]1 ZINC000095534732 385045536 /nfs/dbraw/zinc/04/55/36/385045536.db2.gz QMYCTJZEJVQECS-LBPRGKRZSA-N 1 0 245.330 2.073 40 0 BEABRO CC(C)[C@@H]([NH3+])c1nc(CNc2ccccc2)n[nH]1 ZINC000095534733 385046993 /nfs/dbraw/zinc/04/69/93/385046993.db2.gz QMYCTJZEJVQECS-GFCCVEGCSA-N 1 0 245.330 2.073 40 0 BEABRO COc1ccc([C@H]([NH3+])c2ccccc2)c(C)n1 ZINC000072224029 385115570 /nfs/dbraw/zinc/11/55/70/385115570.db2.gz CCOYMWWETDIYPC-CQSZACIVSA-N 1 0 228.295 2.447 40 0 BEABRO CCOP(=O)(OCC)[C@H]([NH3+])C(C)C ZINC000006403989 385116090 /nfs/dbraw/zinc/11/60/90/385116090.db2.gz UUSMBCSSWVSVGA-QMMMGPOBSA-N 1 0 209.226 2.193 40 0 BEABRO Cc1nc(N2CCCC2)ccc1[C@@H](C)[NH3+] ZINC000072224523 385119633 /nfs/dbraw/zinc/11/96/33/385119633.db2.gz HLYRKPZWHQMBGA-SECBINFHSA-N 1 0 205.305 2.010 40 0 BEABRO c1cnc(N2CCCC2)c([C@H]2CCCC[NH2+]2)c1 ZINC000072215995 385094664 /nfs/dbraw/zinc/09/46/64/385094664.db2.gz QFMSMNKEHZDNRW-CYBMUJFWSA-N 1 0 231.343 2.496 40 0 BEABRO CC[N@@H+]1CCC[C@@H]1c1ccc(N)nc1C ZINC000072218551 385099971 /nfs/dbraw/zinc/09/99/71/385099971.db2.gz WODJHSIWXJQFLJ-LLVKDONJSA-N 1 0 205.305 2.129 40 0 BEABRO Cc1[nH]c(=S)ccc1[C@H]1CCC[N@H+]1C ZINC000072218366 385100528 /nfs/dbraw/zinc/10/05/28/385100528.db2.gz SQHFUSWYIIBCTA-SNVBAGLBSA-N 1 0 208.330 2.445 40 0 BEABRO Cc1cc([C@@H]2CCC[N@@H+]2C)cnc1N(C)C ZINC000072218605 385102248 /nfs/dbraw/zinc/10/22/48/385102248.db2.gz UNPPCLUUMQTOMA-LBPRGKRZSA-N 1 0 219.332 2.223 40 0 BEABRO CNc1ccc([C@@H]2CCCC[NH2+]2)c(C)n1 ZINC000072219112 385104552 /nfs/dbraw/zinc/10/45/52/385104552.db2.gz KPQMUSMIGUCFTA-NSHDSACASA-N 1 0 205.305 2.246 40 0 BEABRO [NH3+][C@H]1C[C@H](C(F)(F)F)Cc2occc21 ZINC000085399129 385164351 /nfs/dbraw/zinc/16/43/51/385164351.db2.gz WTRHZUQGCLVJNE-FSPLSTOPSA-N 1 0 205.179 2.404 40 0 BEABRO O=C1c2ccccc2CC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000019375174 385212306 /nfs/dbraw/zinc/21/23/06/385212306.db2.gz HDNRBVRWENYZLC-OLZOCXBDSA-N 1 0 215.296 2.184 40 0 BEABRO CCC[NH2+]Cc1cnn(CC2CC(C)C2)c1 ZINC000096509098 385237916 /nfs/dbraw/zinc/23/79/16/385237916.db2.gz OWMKNLUVGQMYJZ-UHFFFAOYSA-N 1 0 221.348 2.429 40 0 BEABRO c1ccc2c(c1)ccnc2CN1CCC[NH2+]CC1 ZINC000096523649 385266984 /nfs/dbraw/zinc/26/69/84/385266984.db2.gz ZQJGWJGZBCYIEC-UHFFFAOYSA-N 1 0 241.338 2.030 40 0 BEABRO [NH3+][C@H]1CCCN(CCCCc2ccccc2)C1 ZINC000096523549 385268220 /nfs/dbraw/zinc/26/82/20/385268220.db2.gz INDHTHGSTADQOH-HNNXBMFYSA-N 1 0 232.371 2.432 40 0 BEABRO Fc1ccc(Cl)c(CN2CCC[NH2+]CC2)c1 ZINC000096523648 385268367 /nfs/dbraw/zinc/26/83/67/385268367.db2.gz FZXAVMXTUXEOHH-UHFFFAOYSA-N 1 0 242.725 2.274 40 0 BEABRO Cc1ccc([C@@H](CO)[NH+]2CCCC2)cc1 ZINC000041213749 385615332 /nfs/dbraw/zinc/61/53/32/385615332.db2.gz FJYDANZWVOHKGU-CYBMUJFWSA-N 1 0 205.301 2.124 40 0 BEABRO [NH3+]C[C@@]1(CO)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000062713447 385698109 /nfs/dbraw/zinc/69/81/09/385698109.db2.gz UBDQFPICMKRFMH-GZMMTYOYSA-N 1 0 246.137 2.418 40 0 BEABRO FC(F)CNc1cccc([C@@H]2CCC[NH2+]2)n1 ZINC000257219707 385752089 /nfs/dbraw/zinc/75/20/89/385752089.db2.gz DHUNWELOWJFSRB-QMMMGPOBSA-N 1 0 227.258 2.183 40 0 BEABRO Cc1c[nH]c([C@@H]2CCC[N@@H+](C3CCOCC3)C2)n1 ZINC000257207740 385753346 /nfs/dbraw/zinc/75/33/46/385753346.db2.gz BJAJGLCQKUNPEY-GFCCVEGCSA-N 1 0 249.358 2.077 40 0 BEABRO Cc1cc(-c2cc([C@@H]3CCC[NH2+]3)ccn2)n[nH]1 ZINC000257228456 385755593 /nfs/dbraw/zinc/75/55/93/385755593.db2.gz FTXRIQFEULMSJH-NSHDSACASA-N 1 0 228.299 2.205 40 0 BEABRO CC(C)[N@@H+]1CCC[C@]1(C)c1ccnc2ccnn21 ZINC000257279970 385758233 /nfs/dbraw/zinc/75/82/33/385758233.db2.gz OIYCKMHRDOZGTN-CQSZACIVSA-N 1 0 244.342 2.449 40 0 BEABRO c1sc(Nc2cnccn2)nc1[C@@H]1CCC[NH2+]1 ZINC000257302061 385760847 /nfs/dbraw/zinc/76/08/47/385760847.db2.gz SBFLAKYCOSPCOL-QMMMGPOBSA-N 1 0 247.327 2.101 40 0 BEABRO Cc1c[nH]nc1[C@H]1CC[N@@H+](Cc2cccn2C)C1 ZINC000257319722 385765580 /nfs/dbraw/zinc/76/55/80/385765580.db2.gz VTUMQGKUWMGYLH-LBPRGKRZSA-N 1 0 244.342 2.046 40 0 BEABRO c1ccc2oc(CC3CC[NH2+]CC3)nc2c1 ZINC000015423952 385725016 /nfs/dbraw/zinc/72/50/16/385725016.db2.gz YFWHICXKHXCIJM-UHFFFAOYSA-N 1 0 216.284 2.370 40 0 BEABRO CCC[C@H](C(=O)OC)[N@@H+]1CCCC[C@@H]1C ZINC000022538655 385919084 /nfs/dbraw/zinc/91/90/84/385919084.db2.gz XCUSXHHSDBPAFM-WDEREUQCSA-N 1 0 213.321 2.203 40 0 BEABRO Clc1ccc2c(c1)OCC[C@@]21CC[NH2+]1 ZINC000306145358 385992985 /nfs/dbraw/zinc/99/29/85/385992985.db2.gz CIEQKRWKNFQKTM-NSHDSACASA-N 1 0 209.676 2.311 40 0 BEABRO CC(C)OCCCN1CC[NH2+][C@@H]2CCCC[C@H]21 ZINC000218831123 386055692 /nfs/dbraw/zinc/05/56/92/386055692.db2.gz SVOFHSOHNPEOPL-ZIAGYGMSSA-N 1 0 240.391 2.018 40 0 BEABRO COc1ccccc1N1CC[NH2+][C@H]2CCCC[C@H]21 ZINC000218832705 386149865 /nfs/dbraw/zinc/14/98/65/386149865.db2.gz BMMDBEJVFDAXMM-QWHCGFSZSA-N 1 0 246.354 2.416 40 0 BEABRO C[NH2+][C@H](CO)c1ccc(Cl)cc1Cl ZINC000038121312 386125165 /nfs/dbraw/zinc/12/51/65/386125165.db2.gz QPRVUKNTILVPGC-SECBINFHSA-N 1 0 220.099 2.246 40 0 BEABRO [NH3+][C@@H]1CCCC[C@@H]1NCc1ccc(F)cc1 ZINC000218856737 386302129 /nfs/dbraw/zinc/30/21/29/386302129.db2.gz LRGCLQBNHQXGJI-OLZOCXBDSA-N 1 0 222.307 2.185 40 0 BEABRO CCCC[NH2+]CCC(=O)OC(C)(C)C ZINC000005066415 386506584 /nfs/dbraw/zinc/50/65/84/386506584.db2.gz NIYLFPXKKQMEIR-UHFFFAOYSA-N 1 0 201.310 2.108 40 0 BEABRO [NH3+][C@@H]1CCC[C@@H]1Nc1cc(F)cc(F)c1 ZINC000218883467 386512622 /nfs/dbraw/zinc/51/26/22/386512622.db2.gz JTSPYXFCIXDUNO-MNOVXSKESA-N 1 0 212.243 2.257 40 0 BEABRO C[n+]1cccc(-c2nc3ccccc3o2)c1 ZINC000137475637 386679794 /nfs/dbraw/zinc/67/97/94/386679794.db2.gz NTDVWJQVAJITPN-UHFFFAOYSA-N 1 0 211.244 2.319 40 0 BEABRO C[C@H](NC(=O)CC1CC[NH2+]CC1)c1ccccc1 ZINC000019471632 387034164 /nfs/dbraw/zinc/03/41/64/387034164.db2.gz IHNMADIQRUHWJA-LBPRGKRZSA-N 1 0 246.354 2.254 40 0 BEABRO C[C@@H](NC(=O)CC1CC[NH2+]CC1)c1ccccc1 ZINC000019471630 387034531 /nfs/dbraw/zinc/03/45/31/387034531.db2.gz IHNMADIQRUHWJA-GFCCVEGCSA-N 1 0 246.354 2.254 40 0 BEABRO C[NH2+][C@H]1CCCN(Cc2ccccc2C)C1 ZINC000053201458 387533499 /nfs/dbraw/zinc/53/34/99/387533499.db2.gz GXRWMVQGGSPFGP-AWEZNQCLSA-N 1 0 218.344 2.179 40 0 BEABRO c1cnc2[nH]c([C@H]3CC[N@@H+](C4CCC4)C3)nc2c1 ZINC000035442892 387760012 /nfs/dbraw/zinc/76/00/12/387760012.db2.gz XONIZWQHVCVEED-JTQLQIEISA-N 1 0 242.326 2.300 40 0 biogenic,in-vitro BEABRO CC(C)(O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000004203902 387850224 /nfs/dbraw/zinc/85/02/24/387850224.db2.gz BESBVPBWOJMGFI-ZDUSSCGKSA-N 1 0 219.328 2.279 40 0 BEABRO Cc1c(C[NH2+]C[C@@H]2CCCO2)cnn1C(C)C ZINC000256050247 387858932 /nfs/dbraw/zinc/85/89/32/387858932.db2.gz DHFSCNMCONJDPN-ZDUSSCGKSA-N 1 0 237.347 2.041 40 0 BEABRO COc1ccccc1N1CC[NH2+][C@@H]2CCCC[C@H]21 ZINC000218832621 256615216 /nfs/dbraw/zinc/61/52/16/256615216.db2.gz BMMDBEJVFDAXMM-CHWSQXEVSA-N 1 0 246.354 2.416 40 0 BEABRO CCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000038539488 388373179 /nfs/dbraw/zinc/37/31/79/388373179.db2.gz CVZILVKWPDLLDG-UHFFFAOYSA-N 1 0 219.328 2.206 40 0 BEABRO CCN(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]CC[C@@H]1C ZINC000217677416 388379323 /nfs/dbraw/zinc/37/93/23/388379323.db2.gz WQWRYKRMRBWZLF-WDEREUQCSA-N 1 0 242.363 2.241 40 0 BEABRO [NH3+][C@@H]1C[C@]12CCOc1ccc(Cl)cc12 ZINC000218686133 388391270 /nfs/dbraw/zinc/39/12/70/388391270.db2.gz LVIJXJAIZQYJOP-MNOVXSKESA-N 1 0 209.676 2.091 40 0 BEABRO CCCCC[N@@H+]1CCN[C@H]2CCCC[C@H]21 ZINC000218828033 388393018 /nfs/dbraw/zinc/39/30/18/388393018.db2.gz VUAWENVOQGLHJL-QWHCGFSZSA-N 1 0 210.365 2.393 40 0 BEABRO CC(C)c1ccc([C@@H]2CN(C)C[C@H]2[NH3+])cc1 ZINC000242649265 388400108 /nfs/dbraw/zinc/40/01/08/388400108.db2.gz RZAQKRLKXBQPIV-UONOGXRCSA-N 1 0 218.344 2.166 40 0 BEABRO CN(Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000095067830 388591008 /nfs/dbraw/zinc/59/10/08/388591008.db2.gz LICYOHDZIKBDMV-ZDUSSCGKSA-N 1 0 222.307 2.010 40 0 BEABRO [NH3+]C[C@@H](F)c1ccccc1Br ZINC000107260817 388601104 /nfs/dbraw/zinc/60/11/04/388601104.db2.gz PSILMZYIDXSKAA-MRVPVSSYSA-N 1 0 218.069 2.418 40 0 BEABRO Fc1cccc2c1OC1(CC[NH2+]CC1)CCN2 ZINC000521396081 388672422 /nfs/dbraw/zinc/67/24/22/388672422.db2.gz UMCTYHXDHUOKEL-UHFFFAOYSA-N 1 0 236.290 2.142 40 0 BEABRO O=C1OCCC12CC[NH+](Cc1ccccc1)CC2 ZINC000038591291 388651879 /nfs/dbraw/zinc/65/18/79/388651879.db2.gz TWZHOZUPYHHCBZ-UHFFFAOYSA-N 1 0 245.322 2.216 40 0 BEABRO [NH3+]Cc1ccc(NC(=O)c2cccs2)cc1 ZINC000020224320 388652384 /nfs/dbraw/zinc/65/23/84/388652384.db2.gz WPGSNXRMMMHSCX-UHFFFAOYSA-N 1 0 232.308 2.459 40 0 BEABRO C[C@@H](O[C@@H]1CC[NH2+]C1)c1cncc(Cl)c1 ZINC000252483218 388653287 /nfs/dbraw/zinc/65/32/87/388653287.db2.gz DXKABCCNKZTURV-LDYMZIIASA-N 1 0 226.707 2.175 40 0 BEABRO Cc1ccc([C@H](C)O[C@H]2CC[NH2+]C2)c(C)n1 ZINC000252488752 388653372 /nfs/dbraw/zinc/65/33/72/388653372.db2.gz IXXRNOQIHCRCST-RYUDHWBXSA-N 1 0 220.316 2.138 40 0 BEABRO CC[C@H]([NH3+])COc1ccc(C(F)(F)F)cn1 ZINC000095094792 388759277 /nfs/dbraw/zinc/75/92/77/388759277.db2.gz APYDUEDMZBEOBF-QMMMGPOBSA-N 1 0 234.221 2.217 40 0 BEABRO CCCCC[N@@H+]1CCN[C@@H]2CCCC[C@@H]21 ZINC000225711532 388840368 /nfs/dbraw/zinc/84/03/68/388840368.db2.gz VUAWENVOQGLHJL-OLZOCXBDSA-N 1 0 210.365 2.393 40 0 BEABRO Fc1cccc(F)c1N1CC[NH2+][C@H]2CCC[C@@H]21 ZINC000225717570 388840705 /nfs/dbraw/zinc/84/07/05/388840705.db2.gz JQRHECGNOBAGTD-RYUDHWBXSA-N 1 0 238.281 2.296 40 0 BEABRO Fc1ccc(N2CC[NH2+][C@H]3CCC[C@@H]32)c(F)c1 ZINC000225717703 388842551 /nfs/dbraw/zinc/84/25/51/388842551.db2.gz DDGNWRZUMOVSQJ-AAEUAGOBSA-N 1 0 238.281 2.296 40 0 BEABRO Cc1c[nH]nc1[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000072356957 177681075 /nfs/dbraw/zinc/68/10/75/177681075.db2.gz YRSLKFVOADAWLC-NSHDSACASA-N 1 0 207.321 2.306 40 0 BEABRO CCN1C[C@@H]2CC[NH2+][C@@H]2c2ccccc21 ZINC000004202987 132243249 /nfs/dbraw/zinc/24/32/49/132243249.db2.gz VLWRWRLWJUVOTM-GWCFXTLKSA-N 1 0 202.301 2.177 40 0 BEABRO Cc1ccccc1N1CC[NH2+][C@@H]2CCC[C@H]21 ZINC000218843525 132291086 /nfs/dbraw/zinc/29/10/86/132291086.db2.gz IOMBDNVJKDTDRM-TZMCWYRMSA-N 1 0 216.328 2.326 40 0 BEABRO C[NH+]1CCN(c2ccc(-n3cccc3)cc2)CC1 ZINC000226245510 132291317 /nfs/dbraw/zinc/29/13/17/132291317.db2.gz BKMOAZGNMYOLNX-UHFFFAOYSA-N 1 0 241.338 2.229 40 0 BEABRO C[C@@H]1C[NH2+]C[C@H](C)N1c1ccc(F)cc1 ZINC000011632653 132319994 /nfs/dbraw/zinc/31/99/94/132319994.db2.gz XSWIJPLJWWYSJJ-AOOOYVTPSA-N 1 0 208.280 2.012 40 0 BEABRO C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000013470056 132321755 /nfs/dbraw/zinc/32/17/55/132321755.db2.gz AYBJOYHCSCVXCS-UHFFFAOYSA-N 1 0 244.260 2.457 40 0 BEABRO c1cnc([C@@H]2CCCN(c3cc[nH+]cc3)C2)cn1 ZINC000072356922 132396094 /nfs/dbraw/zinc/39/60/94/132396094.db2.gz ZXMOHSUDQLQYHL-GFCCVEGCSA-N 1 0 240.310 2.256 40 0 BEABRO c1cc([C@@H]2CCCN(c3cc[nH+]cc3)C2)ncn1 ZINC000072356920 132396415 /nfs/dbraw/zinc/39/64/15/132396415.db2.gz HBPOAXMXQSQZTN-GFCCVEGCSA-N 1 0 240.310 2.256 40 0 BEABRO Cc1ccc2cc(C[NH2+]C3CC3)c(=O)[nH]c2c1C ZINC000013566559 397845404 /nfs/dbraw/zinc/84/54/04/397845404.db2.gz ILJBYPYDVAWMMZ-UHFFFAOYSA-N 1 0 242.322 2.397 40 0 BEABRO CC(=O)OC/C=C(\C)CC[C@H]1[NH2+]C1(C)C ZINC000169799764 397816145 /nfs/dbraw/zinc/81/61/45/397816145.db2.gz CQDDPUCJKMDJFL-MXMFLMJRSA-N 1 0 211.305 2.026 40 0 BEABRO Cc1nc(Cc2ccccc2)nc(C)c1C[NH3+] ZINC000020397207 397964050 /nfs/dbraw/zinc/96/40/50/397964050.db2.gz IUKFPWMIRFAFDT-UHFFFAOYSA-N 1 0 227.311 2.143 40 0 BEABRO COc1ccc2ccccc2c1[C@H](C[NH3+])N(C)C ZINC000037290090 397996153 /nfs/dbraw/zinc/99/61/53/397996153.db2.gz AHHQXKZTEKRYQB-ZDUSSCGKSA-N 1 0 244.338 2.410 40 0 BEABRO CCCCC[NH2+]Cc1cn(CC)nc1C ZINC000256049939 398040738 /nfs/dbraw/zinc/04/07/38/398040738.db2.gz CAEVFGYEUQULTE-UHFFFAOYSA-N 1 0 209.337 2.491 40 0 BEABRO CCNc1ncc(C[NH2+]C2CCCCC2)cn1 ZINC000062717512 398055924 /nfs/dbraw/zinc/05/59/24/398055924.db2.gz XQAXCJMEUIZNIH-UHFFFAOYSA-N 1 0 234.347 2.331 40 0 BEABRO [NH3+]Cc1nc2c(s1)c(F)cc(F)c2F ZINC000146669415 398096743 /nfs/dbraw/zinc/09/67/43/398096743.db2.gz RSSTZJXPLDVQBQ-UHFFFAOYSA-N 1 0 218.203 2.172 40 0 BEABRO C[C@@](CO)(c1cccs1)[NH+]1CCCC1 ZINC000070453235 322905062 /nfs/dbraw/zinc/90/50/62/322905062.db2.gz AFSOIRBNVCUECP-LLVKDONJSA-N 1 0 211.330 2.051 40 0 BEABRO COC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000070453735 322905134 /nfs/dbraw/zinc/90/51/34/322905134.db2.gz BKNASUWNTMRJRJ-ZDUSSCGKSA-N 1 0 233.311 2.039 40 0 BEABRO [NH3+][C@@H]1CCCC[C@@H]1NCc1cccc(F)c1 ZINC000072411159 410028263 /nfs/dbraw/zinc/02/82/63/410028263.db2.gz RZBAYURBQUDRQO-OLZOCXBDSA-N 1 0 222.307 2.185 40 0 BEABRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CC(N)(C(F)(F)F)C2 ZINC000096528064 167035377 /nfs/dbraw/zinc/03/53/77/167035377.db2.gz UWSROLMXPJISLZ-ULKQDVFKSA-N 1 0 236.281 2.281 40 0 BEABRO CC(C)[NH2+]C[C@H]1COCc2nc3ccccc3n21 ZINC000096112708 167114794 /nfs/dbraw/zinc/11/47/94/167114794.db2.gz APZSAUXUGKUQHU-NSHDSACASA-N 1 0 245.326 2.106 40 0 biogenic,in-vitro BEABRO CC(C)[NH2+]Cc1ccc(Br)nc1 ZINC000072194558 167119695 /nfs/dbraw/zinc/11/96/95/167119695.db2.gz AQEKUJFBABSCRI-UHFFFAOYSA-N 1 0 229.121 2.342 40 0 BEABRO CC(C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000043323670 167133878 /nfs/dbraw/zinc/13/38/78/167133878.db2.gz LFTQRMKZAXONPV-LLVKDONJSA-N 1 0 242.363 2.384 40 0 BEABRO CC(C)Nc1c(N)c[nH+]cc1Br ZINC000096311240 167141627 /nfs/dbraw/zinc/14/16/27/167141627.db2.gz OGOFOQPTNFFCAN-UHFFFAOYSA-N 1 0 230.109 2.247 40 0 BEABRO CC(C)Nc1ccc(C[C@@H]2CC[NH2+]C2)cn1 ZINC000072388949 167143447 /nfs/dbraw/zinc/14/34/47/167143447.db2.gz BHPBEWLVXXKBRP-LBPRGKRZSA-N 1 0 219.332 2.054 40 0 BEABRO CC(C)OCCC[NH2+]Cc1ccnn1C(C)C ZINC000256051868 167224275 /nfs/dbraw/zinc/22/42/75/167224275.db2.gz KUVFHTCZFRGSML-UHFFFAOYSA-N 1 0 239.363 2.369 40 0 BEABRO [NH3+]Cc1ccc(C(F)(F)F)nc1Cl ZINC000044249999 411298185 /nfs/dbraw/zinc/29/81/85/411298185.db2.gz ZXXYRFCKVPZVQU-UHFFFAOYSA-N 1 0 210.586 2.213 40 0 BEABRO CC1CC(C[NH3+])([C@@H](O)c2cccs2)C1 ZINC000085396146 168138707 /nfs/dbraw/zinc/13/87/07/168138707.db2.gz PZXICHOKQSKGFZ-JZQLECPJSA-N 1 0 211.330 2.157 40 0 BEABRO CN(C)[C@H]1[C@@H]([NH+](C)C)[C@H]2CC[C@]1(C)C2(C)C ZINC000245241065 411384372 /nfs/dbraw/zinc/38/43/72/411384372.db2.gz WWHMPEUSLLXFGZ-UHXUPSOCSA-N 1 0 224.392 2.303 40 0 BEABRO CCN(C[C@@H]1CCCC[NH2+]1)C(=O)OC(C)(C)C ZINC000079437601 169886320 /nfs/dbraw/zinc/88/63/20/169886320.db2.gz ZAOIIMCNCUNJQE-NSHDSACASA-N 1 0 242.363 2.386 40 0 BEABRO CC[N@@H+]1CC[C@@H](c2cc3cccnc3[nH]2)C1 ZINC000072361096 170014403 /nfs/dbraw/zinc/01/44/03/170014403.db2.gz IHFWMDLQHPJENV-LLVKDONJSA-N 1 0 215.300 2.372 40 0 BEABRO CCNC(=O)[C@H](c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000217526799 170099494 /nfs/dbraw/zinc/09/94/94/170099494.db2.gz BHTAVLZTAFSIHV-ZIAGYGMSSA-N 1 0 246.354 2.048 40 0 BEABRO CC[NH2+]CC(=O)Nc1cccc(Cl)c1C ZINC000001672719 170110017 /nfs/dbraw/zinc/11/00/17/170110017.db2.gz ZDRWBVRWEGJKMG-UHFFFAOYSA-N 1 0 226.707 2.196 40 0 BEABRO CC[NH2+]C[C@H]1CC[C@H](CC(=O)OCC)CC1 ZINC000242548870 170120181 /nfs/dbraw/zinc/12/01/81/170120181.db2.gz LXJAWXNHIKYGQN-HAQNSBGRSA-N 1 0 227.348 2.356 40 0 BEABRO CCOc1ccc(N[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000218877516 170554452 /nfs/dbraw/zinc/55/44/52/170554452.db2.gz ADZZSJMQSBBVFR-STQMWFEESA-N 1 0 220.316 2.377 40 0 BEABRO CC[C@]1(C)CNC(c2ccccc2)=[NH+]C1 ZINC000001760278 171204214 /nfs/dbraw/zinc/20/42/14/171204214.db2.gz APBATRDUWCWKLB-UHFFFAOYSA-N 1 0 202.301 2.453 40 0 BEABRO CCn1c(C)ccc1C[NH2+]C[C@@H]1CCCO1 ZINC000226019141 172137668 /nfs/dbraw/zinc/13/76/68/172137668.db2.gz AALKKSJWLGARNS-ZDUSSCGKSA-N 1 0 222.332 2.085 40 0 BEABRO CCn1cccc1-c1noc([C@@H]2CCC[NH2+]C2)n1 ZINC000096531612 172202623 /nfs/dbraw/zinc/20/26/23/172202623.db2.gz DNFPDPZFCCIGLO-SNVBAGLBSA-N 1 0 246.314 2.025 40 0 BEABRO CN(C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010337712 172389704 /nfs/dbraw/zinc/38/97/04/172389704.db2.gz KIIJJHMFVGMDOU-UHFFFAOYSA-N 1 0 246.354 2.374 40 0 BEABRO C[NH+]1CCC(c2cc3cccnc3[nH]2)CC1 ZINC000072187650 173000047 /nfs/dbraw/zinc/00/00/47/173000047.db2.gz YBKVHCZPGSMOKQ-UHFFFAOYSA-N 1 0 215.300 2.324 40 0 BEABRO CN1CCC[NH+]=C1/C=C\c1cccc(O)c1 ZINC000013513607 173018766 /nfs/dbraw/zinc/01/87/66/173018766.db2.gz VRYKTHBAWRESFI-SREVYHEPSA-N 1 0 216.284 2.139 40 0 BEABRO C[N@@H+]1CCC[C@]2(CCN(Cc3ccco3)C2)C1 ZINC000096215217 173061273 /nfs/dbraw/zinc/06/12/73/173061273.db2.gz SKEBJGKZJGRVFH-AWEZNQCLSA-N 1 0 234.343 2.197 40 0 BEABRO CN1CC[NH+](CCSc2ccccc2)CC1 ZINC000022593690 173081598 /nfs/dbraw/zinc/08/15/98/173081598.db2.gz HSZPYOIGRMEUKI-UHFFFAOYSA-N 1 0 236.384 2.026 40 0 BEABRO C[N@@H+]1CCc2nc(Cl)c(Cl)cc2C1 ZINC000096511323 173174361 /nfs/dbraw/zinc/17/43/61/173174361.db2.gz XTVNPKLYMKWSFQ-UHFFFAOYSA-N 1 0 217.099 2.376 40 0 BEABRO C[N@H+]1[C@@H]2CCC[C@H]1CC(OC(=O)c1ccco1)C2 ZINC000000526637 173205508 /nfs/dbraw/zinc/20/55/08/173205508.db2.gz GGHICGWVZFRCPF-FOSCPWQOSA-N 1 0 249.310 2.452 40 0 BEABRO C[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)c1ccccc1)C2 ZINC000000271983 173205915 /nfs/dbraw/zinc/20/59/15/173205915.db2.gz XQJMXPAEFMWDOZ-PBWFPOADSA-N 1 0 245.322 2.469 40 0 biogenic,in-vitro BEABRO C[NH2+]C1CCN(Cc2ccc(C)cc2)CC1 ZINC000037241589 173322986 /nfs/dbraw/zinc/32/29/86/173322986.db2.gz PMXHQLAASOMLDU-UHFFFAOYSA-N 1 0 218.344 2.179 40 0 BEABRO C[NH2+]CC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000019422394 173332978 /nfs/dbraw/zinc/33/29/78/173332978.db2.gz ZAHGUWVJLMUFSW-UHFFFAOYSA-N 1 0 233.098 2.151 40 0 BEABRO C[NH2+]CC1(c2ccc(C)cc2)CCOCC1 ZINC000053739364 173337915 /nfs/dbraw/zinc/33/79/15/173337915.db2.gz NCYRBNADORTCFU-UHFFFAOYSA-N 1 0 219.328 2.263 40 0 BEABRO C[NH2+]C[C@H]1CCCC[C@@]1(O)c1cccc(OC)c1 ZINC000003643419 173378681 /nfs/dbraw/zinc/37/86/81/173378681.db2.gz VUMQHLSPUAFKKK-UKRRQHHQSA-N 1 0 249.354 2.292 40 0 world BEABRO C[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072207699 173446073 /nfs/dbraw/zinc/44/60/73/173446073.db2.gz LMCCXEPTKNFYKP-SNVBAGLBSA-N 1 0 242.363 2.241 40 0 BEABRO COC(=O)CC1CC[NH+](Cc2ccco2)CC1 ZINC000015423846 173525165 /nfs/dbraw/zinc/52/51/65/173525165.db2.gz VGJCCWLNJFIDLD-UHFFFAOYSA-N 1 0 237.299 2.055 40 0 BEABRO COCCC[NH2+]Cc1cccc2[nH]ccc21 ZINC000015423530 174248561 /nfs/dbraw/zinc/24/85/61/174248561.db2.gz SDOPOUXCWBEYMJ-UHFFFAOYSA-N 1 0 218.300 2.294 40 0 BEABRO COCC[NH2+]Cc1cc(C)n(CC(C)C)c1C ZINC000223659854 174334563 /nfs/dbraw/zinc/33/45/63/174334563.db2.gz FVDBXTVANFZYST-UHFFFAOYSA-N 1 0 238.375 2.497 40 0 BEABRO COc1c2occc2c(C[NH3+])c2ccc(=O)oc21 ZINC000001590848 174937322 /nfs/dbraw/zinc/93/73/22/174937322.db2.gz LIFOOMNHGFBULI-UHFFFAOYSA-N 1 0 245.234 2.007 40 0 BEABRO COc1cc([C@@H](C)O)c[n+](Cc2ccccc2)c1 ZINC000001630444 175013766 /nfs/dbraw/zinc/01/37/66/175013766.db2.gz FHIJRFZBQNEPKF-GFCCVEGCSA-N 1 0 244.314 2.084 40 0 BEABRO COc1ccc(-c2nnc([C@@H]([NH3+])C(C)C)[nH]2)cc1 ZINC000095534704 175039750 /nfs/dbraw/zinc/03/97/50/175039750.db2.gz BUMDASOMVPGRGW-NSHDSACASA-N 1 0 246.314 2.136 40 0 BEABRO COc1ccc(C2(C[NH3+])CCC2)cc1OC ZINC000011848927 175084663 /nfs/dbraw/zinc/08/46/63/175084663.db2.gz HWNXNLJYEUUWKK-UHFFFAOYSA-N 1 0 221.300 2.084 40 0 BEABRO COc1ccc(COC[C@@H]2CCCC[NH2+]2)cc1 ZINC000043494950 175113567 /nfs/dbraw/zinc/11/35/67/175113567.db2.gz PRWTUNXDWSSXSI-ZDUSSCGKSA-N 1 0 235.327 2.354 40 0 BEABRO COc1ccc([C@@H]2C[C@@H]3CC[C@H]([C@@H]2O)[N@@H+]3C)cc1 ZINC000005496303 175185527 /nfs/dbraw/zinc/18/55/27/175185527.db2.gz IZCIXCQYMYMPDS-SPWCGHHHSA-N 1 0 247.338 2.006 40 0 BEABRO COc1ccc2ncn(C[NH+]3CCCCC3)c2c1 ZINC000073634250 175229769 /nfs/dbraw/zinc/22/97/69/175229769.db2.gz HAOXHTRFXCNUGG-UHFFFAOYSA-N 1 0 245.326 2.488 40 0 BEABRO COc1ccc2onc(C3CC[NH2+]CC3)c2c1 ZINC000019946236 175231781 /nfs/dbraw/zinc/23/17/81/175231781.db2.gz VSTUTQWTJWSZPH-UHFFFAOYSA-N 1 0 232.283 2.303 40 0 BEABRO COc1cccc(OC)c1[C@@H]1CCC[NH2+]C1 ZINC000038539281 175282495 /nfs/dbraw/zinc/28/24/95/175282495.db2.gz CROPIMHTLXALPY-SNVBAGLBSA-N 1 0 221.300 2.171 40 0 BEABRO COc1cccc([C@@H]([NH3+])c2ccccn2)c1 ZINC000037466295 175288493 /nfs/dbraw/zinc/28/84/93/175288493.db2.gz OPWJTMNXFGQJRI-CYBMUJFWSA-N 1 0 214.268 2.138 40 0 BEABRO COc1cccc2c(C[NH+](C)C)c[nH]c21 ZINC000015119426 175299428 /nfs/dbraw/zinc/29/94/28/175299428.db2.gz QBSJIUXVQLREJU-UHFFFAOYSA-N 1 0 204.273 2.238 40 0 BEABRO CSc1nnc([C@H]2CCC[NH2+]C2)n1C(C)C ZINC000005000662 175593298 /nfs/dbraw/zinc/59/32/98/175593298.db2.gz UUHQSIWWVUENAX-VIFPVBQESA-N 1 0 240.376 2.048 40 0 BEABRO C[C@@H](O[C@H]1CC[NH2+]C1)c1ccccc1F ZINC000096529869 176004018 /nfs/dbraw/zinc/00/40/18/176004018.db2.gz JOAPWZVBSXWBCB-ZJUUUORDSA-N 1 0 209.264 2.265 40 0 BEABRO C[C@@H]1CC(C)(C)[NH2+][C@H]([C@@H]2CCC=CO2)O1 ZINC000004803875 176052738 /nfs/dbraw/zinc/05/27/38/176052738.db2.gz WEKSFFIEUWLTHJ-VWYCJHECSA-N 1 0 211.305 2.182 40 0 BEABRO C[C@@H]1CCCC[C@@]1(C[NH3+])NC(=O)OC(C)(C)C ZINC000096102470 176083773 /nfs/dbraw/zinc/08/37/73/176083773.db2.gz QNJPTRDSPLWFQA-MFKMUULPSA-N 1 0 242.363 2.419 40 0 BEABRO C[C@@H]1CCC[N@H+](CCCNC(=O)C(C)(C)C)C1 ZINC000046958643 176098143 /nfs/dbraw/zinc/09/81/43/176098143.db2.gz MPVQRFXOJFBXPC-GFCCVEGCSA-N 1 0 240.391 2.271 40 0 BEABRO C[C@@H]1CN(Cc2ccccc2Cl)CC[NH2+]1 ZINC000071531941 176307117 /nfs/dbraw/zinc/30/71/17/176307117.db2.gz VWPNHKQITQZVIG-SNVBAGLBSA-N 1 0 224.735 2.134 40 0 BEABRO C[C@H](O[C@@H]1CC[NH2+]C1)c1cccc(F)c1 ZINC000096529854 177021604 /nfs/dbraw/zinc/02/16/04/177021604.db2.gz RNQHMAAQVMREMW-JOYOIKCWSA-N 1 0 209.264 2.265 40 0 BEABRO C[C@H]([C@@H](O)c1ccccc1)[n+]1ccccc1 ZINC000001712270 177030596 /nfs/dbraw/zinc/03/05/96/177030596.db2.gz YFPQJXQDJMCHQA-TZMCWYRMSA-N 1 0 214.288 2.269 40 0 BEABRO C[C@H](c1cccc(Cl)c1)[N@H+](C)CCO ZINC000062016047 177036663 /nfs/dbraw/zinc/03/66/63/177036663.db2.gz AKQGXOAWWQTUCZ-SECBINFHSA-N 1 0 213.708 2.325 40 0 BEABRO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1ccccc1 ZINC000040539459 177066051 /nfs/dbraw/zinc/06/60/51/177066051.db2.gz LDYXEQLMMZDMQB-RYUDHWBXSA-N 1 0 219.328 2.420 40 0 BEABRO C[C@H]1CCC[N@H+](CCCNC(=O)C(C)(C)C)C1 ZINC000046958645 177098744 /nfs/dbraw/zinc/09/87/44/177098744.db2.gz MPVQRFXOJFBXPC-LBPRGKRZSA-N 1 0 240.391 2.271 40 0 BEABRO C[C@H]1CN(Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000071531992 177264768 /nfs/dbraw/zinc/26/47/68/177264768.db2.gz XHNYQZBPUPLYHZ-JTQLQIEISA-N 1 0 224.735 2.134 40 0 BEABRO C[C@H]1C[NH2+]CCN1Cc1ccc(Cl)c(F)c1 ZINC000071978867 177283602 /nfs/dbraw/zinc/28/36/02/177283602.db2.gz DLQMXKLGPBMMKX-VIFPVBQESA-N 1 0 242.725 2.273 40 0 BEABRO C[C@H]1C[NH2+]CCN1Cc1cccc(Cl)c1F ZINC000067800344 177285099 /nfs/dbraw/zinc/28/50/99/177285099.db2.gz GUJMTQIQOFQARJ-VIFPVBQESA-N 1 0 242.725 2.273 40 0 BEABRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)OCc1ccccc1 ZINC000073657060 177327867 /nfs/dbraw/zinc/32/78/67/177327867.db2.gz VVCFYFUPEUQVNY-AAEUAGOBSA-N 1 0 248.326 2.135 40 0 BEABRO C[C@H](C[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)[S@@](C)=O ZINC000195560813 177355690 /nfs/dbraw/zinc/35/56/90/177355690.db2.gz GWNOXSJHARWDTG-VNUHZKFNSA-N 1 0 231.405 2.168 40 0 BEABRO CC[C@@H]([NH3+])[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072208642 262721762 /nfs/dbraw/zinc/72/17/62/262721762.db2.gz VXVKOWIGVDIUNF-ZJUUUORDSA-N 1 0 228.336 2.123 40 0 BEABRO COc1ccc([C@@H]2C[C@@H]2[C@@H](C)[NH3+])c(OC)c1 ZINC000020392311 323090623 /nfs/dbraw/zinc/09/06/23/323090623.db2.gz RRLUYITYNNJRHP-FXAINCCUSA-N 1 0 221.300 2.155 40 0 BEABRO CCNc1ccc([C@@H]2CCC[N@@H+]2C)cn1 ZINC000039039605 323090869 /nfs/dbraw/zinc/09/08/69/323090869.db2.gz AIVCGSKEACPYBS-NSHDSACASA-N 1 0 205.305 2.280 40 0 BEABRO Clc1ccc(CNC[C@H]2CCC[NH2+]2)cc1 ZINC000072202928 487995120 /nfs/dbraw/zinc/99/51/20/487995120.db2.gz XYNRULYVFXCODS-GFCCVEGCSA-N 1 0 224.735 2.182 40 0 BEABRO OC[C@H](c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000070453248 518203400 /nfs/dbraw/zinc/20/34/00/518203400.db2.gz HCYAJXNBVBUXHX-GFCCVEGCSA-N 1 0 227.254 2.094 40 0 BEABRO CCCNc1c[nH+]cc(Br)c1N ZINC000225742634 520186660 /nfs/dbraw/zinc/18/66/60/520186660.db2.gz PBNLPKIPQMAIJR-UHFFFAOYSA-N 1 0 230.109 2.248 40 0 BEABRO C[C@@H]1C[C@H]2[C@H](C[C@@H](C(F)(F)F)C[C@H]2[NH3+])O1 ZINC000252528004 525513141 /nfs/dbraw/zinc/51/31/41/525513141.db2.gz DXOFCJWXXLMFIJ-WUNNTHRKSA-N 1 0 223.238 2.080 40 0 BEABRO NC(=[NH2+])COc1cc(Cl)cc(Cl)c1 ZINC000057616942 526816382 /nfs/dbraw/zinc/81/63/82/526816382.db2.gz QSTJDJPGHYYIHJ-UHFFFAOYSA-N 1 0 219.071 2.308 40 0 BEABRO [NH3+]CCc1ccc(Cc2ccccc2)o1 ZINC000219927843 527196783 /nfs/dbraw/zinc/19/67/83/527196783.db2.gz UZTBGOFNFNYFES-UHFFFAOYSA-N 1 0 201.269 2.372 40 0 BEABRO C[C@@H](O)c1ccccc1C1CC[NH2+]CC1 ZINC000142098326 1165836931 /nfs/dbraw/zinc/83/69/31/1165836931.db2.gz YUWDJUSJUWNGPI-SNVBAGLBSA-N 1 0 205.301 2.207 40 0 BEABRO C[N@@H+]1CCC[C@@H]1C[C@@H]1CNc2cccc(O)c21 ZINC000214474704 1167037687 /nfs/dbraw/zinc/03/76/87/1167037687.db2.gz IEZDBJGTSJCFTD-GHMZBOCLSA-N 1 0 232.327 2.386 40 0 BEABRO C[N@@H+]1CC[C@H]2CN3CCc4cccc(c43)[C@H]2C1 ZINC000002581413 978602632 /nfs/dbraw/zinc/60/26/32/978602632.db2.gz YASBOGFWAMXINH-JSGCOSHPSA-N 1 0 228.339 2.098 40 0 BEABRO O=C1C[C@H](c2ccccc2)[n+]2ccccc21 ZINC000005489796 980101507 /nfs/dbraw/zinc/10/15/07/980101507.db2.gz UWJFHXCPAWJRIZ-CYBMUJFWSA-N 1 0 210.256 2.150 40 0 BEABRO CC[NH+]1CCC(c2cc(NC)nc(C)n2)CC1 ZINC000072361104 343980005 /nfs/dbraw/zinc/98/00/05/343980005.db2.gz KASBQEGRBKDYJB-UHFFFAOYSA-N 1 0 234.347 2.026 40 0 BEABRO Cc1ccc(-c2nnc([C@H]3CC[N@@H+](C)C3)o2)cc1 ZINC000049169914 178342709 /nfs/dbraw/zinc/34/27/09/178342709.db2.gz FXIDQVKLBPVKSZ-LBPRGKRZSA-N 1 0 243.310 2.464 40 0 biogenic,in-vitro BEABRO [NH3+]C[C@H]1CCCCN1CCc1ccsc1 ZINC000069764951 259313058 /nfs/dbraw/zinc/31/30/58/259313058.db2.gz QTAZYVFVJVAXCV-GFCCVEGCSA-N 1 0 224.373 2.104 40 0 BEABRO CCOC(=O)CC(C)(C)[NH+](CC)CC ZINC000070824272 259314141 /nfs/dbraw/zinc/31/41/41/259314141.db2.gz YARXARZGXWCQFZ-UHFFFAOYSA-N 1 0 201.310 2.060 40 0 BEABRO CO[C@@H](c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000072207899 259315079 /nfs/dbraw/zinc/31/50/79/259315079.db2.gz IMQNCYAFHAKTKT-OLZOCXBDSA-N 1 0 205.301 2.374 40 0 BEABRO C[C@H](CC(=O)Nc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000072208205 259315151 /nfs/dbraw/zinc/31/51/51/259315151.db2.gz VFKXYTDTXIIOOX-YPMHNXCESA-N 1 0 232.327 2.403 40 0 BEABRO CCOC(=O)C[C@@](C)([NH2+]C)c1ccccc1 ZINC000072210259 259316464 /nfs/dbraw/zinc/31/64/64/259316464.db2.gz BIWNOQAEYMNSGI-CYBMUJFWSA-N 1 0 221.300 2.074 40 0 BEABRO CCOC(=O)C[C@@H]([NH2+]C1CC1)c1ccccc1 ZINC000072210267 259316611 /nfs/dbraw/zinc/31/66/11/259316611.db2.gz JHJGVLZLXIUSNK-CYBMUJFWSA-N 1 0 233.311 2.433 40 0 BEABRO CCOC(=O)C[C@](C)([NH2+]C)c1ccccc1 ZINC000072210258 259316351 /nfs/dbraw/zinc/31/63/51/259316351.db2.gz BIWNOQAEYMNSGI-ZDUSSCGKSA-N 1 0 221.300 2.074 40 0 BEABRO CC(=O)N[C@H]1CCCC[C@@H]1C1CCC([NH3+])CC1 ZINC000001579180 342704002 /nfs/dbraw/zinc/70/40/02/342704002.db2.gz OVPICLNSCJKJLW-PQAZSJQKSA-N 1 0 238.375 2.199 40 0 BEABRO CC(=O)NCCCCCC[NH+]1CCCCC1 ZINC000001646510 342707053 /nfs/dbraw/zinc/70/70/53/342707053.db2.gz LJLDWLPCNBUWJD-UHFFFAOYSA-N 1 0 226.364 2.169 40 0 BEABRO CC(C)C(=O)OCC[N@H+](C)CCc1ccccc1 ZINC000001676420 342708289 /nfs/dbraw/zinc/70/82/89/342708289.db2.gz ADVIDGRTGZVHRZ-UHFFFAOYSA-N 1 0 249.354 2.360 40 0 BEABRO Cc1ccc2cc(N(C)C)ccc2[n+]1C ZINC000001734847 342711781 /nfs/dbraw/zinc/71/17/81/342711781.db2.gz BNVSKYZBTLRUFY-UHFFFAOYSA-N 1 0 201.293 2.039 40 0 BEABRO Cc1cc2[nH+]c(N)[nH]c2c(Br)c1 ZINC000072219699 259318667 /nfs/dbraw/zinc/31/86/67/259318667.db2.gz WZZPUOPKGUUPGQ-UHFFFAOYSA-N 1 0 226.077 2.216 40 0 BEABRO Clc1ccc([C@H]2C[C@H]3CC[C@@H]2[NH2+]3)cn1 ZINC000002565794 342724528 /nfs/dbraw/zinc/72/45/28/342724528.db2.gz NLPRAJRHRHZCQQ-BBBLOLIVSA-N 1 0 208.692 2.343 40 0 in-vitro BEABRO COc1cc(C)c([C@@H]2CCC[N@@H+]2C)cn1 ZINC000072218001 259318331 /nfs/dbraw/zinc/31/83/31/259318331.db2.gz XYSUJOPFMVEKHG-NSHDSACASA-N 1 0 206.289 2.165 40 0 BEABRO C[C@H](C[NH+](C)C)OC(=O)Nc1ccccc1 ZINC000003633776 342735278 /nfs/dbraw/zinc/73/52/78/342735278.db2.gz HTAXCBIPSABVFQ-SNVBAGLBSA-N 1 0 222.288 2.185 40 0 BEABRO CCCO[C@H](C)c1ccc([C@@H]([NH3+])CO)cc1 ZINC000072220202 259318882 /nfs/dbraw/zinc/31/88/82/259318882.db2.gz DFXQALFMJDURLV-MFKMUULPSA-N 1 0 223.316 2.166 40 0 BEABRO CC[NH+](CC)Cc1cccc(C(=O)OC)c1 ZINC000004691872 342750658 /nfs/dbraw/zinc/75/06/58/342750658.db2.gz SBJZGERXYGXOPQ-UHFFFAOYSA-N 1 0 221.300 2.315 40 0 BEABRO [NH3+][C@H](Cc1ccccc1)C(=O)c1ccccc1 ZINC000006580731 342779818 /nfs/dbraw/zinc/77/98/18/342779818.db2.gz FLVSDXZOBZUNOB-CQSZACIVSA-N 1 0 225.291 2.439 40 0 BEABRO CC(C)[C@H](C)Oc1ccccc1[C@H](O)C[NH3+] ZINC000072220129 259319665 /nfs/dbraw/zinc/31/96/65/259319665.db2.gz ITGCVAJWXCSFHD-CMPLNLGQSA-N 1 0 223.316 2.102 40 0 BEABRO CC[C@H]([NH3+])c1cnc(N(C)CC)c(C)c1 ZINC000072222206 259319938 /nfs/dbraw/zinc/31/99/38/259319938.db2.gz AFYURQCSXRWFML-NSHDSACASA-N 1 0 207.321 2.256 40 0 BEABRO COC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000035655762 342804575 /nfs/dbraw/zinc/80/45/75/342804575.db2.gz XGODMWPEWRNOJL-SRVKXCTJSA-N 1 0 227.348 2.162 40 0 BEABRO CCn1c2ncccc2nc1[C@@H]([NH3+])C(C)C ZINC000082583491 259323395 /nfs/dbraw/zinc/32/33/95/259323395.db2.gz FJQUKYJWRRCPLH-JTQLQIEISA-N 1 0 218.304 2.107 40 0 BEABRO CNC(=O)c1ccccc1C(=[NH2+])c1ccccc1 ZINC000012417583 342851783 /nfs/dbraw/zinc/85/17/83/342851783.db2.gz UUILITFHDJEQCR-UHFFFAOYSA-N 1 0 238.290 2.462 40 0 BEABRO CC(C)(C[NH3+])N1CCCC[C@@H]1c1cccnc1 ZINC000242495591 398317425 /nfs/dbraw/zinc/31/74/25/398317425.db2.gz GKKSBTARADZFRW-CYBMUJFWSA-N 1 0 233.359 2.346 40 0 BEABRO CC[C@H]([NH2+]C)c1ccc(OC)cc1OC ZINC000035488773 342889859 /nfs/dbraw/zinc/88/98/59/342889859.db2.gz KOPJWIALZNSWNN-NSHDSACASA-N 1 0 209.289 2.374 40 0 BEABRO Cc1ccc(CN2CC[NH2+][C@@H]3CCC[C@H]32)cc1 ZINC000218841184 398328931 /nfs/dbraw/zinc/32/89/31/398328931.db2.gz SEBNHSQPYQEASB-HUUCEWRRSA-N 1 0 230.355 2.321 40 0 BEABRO Nc1cc2cc(F)ccc2nc1C1CC[NH2+]CC1 ZINC000019346113 342946076 /nfs/dbraw/zinc/94/60/76/342946076.db2.gz OOTODBWFNYAYGO-UHFFFAOYSA-N 1 0 245.301 2.423 40 0 BEABRO [NH3+]C1(c2cncc(C(F)(F)F)c2)CC1 ZINC000095094336 346899367 /nfs/dbraw/zinc/89/93/67/346899367.db2.gz RCSBKWBGIZIFBC-UHFFFAOYSA-N 1 0 202.179 2.048 40 0 BEABRO CC[C@H]1[NH2+]CCC[C@@H]1[C@H](O)c1ccccc1 ZINC000095095231 346909892 /nfs/dbraw/zinc/90/98/92/346909892.db2.gz HTUWJVPCNGAXBL-BFHYXJOUSA-N 1 0 219.328 2.498 40 0 BEABRO [NH3+][C@@H](CO)Cc1ccc(-c2ccccc2)cc1 ZINC000043193626 342996725 /nfs/dbraw/zinc/99/67/25/342996725.db2.gz RCAIWVIQRMDTAV-OAHLLOKOSA-N 1 0 227.307 2.216 40 0 BEABRO CN(CCc1ccncc1)CC1([NH3+])CCCCC1 ZINC000048260190 343055751 /nfs/dbraw/zinc/05/57/51/343055751.db2.gz VDOSXBFHALOEJK-UHFFFAOYSA-N 1 0 247.386 2.218 40 0 BEABRO CCC[C@H]1[NH2+]CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000034781548 343278147 /nfs/dbraw/zinc/27/81/47/343278147.db2.gz OEBUSDBRXUSYID-GHMZBOCLSA-N 1 0 242.363 2.384 40 0 BEABRO C([C@H]1[NH2+]CC[C@H]2CCCC[C@H]21)N1CCCC1 ZINC000039982820 343394067 /nfs/dbraw/zinc/39/40/67/343394067.db2.gz WYMMZJPKJFWTSS-MGPQQGTHSA-N 1 0 222.376 2.251 40 0 BEABRO Nc1c[nH+]cc(-c2cccc(F)c2)c1N ZINC000047203968 343558388 /nfs/dbraw/zinc/55/83/88/343558388.db2.gz YVWZHORCIVVFBY-UHFFFAOYSA-N 1 0 203.220 2.052 40 0 BEABRO C[C@H](C[NH2+]Cc1ccco1)C(=O)OC(C)(C)C ZINC000047219027 343559215 /nfs/dbraw/zinc/55/92/15/343559215.db2.gz GWZNVTPAJOAVCD-SNVBAGLBSA-N 1 0 239.315 2.347 40 0 BEABRO CN(CCO)Cc1ccc(Cl)cc1Cl ZINC000049633343 343604885 /nfs/dbraw/zinc/60/48/85/343604885.db2.gz PRLAHSRXYWJOBY-UHFFFAOYSA-N 1 0 234.126 2.418 40 0 BEABRO C[C@@H](C1CC1)n1cc2c(n1)C[C@H]1CC[C@@H]2[NH2+]1 ZINC000096510249 343756182 /nfs/dbraw/zinc/75/61/82/343756182.db2.gz VDOFOLSTKIOEDA-XRNSZHNASA-N 1 0 217.316 2.203 40 0 BEABRO CC1(C)C[NH2+]CCN1C(=O)OCc1ccccc1 ZINC000066354497 343867727 /nfs/dbraw/zinc/86/77/27/343867727.db2.gz SZSAOWHLVZPQOL-UHFFFAOYSA-N 1 0 248.326 2.007 40 0 BEABRO Cc1ccc(F)cc1NC(=O)C1CC[NH2+]CC1 ZINC000019408738 344068321 /nfs/dbraw/zinc/06/83/21/344068321.db2.gz AIBPHQBPJJROJX-UHFFFAOYSA-N 1 0 236.290 2.072 40 0 BEABRO C[NH2+]C[C@H]1C[C@H]1c1cc(OC)cc(OC)c1 ZINC000054588822 259374091 /nfs/dbraw/zinc/37/40/91/259374091.db2.gz LQSNQLIZJGAFQO-MFKMUULPSA-N 1 0 221.300 2.027 40 0 BEABRO CO[C@H]1CCC[NH2+][C@H]1Cc1ccc(C)cc1 ZINC000585274747 344397010 /nfs/dbraw/zinc/39/70/10/344397010.db2.gz NDRLVGCVNFNXGK-KBPBESRZSA-N 1 0 219.328 2.305 40 0 BEABRO [NH3+][C@@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000037240536 344497601 /nfs/dbraw/zinc/49/76/01/344497601.db2.gz YOMPPYYXVAZSTL-LLVKDONJSA-N 1 0 244.260 2.238 40 0 BEABRO Cc1ccc([C@H](O)C2(C[NH3+])CC(C)C2)cc1 ZINC000085396029 178911554 /nfs/dbraw/zinc/91/15/54/178911554.db2.gz XKTXEBKSAMKSPG-QRMWWUJWSA-N 1 0 219.328 2.403 40 0 BEABRO CC(C)(C)[NH2+]C[C@H](O)c1cccc(O)c1Cl ZINC000039233494 346286825 /nfs/dbraw/zinc/28/68/25/346286825.db2.gz DLLAFIBSOHRYIT-JTQLQIEISA-N 1 0 243.734 2.467 40 0 BEABRO Cc1cccc(CN2CCC[C@H]([NH3+])C2)c1C ZINC000038539510 179075521 /nfs/dbraw/zinc/07/55/21/179075521.db2.gz SRWAGDJGSVRRNX-AWEZNQCLSA-N 1 0 218.344 2.227 40 0 BEABRO Cc1cccc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)n1 ZINC000072397541 179084134 /nfs/dbraw/zinc/08/41/34/179084134.db2.gz SAMMNJWOFUJVTN-UKRRQHHQSA-N 1 0 245.370 2.059 40 0 BEABRO Cc1ccc(NC(=O)C[NH+]2CCCCC2)cc1N ZINC000008703614 346682170 /nfs/dbraw/zinc/68/21/70/346682170.db2.gz QLNNHEUOGVZZPA-UHFFFAOYSA-N 1 0 247.342 2.002 40 0 BEABRO Cc1ccc2[nH]c(CC3CC[NH2+]CC3)nc2c1 ZINC000015423956 347112345 /nfs/dbraw/zinc/11/23/45/347112345.db2.gz RCMPOZKCQBGFTC-UHFFFAOYSA-N 1 0 229.327 2.413 40 0 BEABRO Cc1cccc(OC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000000895920 179171255 /nfs/dbraw/zinc/17/12/55/179171255.db2.gz UNJVLELDYUHSIM-CQSZACIVSA-N 1 0 249.354 2.221 40 0 BEABRO Cc1cccc2cc(C[NH2+]C3CC3)c(=O)[nH]c12 ZINC000013566561 179227279 /nfs/dbraw/zinc/22/72/79/179227279.db2.gz AGGLPHOUPSQWKA-UHFFFAOYSA-N 1 0 228.295 2.089 40 0 BEABRO COc1cc(C[NH2+]CC(C)C)ccc1O ZINC000019882924 347517502 /nfs/dbraw/zinc/51/75/02/347517502.db2.gz MFTNQIVXXZTVNY-UHFFFAOYSA-N 1 0 209.289 2.146 40 0 BEABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(C)C ZINC000201635893 347913438 /nfs/dbraw/zinc/91/34/38/347913438.db2.gz QSTANHPGFFZQMJ-CYBMUJFWSA-N 1 0 240.391 2.413 40 0 BEABRO COc1cc(OC)cc([C@H]2C[C@H]2[C@H](C)[NH3+])c1 ZINC000036922579 347963828 /nfs/dbraw/zinc/96/38/28/347963828.db2.gz SCBRMCDRXPTYCI-AQUOVQTQSA-N 1 0 221.300 2.155 40 0 BEABRO Cc1ccccc1[C@@H]1CCCN1CC[NH3+] ZINC000032553278 179327836 /nfs/dbraw/zinc/32/78/36/179327836.db2.gz CEDPLZOCGRVWOY-ZDUSSCGKSA-N 1 0 204.317 2.091 40 0 BEABRO Cc1ccccc1[C@H]1CCCN1CC[NH3+] ZINC000032553279 179346771 /nfs/dbraw/zinc/34/67/71/179346771.db2.gz CEDPLZOCGRVWOY-CYBMUJFWSA-N 1 0 204.317 2.091 40 0 BEABRO CC(C)[N@@H+]1CCCC[C@@H]1c1cc(CCO)on1 ZINC000205700381 348578078 /nfs/dbraw/zinc/57/80/78/348578078.db2.gz FWWLZOMDFQOGFL-CYBMUJFWSA-N 1 0 238.331 2.145 40 0 BEABRO C[N@@H+]1CCC[C@H](c2cccc(-c3cc[nH]n3)n2)C1 ZINC000205694962 348576127 /nfs/dbraw/zinc/57/61/27/348576127.db2.gz YWBSZFBKDGRRAW-NSHDSACASA-N 1 0 242.326 2.281 40 0 BEABRO Cc1ccc(C[N@@H+]2CCC[C@H](O)C2)cc1C ZINC000038539653 348703495 /nfs/dbraw/zinc/70/34/95/348703495.db2.gz QOJZFWVYXIRUNL-AWEZNQCLSA-N 1 0 219.328 2.260 40 0 BEABRO Cc1cc(C[N@@H+]2CCC[C@H](O)C2)ccc1F ZINC000038539686 348703999 /nfs/dbraw/zinc/70/39/99/348703999.db2.gz YJWLUQOXVQSXQM-LBPRGKRZSA-N 1 0 223.291 2.091 40 0 BEABRO CCc1ccc(-c2cc(C[NH3+])no2)cc1 ZINC000020270356 349257413 /nfs/dbraw/zinc/25/74/13/349257413.db2.gz YWITWWJGMDXOMU-UHFFFAOYSA-N 1 0 202.257 2.363 40 0 BEABRO Cc1nc([C@@H]2CCC[N@@H+]2C2CCCC2)cc(=O)[nH]1 ZINC000072356826 180045986 /nfs/dbraw/zinc/04/59/86/180045986.db2.gz BAOISJKRASXGEE-ZDUSSCGKSA-N 1 0 247.342 2.158 40 0 BEABRO Cc1nc([C@H]2CC[N@@H+](C)C2)c2sccn12 ZINC000257327374 180056975 /nfs/dbraw/zinc/05/69/75/180056975.db2.gz XBBYBNKRGXZTQM-VIFPVBQESA-N 1 0 221.329 2.123 40 0 BEABRO O=C(CC[C@@H]1CCC[NH2+]C1)N1CCCCCC1 ZINC000036757345 259411843 /nfs/dbraw/zinc/41/18/43/259411843.db2.gz ZYCBNXGIMKDWHW-ZDUSSCGKSA-N 1 0 238.375 2.169 40 0 BEABRO Cc1nccc([C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000072348352 180206979 /nfs/dbraw/zinc/20/69/79/180206979.db2.gz DUAHZOXHCXGCGS-GFCCVEGCSA-N 1 0 219.332 2.373 40 0 BEABRO CC[C@H](O)C[NH2+]Cc1ccccc1Cl ZINC000037688450 350286083 /nfs/dbraw/zinc/28/60/83/350286083.db2.gz AFNZQPSOTTWIOY-JTQLQIEISA-N 1 0 213.708 2.201 40 0 BEABRO Cc1nn(-c2ccccc2)c2c1ccc[n+]2C ZINC000000151227 180331009 /nfs/dbraw/zinc/33/10/09/180331009.db2.gz DLUVHXJPKHDJLM-UHFFFAOYSA-N 1 0 224.287 2.158 40 0 BEABRO Cc1nn(C)c(C)c1[C@H]1CCCCC[NH2+]1 ZINC000083287527 180348574 /nfs/dbraw/zinc/34/85/74/180348574.db2.gz TYEYEGUXCAFYCB-LLVKDONJSA-N 1 0 207.321 2.242 40 0 BEABRO CC[NH+]1CCN(c2cc(C)c(C)cc2N)CC1 ZINC000226218647 350408985 /nfs/dbraw/zinc/40/89/85/350408985.db2.gz LOZQTSMHMSENGS-UHFFFAOYSA-N 1 0 233.359 2.028 40 0 BEABRO COc1cc(F)cc(C2CC[NH2+]CC2)c1 ZINC000038539408 362964184 /nfs/dbraw/zinc/96/41/84/362964184.db2.gz FKVHRCWZPOABKV-UHFFFAOYSA-N 1 0 209.264 2.301 40 0 BEABRO [NH3+][C@H]1CCCN(Cc2cccc(Cl)c2)C1 ZINC000038539619 362965872 /nfs/dbraw/zinc/96/58/72/362965872.db2.gz AEUIQDMQUUXQBB-LBPRGKRZSA-N 1 0 224.735 2.263 40 0 BEABRO CC(C)=CCC[C@@H](C)C[NH+]1CCNCC1 ZINC000096024391 187456484 /nfs/dbraw/zinc/45/64/84/187456484.db2.gz JASACXKTGGBKTB-CYBMUJFWSA-N 1 0 210.365 2.274 40 0 BEABRO CC[C@@H](C(=O)N1CCC[NH2+]CC1)c1ccccc1 ZINC000019265806 187491432 /nfs/dbraw/zinc/49/14/32/187491432.db2.gz VZIAMEQWGYZXFS-CQSZACIVSA-N 1 0 246.354 2.002 40 0 BEABRO O=C(C[NH2+]C1CC1)Nc1ccccc1Cl ZINC000019387656 363147171 /nfs/dbraw/zinc/14/71/71/363147171.db2.gz FIVMUTAOXGDWJO-UHFFFAOYSA-N 1 0 224.691 2.031 40 0 BEABRO CCCCCC[NH2+][C@@H](C)CC(=O)OC ZINC000047219170 168668209 /nfs/dbraw/zinc/66/82/09/168668209.db2.gz FPVYOYUZEHRLDK-JTQLQIEISA-N 1 0 201.310 2.108 40 0 BEABRO CC(C)N(C(=O)C[NH3+])[C@@H](C)c1ccc(F)cc1 ZINC000079421196 188118395 /nfs/dbraw/zinc/11/83/95/188118395.db2.gz FDHNXNNCEKNWKS-JTQLQIEISA-N 1 0 238.306 2.082 40 0 BEABRO CC(C)Cc1nnc([C@@H]([NH3+])Cc2ccccc2)[nH]1 ZINC000095534917 188146415 /nfs/dbraw/zinc/14/64/15/188146415.db2.gz RCIFGFJVPUZILB-LBPRGKRZSA-N 1 0 244.342 2.246 40 0 BEABRO CC1(C)N(O)C=C(c2ccccc2)[N+](=O)C1(C)C ZINC000100709534 188149478 /nfs/dbraw/zinc/14/94/78/188149478.db2.gz ZRCIUCJSFWRXTL-UHFFFAOYSA-N 1 0 246.310 2.138 40 0 BEABRO Cc1cc(C)n(Cc2ccc(C[NH3+])cc2)n1 ZINC000022163643 188179635 /nfs/dbraw/zinc/17/96/35/188179635.db2.gz SXMXSNULEOKKED-UHFFFAOYSA-N 1 0 215.300 2.007 40 0 BEABRO Fc1ccc(COC2CC3(C[NH2+]C3)C2)cc1F ZINC000096509076 180971996 /nfs/dbraw/zinc/97/19/96/180971996.db2.gz SHOBMCZRQPJEIO-UHFFFAOYSA-N 1 0 239.265 2.233 40 0 BEABRO C[C@H]([NH3+])C1CCC(C(=O)Nc2ccncc2)CC1 ZINC000003873971 353512716 /nfs/dbraw/zinc/51/27/16/353512716.db2.gz IYOZTVGMEWJPKR-UNXYVOJBSA-N 1 0 247.342 2.174 40 0 in-vitro BEABRO NC(=[NH2+])CCc1ccc(Br)s1 ZINC000026896767 181186188 /nfs/dbraw/zinc/18/61/88/181186188.db2.gz OMURUFUEUIVTIM-UHFFFAOYSA-N 1 0 233.134 2.379 40 0 BEABRO NC(=[NH2+])COc1ccc(Cl)cc1Cl ZINC000055364097 181186501 /nfs/dbraw/zinc/18/65/01/181186501.db2.gz IZZWGLGCUWZQHS-UHFFFAOYSA-N 1 0 219.071 2.308 40 0 BEABRO [NH2+]=C1CCCN1C[C@H](O)c1ccc(Cl)cc1 ZINC000026506909 181206716 /nfs/dbraw/zinc/20/67/16/181206716.db2.gz FKJNPJSKYNGTLZ-NSHDSACASA-N 1 0 238.718 2.446 40 0 BEABRO NC(=O)[C@H](CC[NH+]1CCCCC1)c1ccccc1 ZINC000002042921 181276660 /nfs/dbraw/zinc/27/66/60/181276660.db2.gz HASMTRUBBJZEGO-CQSZACIVSA-N 1 0 246.354 2.132 40 0 BEABRO CCC[NH2+]Cc1cccc(C(=O)OCC)c1 ZINC000685936927 538758905 /nfs/dbraw/zinc/75/89/05/538758905.db2.gz CPGBVDCUDBRXMQ-UHFFFAOYSA-N 1 0 221.300 2.363 40 0 BEABRO Fc1cccc(COC[C@@H]2CCCC[NH2+]2)c1 ZINC000028521890 357151756 /nfs/dbraw/zinc/15/17/56/357151756.db2.gz ZTGDJFVNWWUSLN-ZDUSSCGKSA-N 1 0 223.291 2.484 40 0 BEABRO CC[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000067801228 357344217 /nfs/dbraw/zinc/34/42/17/357344217.db2.gz QKIUAJDCHRNBFR-UHFFFAOYSA-N 1 0 242.363 2.243 40 0 BEABRO Cc1ccc(C[N@@H+]2CC[C@H](c3nnc(C)o3)C2)o1 ZINC000049169220 358062836 /nfs/dbraw/zinc/06/28/36/358062836.db2.gz JWJBTMNFXARLGB-NSHDSACASA-N 1 0 247.298 2.269 40 0 biogenic,in-vitro BEABRO CC(C)C[N@@H+]1CC[C@H](c2nc3cccnc3[nH]2)C1 ZINC000049168804 358063032 /nfs/dbraw/zinc/06/30/32/358063032.db2.gz GQYGZWCYWUYYCS-NSHDSACASA-N 1 0 244.342 2.403 40 0 biogenic,in-vitro BEABRO Clc1ccc([C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cn1 ZINC000000967913 358111067 /nfs/dbraw/zinc/11/10/67/358111067.db2.gz NLPRAJRHRHZCQQ-UTLUCORTSA-N 1 0 208.692 2.343 40 0 in-vitro BEABRO CNC(=O)C[C@H](c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000072208330 259523754 /nfs/dbraw/zinc/52/37/54/259523754.db2.gz GINGSGJMUDUGCH-ZIAGYGMSSA-N 1 0 246.354 2.048 40 0 BEABRO [NH3+]C1(CNC(=O)OCc2ccccc2)CCCC1 ZINC000096295500 181330691 /nfs/dbraw/zinc/33/06/91/181330691.db2.gz XYDOETUKOGBOFF-UHFFFAOYSA-N 1 0 248.326 2.184 40 0 BEABRO CC[N@@H+]1CCC[C@@H]1c1cccnc1N(C)C ZINC000072212647 259526642 /nfs/dbraw/zinc/52/66/42/259526642.db2.gz PKMRIPPCDMBKPJ-GFCCVEGCSA-N 1 0 219.332 2.304 40 0 BEABRO c1cc(N2CCCC2)ncc1[C@H]1CCCC[NH2+]1 ZINC000072215935 259528167 /nfs/dbraw/zinc/52/81/67/259528167.db2.gz ORWCCQFFUXXYOC-CYBMUJFWSA-N 1 0 231.343 2.496 40 0 BEABRO COc1ncc([C@H]2CCCC[NH2+]2)cc1C ZINC000072217734 259529130 /nfs/dbraw/zinc/52/91/30/259529130.db2.gz MPUFJIBZIBBTIY-LLVKDONJSA-N 1 0 206.289 2.213 40 0 BEABRO CNc1cc(C)c([C@@H]2CCCC[NH2+]2)cn1 ZINC000072219052 259530586 /nfs/dbraw/zinc/53/05/86/259530586.db2.gz KBAIRPYVRKRJSD-NSHDSACASA-N 1 0 205.305 2.246 40 0 BEABRO [NH3+]CC1(c2ccccc2OC(F)F)CC1 ZINC000089261722 181362418 /nfs/dbraw/zinc/36/24/18/181362418.db2.gz LWIHYAFMORJEOW-UHFFFAOYSA-N 1 0 213.227 2.278 40 0 BEABRO [NH3+]CCN(Cc1ccc(Cl)cc1)C1CC1 ZINC000032014910 181390084 /nfs/dbraw/zinc/39/00/84/181390084.db2.gz VCHKXVRQPIRIAK-UHFFFAOYSA-N 1 0 224.735 2.263 40 0 BEABRO FC(F)(F)c1ccccc1C[C@@H]1C[NH2+]CCO1 ZINC000116503467 370792085 /nfs/dbraw/zinc/79/20/85/370792085.db2.gz NQQMONYJRRXYEH-SNVBAGLBSA-N 1 0 245.244 2.236 40 0 BEABRO [NH3+]CCc1nc(-c2c(F)cccc2Cl)no1 ZINC000020268688 181413537 /nfs/dbraw/zinc/41/35/37/181413537.db2.gz GHHLUABIQYHQQY-UHFFFAOYSA-N 1 0 241.653 2.030 40 0 BEABRO [NH3+]C[C@@H](c1ccccn1)c1ccccc1F ZINC000032013102 181426143 /nfs/dbraw/zinc/42/61/43/181426143.db2.gz QAXTUYJBHKSPKK-LLVKDONJSA-N 1 0 216.259 2.311 40 0 BEABRO [NH3+]Cc1cc2cc(F)ccc2nc1Cl ZINC000257842530 541485056 /nfs/dbraw/zinc/48/50/56/541485056.db2.gz CCRYLHNEDLPMPS-UHFFFAOYSA-N 1 0 210.639 2.486 40 0 BEABRO C[C@@H]1CN(c2ccc(Cl)cc2N)C[C@H](C)[NH2+]1 ZINC000015417887 368319403 /nfs/dbraw/zinc/31/94/03/368319403.db2.gz QESTVEVMZBMELA-DTORHVGOSA-N 1 0 239.750 2.109 40 0 BEABRO CC[NH+](CC)C[C@H]1COc2ccccc2O1 ZINC000000000674 368474081 /nfs/dbraw/zinc/47/40/81/368474081.db2.gz BGWGNDUTMDMIKZ-NSHDSACASA-N 1 0 221.300 2.168 40 0 BEABRO [NH3+]C[C@@]1(CO)C[C@@H]1c1cccc(Cl)c1Cl ZINC000062713545 181440701 /nfs/dbraw/zinc/44/07/01/181440701.db2.gz MJDQUHRGPPKQNS-LDYMZIIASA-N 1 0 246.137 2.418 40 0 BEABRO [NH3+]C[C@@]1(CO)C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000062713757 181441782 /nfs/dbraw/zinc/44/17/82/181441782.db2.gz VNCYDWKHUUKZGP-WDEREUQCSA-N 1 0 246.137 2.418 40 0 BEABRO CC[NH2+]Cc1c(Cl)nc2sc(C)cn12 ZINC000256052971 370636646 /nfs/dbraw/zinc/63/66/46/370636646.db2.gz PKOMMCHERPRXTI-UHFFFAOYSA-N 1 0 229.736 2.467 40 0 BEABRO [NH3+][C@@]12C[C@@H]1CN(Cc1ccc(Cl)c(F)c1)C2 ZINC000247692727 181605152 /nfs/dbraw/zinc/60/51/52/181605152.db2.gz XHWADQIBDOKNPJ-BXKDBHETSA-N 1 0 240.709 2.012 40 0 BEABRO C[C@@H]1O[C@@H]2C[C@@H](C(F)(F)F)C[C@@H]([NH3+])[C@@H]2[C@@H]1C ZINC000225763235 371574520 /nfs/dbraw/zinc/57/45/20/371574520.db2.gz CZVKMVVAGFXBBQ-RZOIJWCNSA-N 1 0 237.265 2.326 40 0 BEABRO FCCOc1ccc(C[NH2+]C2CC2)cc1 ZINC000087774240 205469641 /nfs/dbraw/zinc/46/96/41/205469641.db2.gz DNOJJIHCQXPUTF-UHFFFAOYSA-N 1 0 209.264 2.287 40 0 BEABRO O=C(NC[C@@H]1CCCC[NH2+]1)OCc1ccccc1 ZINC000039951989 182223119 /nfs/dbraw/zinc/22/31/19/182223119.db2.gz BHVZGRBXEXJUCP-ZDUSSCGKSA-N 1 0 248.326 2.055 40 0 BEABRO O=C(Nc1ccccc1Cl)C1CC[NH2+]CC1 ZINC000019413223 182378397 /nfs/dbraw/zinc/37/83/97/182378397.db2.gz NJLSEAABSPPCBY-UHFFFAOYSA-N 1 0 238.718 2.278 40 0 BEABRO O=C1c2ccccc2CC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000019375175 182845848 /nfs/dbraw/zinc/84/58/48/182845848.db2.gz HDNRBVRWENYZLC-STQMWFEESA-N 1 0 215.296 2.184 40 0 BEABRO OCCc1cc([C@H]2CCC[N@@H+]2C2CCCC2)[nH]n1 ZINC000257248461 183100117 /nfs/dbraw/zinc/10/01/17/183100117.db2.gz JDTIAEWUOLVKHU-CQSZACIVSA-N 1 0 249.358 2.024 40 0 BEABRO O[C@@H]1C[NH2+]CC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000003080601 183208539 /nfs/dbraw/zinc/20/85/39/183208539.db2.gz GRVSNFYUBFPYMK-WDEREUQCSA-N 1 0 245.244 2.143 40 0 BEABRO CCC[N@H+](C)C[C@H]1Cc2ccccc2N1 ZINC000087655863 169077776 /nfs/dbraw/zinc/07/77/76/169077776.db2.gz LAIZUVWRYCXFGQ-GFCCVEGCSA-N 1 0 204.317 2.365 40 0 BEABRO O[C@@H]1[C@@H]2CC[C@H]1CC[C@@H]2[NH+]1CCCCC1 ZINC000001209687 183249477 /nfs/dbraw/zinc/24/94/77/183249477.db2.gz OTFFUZVPVSDGHV-RNJOBUHISA-N 1 0 209.333 2.022 40 0 BEABRO O[C@@H]1[C@@H]2CCC[C@H]1CC[C@@H]2[NH+]1CCCC1 ZINC000000185896 183249559 /nfs/dbraw/zinc/24/95/59/183249559.db2.gz KEVUJQHBGRUWPR-RNJOBUHISA-N 1 0 209.333 2.022 40 0 BEABRO O=C1CN(Cc2ccc(Cl)cc2Cl)N=[O+]1 ZINC000001684521 183255087 /nfs/dbraw/zinc/25/50/87/183255087.db2.gz ITKGQHSDJKLKST-UHFFFAOYSA-O 1 0 246.073 2.023 40 0 BEABRO CCCN(Cc1ccco1)C[C@H]1CCC[NH2+]1 ZINC000096523691 169179905 /nfs/dbraw/zinc/17/99/05/169179905.db2.gz GWHRKSFZGOBTTK-GFCCVEGCSA-N 1 0 222.332 2.244 40 0 BEABRO c1cc(-c2nc(CC3CC[NH2+]CC3)no2)cs1 ZINC000096511458 183330955 /nfs/dbraw/zinc/33/09/55/183330955.db2.gz BJHVMMQDSDIEEF-UHFFFAOYSA-N 1 0 249.339 2.340 40 0 BEABRO CCC[N@@H+]1CCO[C@@H]2c3cc(O)ccc3CC[C@H]21 ZINC000022064446 169204994 /nfs/dbraw/zinc/20/49/94/169204994.db2.gz JCSREICEMHWFAY-HUUCEWRRSA-N 1 0 247.338 2.490 40 0 in-man BEABRO CCC[N@@H+]1CC[C@]2(C)[C@H]1CCCCC(=O)N2C ZINC000257224778 169208165 /nfs/dbraw/zinc/20/81/65/169208165.db2.gz FDHQYJBJTRERED-TZMCWYRMSA-N 1 0 238.375 2.262 40 0 BEABRO c1cc2c(s1)CC[NH2+][C@H]2COCC1CC1 ZINC000096526592 183372971 /nfs/dbraw/zinc/37/29/71/183372971.db2.gz HWVGGMRNIODNRW-NSHDSACASA-N 1 0 223.341 2.362 40 0 BEABRO c1cc[n+](Cc2cccc3nsnc32)cc1 ZINC000001504075 183378713 /nfs/dbraw/zinc/37/87/13/183378713.db2.gz NMDCVJBYVLWFLL-UHFFFAOYSA-N 1 0 228.300 2.027 40 0 BEABRO c1cc([C@@H]2CCC[NH2+]C2)n(C2CCC2)n1 ZINC000096509754 183362382 /nfs/dbraw/zinc/36/23/82/183362382.db2.gz SATHZSSEKZVQIS-SNVBAGLBSA-N 1 0 205.305 2.075 40 0 BEABRO c1coc(C[NH2+]CCc2ccccn2)c1 ZINC000019916473 183392590 /nfs/dbraw/zinc/39/25/90/183392590.db2.gz YWXVVNIDMJBPNK-UHFFFAOYSA-N 1 0 202.257 2.007 40 0 in-vitro BEABRO CCC[NH2+]Cc1cc(C)n(CCOC)c1C ZINC000223660247 169265969 /nfs/dbraw/zinc/26/59/69/169265969.db2.gz LINLJCLEIVURQU-UHFFFAOYSA-N 1 0 224.348 2.251 40 0 BEABRO c1cc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)n[nH]1 ZINC000072187691 183398937 /nfs/dbraw/zinc/39/89/37/183398937.db2.gz OKLKRMMFDLHIAK-LBPRGKRZSA-N 1 0 242.326 2.184 40 0 BEABRO c1ccc(CN2CC[NH2+]CC23CCC3)cc1 ZINC000306145478 183399344 /nfs/dbraw/zinc/39/93/44/183399344.db2.gz GMZDFNQLRIRIFI-UHFFFAOYSA-N 1 0 216.328 2.015 40 0 BEABRO CCC[NH2+][C@@H]1CCc2c(O)cccc2C1 ZINC000013759798 169283158 /nfs/dbraw/zinc/28/31/58/169283158.db2.gz VCYPZWCFSAHTQT-LLVKDONJSA-N 1 0 205.301 2.249 40 0 world BEABRO CCC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](C)C1 ZINC000022538666 169346269 /nfs/dbraw/zinc/34/62/69/169346269.db2.gz KXYNBVINDFDWQW-MNOVXSKESA-N 1 0 213.321 2.060 40 0 BEABRO CCC[C@@H]([NH3+])P(=O)(OCC)OCC ZINC000001707651 169393132 /nfs/dbraw/zinc/39/31/32/169393132.db2.gz KVHJLSZFDBFTDS-QMMMGPOBSA-N 1 0 209.226 2.337 40 0 BEABRO [NH3+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000035154829 383838736 /nfs/dbraw/zinc/83/87/36/383838736.db2.gz KXBYBKPFGPHRKC-UHFFFAOYSA-N 1 0 208.261 2.408 40 0 BEABRO Cc1ccnc(N(C)CC[NH+]2CCCCC2)c1 ZINC000001602384 383911313 /nfs/dbraw/zinc/91/13/13/383911313.db2.gz FTMMMZOCLMTVPM-UHFFFAOYSA-N 1 0 233.359 2.312 40 0 BEABRO CC(=O)c1ccc[n+](Cc2ccccc2)c1 ZINC000001682950 383923740 /nfs/dbraw/zinc/92/37/40/383923740.db2.gz AZRPGYHDNLNRGH-UHFFFAOYSA-N 1 0 212.272 2.225 40 0 BEABRO CCCC[NH+](CCCC)CC1OCCO1 ZINC000001734077 383934048 /nfs/dbraw/zinc/93/40/48/383934048.db2.gz ZXOKTEZNWMLANU-UHFFFAOYSA-N 1 0 215.337 2.262 40 0 BEABRO Cc1ccc([C@@H](C[NH3+])N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000022166919 383984441 /nfs/dbraw/zinc/98/44/41/383984441.db2.gz JIDRSRYRCNYOIG-UMVBOHGHSA-N 1 0 248.370 2.104 40 0 BEABRO CCCCOC(OCCCC)[C@@H](C)[NH3+] ZINC000002042291 383947334 /nfs/dbraw/zinc/94/73/34/383947334.db2.gz WQIXGBHYNSNMOL-SNVBAGLBSA-N 1 0 203.326 2.293 40 0 BEABRO C[C@H](C[NH3+])Cc1ccc(OC(F)F)cc1 ZINC000089263504 383956940 /nfs/dbraw/zinc/95/69/40/383956940.db2.gz LYUHRGLMCOWUGA-QMMMGPOBSA-N 1 0 215.243 2.425 40 0 BEABRO [NH3+]CCc1nc(-c2ccc(F)cc2)cs1 ZINC000003708156 384024803 /nfs/dbraw/zinc/02/48/03/384024803.db2.gz UEERZHVWQHKGRG-UHFFFAOYSA-N 1 0 222.288 2.450 40 0 BEABRO [NH3+][C@@H](c1cccc(F)c1)C1CCOCC1 ZINC000068956932 384025077 /nfs/dbraw/zinc/02/50/77/384025077.db2.gz ZTBOQGBLGPVUBW-GFCCVEGCSA-N 1 0 209.264 2.252 40 0 BEABRO CCOC(=O)C[C@H](C(C)C)[NH+]1CCCC1 ZINC000070823508 384042443 /nfs/dbraw/zinc/04/24/43/384042443.db2.gz DCNSLTXFAAPJQJ-LLVKDONJSA-N 1 0 213.321 2.060 40 0 BEABRO CC[C@@H](C[NH+](C)C)C(=O)c1ccccc1 ZINC000004765057 384081287 /nfs/dbraw/zinc/08/12/87/384081287.db2.gz OLCRURYNYDPVOI-NSHDSACASA-N 1 0 205.301 2.457 40 0 BEABRO C[n+]1ccccc1-c1nc2ccccc2[nH]1 ZINC000005401061 384116360 /nfs/dbraw/zinc/11/63/60/384116360.db2.gz MJACORQXBMRNRA-UHFFFAOYSA-O 1 0 210.260 2.054 40 0 BEABRO C[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@H](C)C[NH2+]1 ZINC000005722264 384126531 /nfs/dbraw/zinc/12/65/31/384126531.db2.gz FKYVJLAHWSGDPJ-WZRBSPASSA-N 1 0 233.311 2.230 40 0 BEABRO CC(C)N(C[C@H]1CCC[NH2+]1)C(=O)OC(C)(C)C ZINC000079437636 384146779 /nfs/dbraw/zinc/14/67/79/384146779.db2.gz CKOJRNZJECKZBJ-LLVKDONJSA-N 1 0 242.363 2.384 40 0 BEABRO CC[C@@H](CO)[NH2+]C/C=C/c1ccccc1 ZINC000006541096 384158805 /nfs/dbraw/zinc/15/88/05/384158805.db2.gz DFLZFWRORFEHIO-PPGNKHEKSA-N 1 0 205.301 2.060 40 0 BEABRO CCCC[NH2+]Cc1ccc2c(c1)OCO2 ZINC000007261721 384176315 /nfs/dbraw/zinc/17/63/15/384176315.db2.gz KROMMYPARAZRAZ-UHFFFAOYSA-N 1 0 207.273 2.305 40 0 BEABRO Cc1nccn1-c1cccc([C@@H]2CCC[NH2+]C2)n1 ZINC000072344157 384207728 /nfs/dbraw/zinc/20/77/28/384207728.db2.gz IWAXLLIJRVKGKT-GFCCVEGCSA-N 1 0 242.326 2.043 40 0 BEABRO C[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072207698 384200116 /nfs/dbraw/zinc/20/01/16/384200116.db2.gz LMCCXEPTKNFYKP-JTQLQIEISA-N 1 0 242.363 2.241 40 0 BEABRO CC(C)(C)C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000072361188 384214380 /nfs/dbraw/zinc/21/43/80/384214380.db2.gz GHDVTILPRXTRDS-LLVKDONJSA-N 1 0 248.374 2.284 40 0 BEABRO Cc1cncnc1[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000072361348 384214448 /nfs/dbraw/zinc/21/44/48/384214448.db2.gz CLSYORIRJMMJNO-ZDUSSCGKSA-N 1 0 231.343 2.374 40 0 BEABRO Cc1c[nH]nc1[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000072381924 384216461 /nfs/dbraw/zinc/21/64/61/384216461.db2.gz VPFCUMNUBKIIQW-GFCCVEGCSA-N 1 0 249.358 2.077 40 0 BEABRO Cc1cc(C)c2cc3c(nc2c1)OCC[NH2+]C3 ZINC000072373423 384218158 /nfs/dbraw/zinc/21/81/58/384218158.db2.gz UDHJEWBDDDGFBW-UHFFFAOYSA-N 1 0 228.295 2.334 40 0 BEABRO CCOc1ccc2ncc(C[NH3+])cc2c1 ZINC000072226733 384254487 /nfs/dbraw/zinc/25/44/87/384254487.db2.gz MOBUGRSAYCUBQC-UHFFFAOYSA-N 1 0 202.257 2.092 40 0 BEABRO [NH3+]CCCc1ccc(OC(F)F)cc1 ZINC000043559350 384283377 /nfs/dbraw/zinc/28/33/77/384283377.db2.gz LLEXGVGLMIINND-UHFFFAOYSA-N 1 0 201.216 2.179 40 0 BEABRO Cc1ccc2c(c1)C1(CC[NH2+]CC1)OC2 ZINC000095093231 384363831 /nfs/dbraw/zinc/36/38/31/384363831.db2.gz UORSZPLICSVXOA-UHFFFAOYSA-N 1 0 203.285 2.104 40 0 BEABRO COC(=O)/C=C\c1ccc(Cn2ccnc2)cc1 ZINC000095936201 384414848 /nfs/dbraw/zinc/41/48/48/384414848.db2.gz FTLRFDGBBQSQMJ-SREVYHEPSA-N 1 0 242.278 2.118 40 0 BEABRO COc1ccc(C[C@H]2C[N@@H+](C)CC[C@@H]2OC)cc1 ZINC000096110579 384433214 /nfs/dbraw/zinc/43/32/14/384433214.db2.gz JTUOXRAFRPPPHU-ZFWWWQNUSA-N 1 0 249.354 2.204 40 0 BEABRO CC1CCN(c2cc(C3CC3)[nH+]c(N)n2)CC1 ZINC000078404608 384442038 /nfs/dbraw/zinc/44/20/38/384442038.db2.gz JWWJZGSHLVOVFE-UHFFFAOYSA-N 1 0 232.331 2.173 40 0 BEABRO CCCn1ccc([C@H](C)[NH2+]CCOC)c1 ZINC000078406135 384443575 /nfs/dbraw/zinc/44/35/75/384443575.db2.gz UJSFNYZQDKETNA-NSHDSACASA-N 1 0 210.321 2.195 40 0 BEABRO Nc1nc(N2CCCCCC2)cc(C2CC2)[nH+]1 ZINC000078404618 384444010 /nfs/dbraw/zinc/44/40/10/384444010.db2.gz WHUHSLMKZKCQCZ-UHFFFAOYSA-N 1 0 232.331 2.317 40 0 BEABRO CN(c1ncc(Cl)cc1Cl)C1CC([NH3+])C1 ZINC000335661443 384464177 /nfs/dbraw/zinc/46/41/77/384464177.db2.gz SKVNHNOUURJBLB-UHFFFAOYSA-N 1 0 246.141 2.314 40 0 BEABRO c1cncc(-c2nccc(C[NH+]3CCCC3)n2)c1 ZINC000019341319 384516454 /nfs/dbraw/zinc/51/64/54/384516454.db2.gz IBZLTULKNNORDM-UHFFFAOYSA-N 1 0 240.310 2.134 40 0 BEABRO CCc1cccc2cc3c(nc21)OCC[NH2+]C3 ZINC000019523035 384528274 /nfs/dbraw/zinc/52/82/74/384528274.db2.gz VKAANPQTVOPQEW-UHFFFAOYSA-N 1 0 228.295 2.279 40 0 BEABRO [NH3+][C@H](c1cccnc1Br)C1CC1 ZINC000095682563 384585909 /nfs/dbraw/zinc/58/59/09/384585909.db2.gz VMEPWHBKQFRJKX-QMMMGPOBSA-N 1 0 227.105 2.254 40 0 BEABRO C[C@](CN)(c1cccs1)[NH+]1CCCC1 ZINC000070453216 384563772 /nfs/dbraw/zinc/56/37/72/384563772.db2.gz MFDGROLEJWSDAG-NSHDSACASA-N 1 0 210.346 2.018 40 0 BEABRO C[C@@H](NC(=O)[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000082306123 384662943 /nfs/dbraw/zinc/66/29/43/384662943.db2.gz KPIJBNIEQKRTLM-OCCSQVGLSA-N 1 0 246.354 2.206 40 0 BEABRO CCn1nc(N)cc1C[N@H+](C)C1CCCCC1 ZINC000408717247 384704221 /nfs/dbraw/zinc/70/42/21/384704221.db2.gz XKCISUPUONGMHW-UHFFFAOYSA-N 1 0 236.363 2.080 40 0 BEABRO Fc1ncccc1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000096311712 384879582 /nfs/dbraw/zinc/87/95/82/384879582.db2.gz OXLNXIYQVWTNFW-PBINXNQUSA-N 1 0 206.264 2.219 40 0 BEABRO c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000038844835 384883356 /nfs/dbraw/zinc/88/33/56/384883356.db2.gz FWPBWDMKQQRHHZ-BETUJISGSA-N 1 0 203.285 2.050 40 0 BEABRO [NH3+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000026895745 384887924 /nfs/dbraw/zinc/88/79/24/384887924.db2.gz CFNAMLAVUTUGPM-VIFPVBQESA-N 1 0 220.099 2.376 40 0 BEABRO [NH3+]C[C@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC000054586834 384842797 /nfs/dbraw/zinc/84/27/97/384842797.db2.gz YLAYUIMEMDLUBM-SCZZXKLOSA-N 1 0 213.227 2.350 40 0 BEABRO CCOc1ccccc1[C@H]1C[C@H]1C[NH2+]C ZINC000054588683 384843725 /nfs/dbraw/zinc/84/37/25/384843725.db2.gz RIUBOBWEODBZEH-JQWIXIFHSA-N 1 0 205.301 2.408 40 0 BEABRO FCCOc1cccc(C[NH2+]C2CC2)c1 ZINC000087774262 384847741 /nfs/dbraw/zinc/84/77/41/384847741.db2.gz HJGUSJNTOBDBAU-UHFFFAOYSA-N 1 0 209.264 2.287 40 0 BEABRO CO[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000062711406 384849134 /nfs/dbraw/zinc/84/91/34/384849134.db2.gz DGOLESSIGARASK-ZDUSSCGKSA-N 1 0 201.269 2.486 40 0 BEABRO CO[C@@H](C[NH3+])c1cccc2ccccc21 ZINC000062711392 384849177 /nfs/dbraw/zinc/84/91/77/384849177.db2.gz YWBSFIWNDVVIKR-ZDUSSCGKSA-N 1 0 201.269 2.486 40 0 BEABRO CO[C@H](C[NH3+])c1cccc2ccccc21 ZINC000062711395 384850236 /nfs/dbraw/zinc/85/02/36/384850236.db2.gz YWBSFIWNDVVIKR-CYBMUJFWSA-N 1 0 201.269 2.486 40 0 BEABRO CC(C)[C@H]([NH3+])CN(C)CCc1ccccc1 ZINC000083852840 384912392 /nfs/dbraw/zinc/91/23/92/384912392.db2.gz GDFRWCWKZQLZAW-CQSZACIVSA-N 1 0 220.360 2.144 40 0 BEABRO Cc1c[nH+]c(N2C[C@@H](C)C[C@H](C)C2)c(N)c1 ZINC000085425126 384944441 /nfs/dbraw/zinc/94/44/41/384944441.db2.gz KVKOJSQHWRZHQZ-QWRGUYRKSA-N 1 0 219.332 2.455 40 0 BEABRO C[C@]12CC[C@@H]3C[C@@]1(CCC[NH3+])OC[C@@]32C ZINC000583929826 384975800 /nfs/dbraw/zinc/97/58/00/384975800.db2.gz MXLAHXPMNMBDKB-YVECIDJPSA-N 1 0 209.333 2.321 40 0 BEABRO [NH3+][C@H]1CC[C@H](N2Cc3cc(F)ccc3C2=O)CC1 ZINC000255188685 384995721 /nfs/dbraw/zinc/99/57/21/384995721.db2.gz KVDUEXIXPTYBQH-HAQNSBGRSA-N 1 0 248.301 2.051 40 0 BEABRO FC(F)(F)c1ccc(C[C@H]2C[NH2+]CCO2)cc1 ZINC000071559590 385052244 /nfs/dbraw/zinc/05/22/44/385052244.db2.gz MQDHOZCYVUDXDY-NSHDSACASA-N 1 0 245.244 2.236 40 0 BEABRO c1cc(NC2CC2)ncc1[C@H]1CCCC[NH2+]1 ZINC000072213791 385084217 /nfs/dbraw/zinc/08/42/17/385084217.db2.gz GKPRFMCAHAATNL-GFCCVEGCSA-N 1 0 217.316 2.471 40 0 BEABRO CC[C@H]([NH3+])[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072208641 385061645 /nfs/dbraw/zinc/06/16/45/385061645.db2.gz VXVKOWIGVDIUNF-UWVGGRQHSA-N 1 0 228.336 2.123 40 0 BEABRO CC[C@@H]1[NH2+]CCC[C@H]1[C@H](O)c1ccccc1 ZINC000095095230 385071042 /nfs/dbraw/zinc/07/10/42/385071042.db2.gz HTUWJVPCNGAXBL-HZSPNIEDSA-N 1 0 219.328 2.498 40 0 BEABRO CCC[N@@H+]1CCC[C@@H]1c1cccnc1N ZINC000072212419 385076042 /nfs/dbraw/zinc/07/60/42/385076042.db2.gz IUUKMKSRWHYBGQ-LLVKDONJSA-N 1 0 205.305 2.211 40 0 BEABRO c1cc(NC2CC2)ncc1C1=[NH+]CCC1 ZINC000072213759 385083000 /nfs/dbraw/zinc/08/30/00/385083000.db2.gz YGXZNAHHFHSZMX-UHFFFAOYSA-N 1 0 201.273 2.239 40 0 BEABRO CC1(C)C=C([NH2+]C[C@H]2CCCO2)CC(=O)C1 ZINC000105028165 385030626 /nfs/dbraw/zinc/03/06/26/385030626.db2.gz LLXNVKOYNFZVQB-GFCCVEGCSA-N 1 0 223.316 2.028 40 0 BEABRO C[C@@H]([NH3+])c1ccc(N2CCCCCC2)nc1 ZINC000072225475 385107953 /nfs/dbraw/zinc/10/79/53/385107953.db2.gz LYGULMRXVXTWAJ-LLVKDONJSA-N 1 0 219.332 2.482 40 0 BEABRO COc1cccc(OC)c1[C@@H]1CCC[N@@H+]1C ZINC000072221406 385108250 /nfs/dbraw/zinc/10/82/50/385108250.db2.gz USACXLUEJHRHBS-JTQLQIEISA-N 1 0 221.300 2.471 40 0 BEABRO Cc1cc(NCc2ccccc2)ncc1C[NH3+] ZINC000072223364 385113633 /nfs/dbraw/zinc/11/36/33/385113633.db2.gz CZVFWZVZYZSVRS-UHFFFAOYSA-N 1 0 227.311 2.461 40 0 BEABRO CC[C@H]([NH3+])c1ccc(N(C)CC)nc1C ZINC000072224285 385117022 /nfs/dbraw/zinc/11/70/22/385117022.db2.gz WMWJWOGONAWLLW-NSHDSACASA-N 1 0 207.321 2.256 40 0 BEABRO CC[C@H]([NH3+])c1ccc(N2CCCC2)nc1C ZINC000072224525 385117929 /nfs/dbraw/zinc/11/79/29/385117929.db2.gz XTRIUFJGNYLUFC-LBPRGKRZSA-N 1 0 219.332 2.400 40 0 BEABRO COc1ncc([C@@H]2CCC[N@@H+]2C)cc1C ZINC000072217706 385091402 /nfs/dbraw/zinc/09/14/02/385091402.db2.gz NPDBNJLQYSNVAY-NSHDSACASA-N 1 0 206.289 2.165 40 0 BEABRO Cc1cc(N(C)C)ncc1[C@@H]1CCC[N@@H+]1C ZINC000072218665 385100021 /nfs/dbraw/zinc/10/00/21/385100021.db2.gz FEHBFAWECJCHDF-LBPRGKRZSA-N 1 0 219.332 2.223 40 0 BEABRO CNc1ncc([C@H]2CCCC[NH2+]2)cc1C ZINC000072218993 385104492 /nfs/dbraw/zinc/10/44/92/385104492.db2.gz ZERFZCSSQQKWBJ-LLVKDONJSA-N 1 0 205.305 2.246 40 0 BEABRO Cc1ccc([C@@H](O)C2(C[NH3+])CC(C)C2)s1 ZINC000085395947 385159522 /nfs/dbraw/zinc/15/95/22/385159522.db2.gz UHOQGWATBWHJQM-BYIYDRLASA-N 1 0 225.357 2.465 40 0 BEABRO [NH3+][C@H]1CCN(Cc2ccc(F)cc2Cl)C1 ZINC000050242677 385305961 /nfs/dbraw/zinc/30/59/61/385305961.db2.gz YEWHSMVPJRZRQB-JTQLQIEISA-N 1 0 228.698 2.012 40 0 BEABRO [NH3+]CCn1nccc1-c1ccc(Cl)cc1 ZINC000096527691 385272487 /nfs/dbraw/zinc/27/24/87/385272487.db2.gz RNTKEWPIHWLPPP-UHFFFAOYSA-N 1 0 221.691 2.162 40 0 BEABRO CCc1ccc(N2CC[C@@H](OCCC[NH3+])C2)cc1 ZINC000096528384 385275112 /nfs/dbraw/zinc/27/51/12/385275112.db2.gz IOVVMYBDJTUSHB-OAHLLOKOSA-N 1 0 248.370 2.193 40 0 BEABRO C[NH+](C)CC[C@H](N)c1ccc(Cl)cc1 ZINC000020273986 385514678 /nfs/dbraw/zinc/51/46/78/385514678.db2.gz BHCWWKIOLOCHRY-NSHDSACASA-N 1 0 212.724 2.292 40 0 BEABRO CC(C)Cn1cc([C@H](O)C[NH3+])c2ccccc21 ZINC000095098371 385489613 /nfs/dbraw/zinc/48/96/13/385489613.db2.gz NHUCWZGNJGYWSZ-CQSZACIVSA-N 1 0 232.327 2.289 40 0 BEABRO CC(C)(C)c1c[nH]c([C@H]2CCC[NH2+]C2)n1 ZINC000036876494 385588957 /nfs/dbraw/zinc/58/89/57/385588957.db2.gz XHHAAZCVMGMFLR-VIFPVBQESA-N 1 0 207.321 2.174 40 0 BEABRO CCO[C@H](C[NH3+])c1cc(F)ccc1F ZINC000062711907 385690513 /nfs/dbraw/zinc/69/05/13/385690513.db2.gz CMTLUWBAVRYCDS-SNVBAGLBSA-N 1 0 201.216 2.001 40 0 BEABRO CCO[C@H](C[NH3+])c1ccc(F)cc1F ZINC000062711912 385692267 /nfs/dbraw/zinc/69/22/67/385692267.db2.gz CJDWEDMCTZKSBO-SNVBAGLBSA-N 1 0 201.216 2.001 40 0 BEABRO FC(F)(F)c1ccc(OCC2C[NH2+]C2)cc1 ZINC000038580835 385670759 /nfs/dbraw/zinc/67/07/59/385670759.db2.gz PTVCNPRAYGUBRB-UHFFFAOYSA-N 1 0 231.217 2.304 40 0 BEABRO C[N@@H+]1CCC[C@@H](Cc2cncc(Cl)n2)CC1 ZINC000257240828 385754947 /nfs/dbraw/zinc/75/49/47/385754947.db2.gz HVINYWYRAUYZGI-SNVBAGLBSA-N 1 0 239.750 2.404 40 0 BEABRO Cc1c[nH]c([C@H]2CCCN(c3cc[nH+]cc3)C2)n1 ZINC000257293009 385761948 /nfs/dbraw/zinc/76/19/48/385761948.db2.gz QNUIBMQJISTPBG-LBPRGKRZSA-N 1 0 242.326 2.497 40 0 BEABRO C[NH2+][C@H]1CC[C@H](Cc2cccnc2)CC1 ZINC000257312688 385763742 /nfs/dbraw/zinc/76/37/42/385763742.db2.gz UPCNFUGRVLSIEE-AULYBMBSSA-N 1 0 204.317 2.402 40 0 BEABRO C[C@]12CC[N@@H+](C3CCCCC3)[C@H]1CCC(=O)N2 ZINC000257322218 385765391 /nfs/dbraw/zinc/76/53/91/385765391.db2.gz WFBDOUWWAFCJIJ-JSGCOSHPSA-N 1 0 236.359 2.062 40 0 BEABRO CCCNc1ncc(C[NH2+][C@H](C)CC)cn1 ZINC000062717694 385723557 /nfs/dbraw/zinc/72/35/57/385723557.db2.gz XAKWETVANRYRQR-SNVBAGLBSA-N 1 0 222.336 2.187 40 0 BEABRO c1cn(C2CC[NH2+]CC2)c(-c2ccccc2)n1 ZINC000043501221 385816751 /nfs/dbraw/zinc/81/67/51/385816751.db2.gz MQCFDCBQBNZUPP-UHFFFAOYSA-N 1 0 227.311 2.475 40 0 BEABRO COC(=O)c1ccc([C@H]2CCCC[NH2+]2)cc1 ZINC000022015315 385888644 /nfs/dbraw/zinc/88/86/44/385888644.db2.gz MCVNPUNNHRUTMY-GFCCVEGCSA-N 1 0 219.284 2.288 40 0 BEABRO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1C(C)(C)C ZINC000071863761 385880702 /nfs/dbraw/zinc/88/07/02/385880702.db2.gz OYUQSTKTENQARL-JTQLQIEISA-N 1 0 242.363 2.241 40 0 BEABRO [NH3+][C@@H]1CCNc2ccc(Br)cc21 ZINC000095742362 385883312 /nfs/dbraw/zinc/88/33/12/385883312.db2.gz ATLBJDKNFBCSSX-MRVPVSSYSA-N 1 0 227.105 2.265 40 0 BEABRO [NH3+]C[C@H](c1ccccn1)c1ccccc1F ZINC000032013103 385970957 /nfs/dbraw/zinc/97/09/57/385970957.db2.gz QAXTUYJBHKSPKK-NSHDSACASA-N 1 0 216.259 2.311 40 0 BEABRO C[NH2+][C@@H](CO)c1cc(Cl)cc(Cl)c1 ZINC000038121388 386124112 /nfs/dbraw/zinc/12/41/12/386124112.db2.gz LOBORLFPAAYCBR-VIFPVBQESA-N 1 0 220.099 2.246 40 0 BEABRO CCOc1cccc2c(NCC[NH3+])cc(C)nc12 ZINC000222690283 386059011 /nfs/dbraw/zinc/05/90/11/386059011.db2.gz QNOBQBLRLPNDCI-UHFFFAOYSA-N 1 0 245.326 2.313 40 0 BEABRO CCCC[NH2+]Cc1cccn1CCOC ZINC000223678337 386092415 /nfs/dbraw/zinc/09/24/15/386092415.db2.gz AWVPIAAXORMILK-UHFFFAOYSA-N 1 0 210.321 2.024 40 0 BEABRO CC[NH+]1CCN(c2cc(C)cc(C)c2N)CC1 ZINC000223777923 386099923 /nfs/dbraw/zinc/09/99/23/386099923.db2.gz AMJDAHXUZKZCRE-UHFFFAOYSA-N 1 0 233.359 2.028 40 0 BEABRO c1ccc(CCN2CC[NH2+][C@H]3CCC[C@H]32)cc1 ZINC000218840552 386184460 /nfs/dbraw/zinc/18/44/60/386184460.db2.gz YOPZJKSQSZBINE-LSDHHAIUSA-N 1 0 230.355 2.055 40 0 BEABRO C[C@H]([NH3+])[C@@H]1C[C@@H]1c1ccc2c(c1)CCO2 ZINC000037362451 386229326 /nfs/dbraw/zinc/22/93/26/386229326.db2.gz ATVUCOFCESBIAI-KPXOXKRLSA-N 1 0 203.285 2.072 40 0 BEABRO C[C@@H](NC[C@H]([NH3+])c1ccccc1)c1nccs1 ZINC000080310459 386239077 /nfs/dbraw/zinc/23/90/77/386239077.db2.gz XRLVYKCVJQZARP-PWSUYJOCSA-N 1 0 247.367 2.494 40 0 BEABRO Cc1c(F)cccc1N1CC[NH2+][C@H]2CCC[C@H]21 ZINC000218847411 386262284 /nfs/dbraw/zinc/26/22/84/386262284.db2.gz QINLAUWQAQYXRC-GXTWGEPZSA-N 1 0 234.318 2.465 40 0 BEABRO [NH3+][C@@H]1CCC[C@@H]1Nc1cc(F)ccc1F ZINC000218882436 386508035 /nfs/dbraw/zinc/50/80/35/386508035.db2.gz XCPUZSHCBZMRPF-ZJUUUORDSA-N 1 0 212.243 2.257 40 0 BEABRO [NH3+][C@@H]1CCC[C@H]1Nc1cc(F)cc(F)c1 ZINC000218883624 386510508 /nfs/dbraw/zinc/51/05/08/386510508.db2.gz JTSPYXFCIXDUNO-GHMZBOCLSA-N 1 0 212.243 2.257 40 0 BEABRO C[C@@H](N[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000218886447 386514321 /nfs/dbraw/zinc/51/43/21/386514321.db2.gz VJNYIIHZUKMQSU-KGYLQXTDSA-N 1 0 204.317 2.217 40 0 BEABRO c1nn(C2CCCC2)cc1C1CC[NH2+]CC1 ZINC000095097684 386983535 /nfs/dbraw/zinc/98/35/35/386983535.db2.gz VIDQQBCDATZQHT-UHFFFAOYSA-N 1 0 219.332 2.465 40 0 BEABRO c1ccc(C[C@@H]2[NH2+]CC[C@H]2OCC2CC2)cc1 ZINC000096261316 387026486 /nfs/dbraw/zinc/02/64/86/387026486.db2.gz GXJCMOGWNQVPJH-LSDHHAIUSA-N 1 0 231.339 2.386 40 0 BEABRO [NH3+]CCn1cc(-c2cccc(Cl)c2)cn1 ZINC000049818728 387085625 /nfs/dbraw/zinc/08/56/25/387085625.db2.gz LXWSBSRZBIWPPQ-UHFFFAOYSA-N 1 0 221.691 2.162 40 0 BEABRO CC(C)[NH+]1CCC(c2csc(N)n2)CC1 ZINC000072367737 387143189 /nfs/dbraw/zinc/14/31/89/387143189.db2.gz VQHHMSFIACOOKT-UHFFFAOYSA-N 1 0 225.361 2.313 40 0 BEABRO Clc1cccc(CNC2CC[NH2+]CC2)c1 ZINC000053148313 387512640 /nfs/dbraw/zinc/51/26/40/387512640.db2.gz NEYRJXZGVYSDKQ-UHFFFAOYSA-N 1 0 224.735 2.182 40 0 BEABRO C[NH2+][C@@H]1CCCN(Cc2ccc(C)cc2)C1 ZINC000053201461 387534762 /nfs/dbraw/zinc/53/47/62/387534762.db2.gz HQLQBBYPEOLREE-CQSZACIVSA-N 1 0 218.344 2.179 40 0 BEABRO FC(F)c1ccc(N2CC[NH2+]CC2)s1 ZINC000575629318 387827408 /nfs/dbraw/zinc/82/74/08/387827408.db2.gz QBNPZMXGEOAKHF-UHFFFAOYSA-N 1 0 218.272 2.095 40 0 BEABRO c1ccc2cc(CN3C[C@@H]4C[C@H]3C[NH2+]4)ccc2c1 ZINC000023292231 387849896 /nfs/dbraw/zinc/84/98/96/387849896.db2.gz MUILKDXYEHGAER-HOTGVXAUSA-N 1 0 238.334 2.386 40 0 BEABRO CCCC[NH2+]Cc1cnn(CC(C)C)c1 ZINC000134776807 387853496 /nfs/dbraw/zinc/85/34/96/387853496.db2.gz AZXDKQSFCKFSLM-UHFFFAOYSA-N 1 0 209.337 2.429 40 0 BEABRO CCCC[NH2+]Cc1ccn(CC(F)(F)F)n1 ZINC000256051626 387858580 /nfs/dbraw/zinc/85/85/80/387858580.db2.gz JXZATFJHUTZWEF-UHFFFAOYSA-N 1 0 235.253 2.335 40 0 BEABRO CC(C)CC[NH2+]Cc1ccnn1C(F)F ZINC000256052611 387859984 /nfs/dbraw/zinc/85/99/84/387859984.db2.gz OAGGJSPRYUVYLY-UHFFFAOYSA-N 1 0 217.263 2.414 40 0 BEABRO COc1ccc([C@@H](C[NH3+])N2CCC[C@@H](C)C2)cc1 ZINC000216076767 388352245 /nfs/dbraw/zinc/35/22/45/388352245.db2.gz JQNIKZXOVAYJTM-IUODEOHRSA-N 1 0 248.370 2.427 40 0 BEABRO CCc1ccccc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000038539482 388373720 /nfs/dbraw/zinc/37/37/20/388373720.db2.gz WWNBECQYYGDTBG-CQSZACIVSA-N 1 0 219.328 2.206 40 0 BEABRO [NH3+]C[C@H]1C[C@]12CCOc1ccc(Cl)cc12 ZINC000218685848 388391358 /nfs/dbraw/zinc/39/13/58/388391358.db2.gz OJTLHRANFACQCV-PRHODGIISA-N 1 0 223.703 2.339 40 0 BEABRO C[C@@H](O[C@H]1CC[NH2+]C1)c1cccnc1Cl ZINC000242750728 388400449 /nfs/dbraw/zinc/40/04/49/388400449.db2.gz ZXXKJEMOKZMKSL-BDAKNGLRSA-N 1 0 226.707 2.175 40 0 BEABRO c1ccc(CCN2CC[NH2+][C@@H]3CCC[C@H]32)cc1 ZINC000218840481 256852890 /nfs/dbraw/zinc/85/28/90/256852890.db2.gz YOPZJKSQSZBINE-HUUCEWRRSA-N 1 0 230.355 2.055 40 0 BEABRO CCC[C@@H]([NH2+]C)C(=O)c1ccc(F)cc1 ZINC000299817271 388618231 /nfs/dbraw/zinc/61/82/31/388618231.db2.gz QBFXBDUCRNGHSA-LLVKDONJSA-N 1 0 209.264 2.397 40 0 in-vitro BEABRO [NH3+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000008029000 388557746 /nfs/dbraw/zinc/55/77/46/388557746.db2.gz GMDBVPHSECPGQQ-CQSZACIVSA-N 1 0 243.306 2.052 40 0 BEABRO CC[C@@](C)(C(=O)OC)[N@@H+]1CCCC[C@H]1C ZINC000248210256 388675232 /nfs/dbraw/zinc/67/52/32/388675232.db2.gz CTPRENUGVAXXEO-PWSUYJOCSA-N 1 0 213.321 2.203 40 0 BEABRO CCCC[NH2+]CCCNc1nc(C)cc(C)n1 ZINC000062717885 388655757 /nfs/dbraw/zinc/65/57/57/388655757.db2.gz QGVNWRQNASLMCE-UHFFFAOYSA-N 1 0 236.363 2.285 40 0 BEABRO CCNc1ncc(C[NH2+]Cc2cccs2)cn1 ZINC000062717529 388656174 /nfs/dbraw/zinc/65/61/74/388656174.db2.gz BDTJQPZWUAZNSU-UHFFFAOYSA-N 1 0 248.355 2.260 40 0 BEABRO Cc1ccc(CN2CC[NH2+][C@H]3CCC[C@@H]32)cc1 ZINC000225715594 388826478 /nfs/dbraw/zinc/82/64/78/388826478.db2.gz SEBNHSQPYQEASB-GJZGRUSLSA-N 1 0 230.355 2.321 40 0 BEABRO COc1cccc([C@@H](C[NH3+])N2CCC[C@@H](C)C2)c1 ZINC000022222375 388827723 /nfs/dbraw/zinc/82/77/23/388827723.db2.gz AEZAJJACDUCXGH-IUODEOHRSA-N 1 0 248.370 2.427 40 0 BEABRO CCCCC[N@@H+]1CCN[C@H]2CCCC[C@@H]21 ZINC000225711562 388840834 /nfs/dbraw/zinc/84/08/34/388840834.db2.gz VUAWENVOQGLHJL-STQMWFEESA-N 1 0 210.365 2.393 40 0 BEABRO Cc1ccc(N2CC[NH2+][C@H]3CCC[C@@H]32)cc1 ZINC000225716439 388840870 /nfs/dbraw/zinc/84/08/70/388840870.db2.gz JFPBLLFPDFWWMS-KBPBESRZSA-N 1 0 216.328 2.326 40 0 BEABRO c1csc(CCN2CC[NH2+][C@@H]3CCC[C@@H]32)c1 ZINC000225716127 388840915 /nfs/dbraw/zinc/84/09/15/388840915.db2.gz QAUPJZQIGTZSKP-OLZOCXBDSA-N 1 0 236.384 2.117 40 0 BEABRO COc1ccccc1N1CC[NH2+][C@H]2CCC[C@@H]21 ZINC000225716499 388841013 /nfs/dbraw/zinc/84/10/13/388841013.db2.gz MRRFDVJNTZLNCG-RYUDHWBXSA-N 1 0 232.327 2.026 40 0 BEABRO Clc1cccc2c(N3CC[NH2+]CC3)ccnc12 ZINC000036373888 132294905 /nfs/dbraw/zinc/29/49/05/132294905.db2.gz LANLIVCVVSGVNE-UHFFFAOYSA-N 1 0 247.729 2.298 40 0 BEABRO Cc1cc(N2CC[NH2+]CC2)nc2c(F)cccc12 ZINC000040175215 132295942 /nfs/dbraw/zinc/29/59/42/132295942.db2.gz UZRBVYIZJJBCEL-UHFFFAOYSA-N 1 0 245.301 2.092 40 0 BEABRO c1ccc(N2CC[NH2+][C@@H]3CCCC[C@@H]32)cc1 ZINC000218831546 132452304 /nfs/dbraw/zinc/45/23/04/132452304.db2.gz DWNQWSQAKMLZFG-KGLIPLIRSA-N 1 0 216.328 2.407 40 0 BEABRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000408729184 133448433 /nfs/dbraw/zinc/44/84/33/133448433.db2.gz BDFAQKYUIBPFQG-CYBMUJFWSA-N 1 0 218.344 2.465 40 0 BEABRO Cc1ccc(C(=O)c2ccc[n+](C)c2)cc1 ZINC000001585434 397917919 /nfs/dbraw/zinc/91/79/19/397917919.db2.gz USIIPFQYKYRHEQ-UHFFFAOYSA-N 1 0 212.272 2.051 40 0 BEABRO CNc1ncc(C[NH2+]Cc2ccc(C)cc2)cn1 ZINC000062717470 398055347 /nfs/dbraw/zinc/05/53/47/398055347.db2.gz DLELLBFASRFPMN-UHFFFAOYSA-N 1 0 242.326 2.117 40 0 BEABRO Cc1cc(C(F)(F)F)ncc1[C@H](C)[NH3+] ZINC000258833859 398131763 /nfs/dbraw/zinc/13/17/63/398131763.db2.gz MPLKTTWICCBOCN-LURJTMIESA-N 1 0 204.195 2.429 40 0 BEABRO [NH3+][C@H]1CCCC[C@@H]1NCc1cccc(F)c1 ZINC000072411156 410028595 /nfs/dbraw/zinc/02/85/95/410028595.db2.gz RZBAYURBQUDRQO-STQMWFEESA-N 1 0 222.307 2.185 40 0 BEABRO Brc1ccc2c(c1)OC[C@@]21CC[NH2+]1 ZINC000306145649 166099665 /nfs/dbraw/zinc/09/96/65/166099665.db2.gz LXBNDDHFSOLTJL-JTQLQIEISA-N 1 0 240.100 2.030 40 0 BEABRO Brc1cccc(CC2C[NH2+]C2)c1 ZINC000049820343 166102108 /nfs/dbraw/zinc/10/21/08/166102108.db2.gz PWXAPCQIYHZHMY-UHFFFAOYSA-N 1 0 226.117 2.211 40 0 in-vitro BEABRO CC[NH+](CC)CCCNC(=O)c1cccc(C)c1 ZINC000002057641 169774190 /nfs/dbraw/zinc/77/41/90/169774190.db2.gz MBFPOQQRPGHXTN-UHFFFAOYSA-N 1 0 248.370 2.457 40 0 BEABRO CC(C)[NH2+]Cc1cccc2c1CCN2C ZINC000217518015 167119714 /nfs/dbraw/zinc/11/97/14/167119714.db2.gz RAMRDGWKILKVAS-UHFFFAOYSA-N 1 0 204.317 2.177 40 0 BEABRO CC(C)O[C@H](C[NH3+])c1ccc(F)cc1F ZINC000062711801 167283306 /nfs/dbraw/zinc/28/33/06/167283306.db2.gz DPPBLWCKVUVYJP-LLVKDONJSA-N 1 0 215.243 2.390 40 0 BEABRO CCN(CC)[C@@H](C[NH3+])c1ccccc1F ZINC000038901293 169796714 /nfs/dbraw/zinc/79/67/14/169796714.db2.gz IPHWARRUKJJLTB-LBPRGKRZSA-N 1 0 210.296 2.167 40 0 BEABRO CCC(=O)[C@@H](CC[NH+](C)C)c1ccccn1 ZINC000001675577 168252531 /nfs/dbraw/zinc/25/25/31/168252531.db2.gz ONGSHSURLCLNGD-NSHDSACASA-N 1 0 220.316 2.096 40 0 BEABRO CCC(=O)[C@H](CC[NH+](C)C)c1ccccn1 ZINC000002045659 168253670 /nfs/dbraw/zinc/25/36/70/168253670.db2.gz ONGSHSURLCLNGD-LLVKDONJSA-N 1 0 220.316 2.096 40 0 BEABRO CC[N@@H+]1CCN[C@H](c2ccccc2)C1(C)C ZINC000039102017 170000021 /nfs/dbraw/zinc/00/00/21/170000021.db2.gz DLWQVUKPXRXNAM-CYBMUJFWSA-N 1 0 218.344 2.431 40 0 BEABRO CC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000079437041 170108866 /nfs/dbraw/zinc/10/88/66/170108866.db2.gz CENLFVKCFRNZIL-UHFFFAOYSA-N 1 0 242.363 2.432 40 0 BEABRO CC[NH2+]CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000001671761 170109226 /nfs/dbraw/zinc/10/92/26/170109226.db2.gz UKIIBFWISLQIQE-UHFFFAOYSA-N 1 0 226.707 2.196 40 0 BEABRO CC[NH2+]Cc1ccc(Cc2ccco2)n1C ZINC000226021280 170126193 /nfs/dbraw/zinc/12/61/93/170126193.db2.gz FNPIUXWAEIBZCI-UHFFFAOYSA-N 1 0 218.300 2.318 40 0 BEABRO CC[NH2+]Cc1ccc(OC)c(OCC)c1 ZINC000008227256 170127276 /nfs/dbraw/zinc/12/72/76/170127276.db2.gz HLTCLMHTGLUYEP-UHFFFAOYSA-N 1 0 209.289 2.203 40 0 BEABRO CC[NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000100177506 170153587 /nfs/dbraw/zinc/15/35/87/170153587.db2.gz CENLFVKCFRNZIL-PHIMTYICSA-N 1 0 242.363 2.432 40 0 BEABRO CC[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000034963063 170166830 /nfs/dbraw/zinc/16/68/30/170166830.db2.gz GPRPWGYOLRHPLE-AWEZNQCLSA-N 1 0 218.344 2.261 40 0 BEABRO CCOC(=O)C[C@H]([NH3+])c1cnc2ccccc2c1 ZINC000026895777 170233449 /nfs/dbraw/zinc/23/34/49/170233449.db2.gz LHXLIPYYKOVEJT-LBPRGKRZSA-N 1 0 244.294 2.188 40 0 BEABRO CCOC(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC000002044176 170242781 /nfs/dbraw/zinc/24/27/81/170242781.db2.gz DSNGKTLFGUTLPW-NSHDSACASA-N 1 0 230.352 2.243 40 0 BEABRO CCOc1ccccc1N[C@@H]1CCC[C@@H]1[NH3+] ZINC000218878723 170595568 /nfs/dbraw/zinc/59/55/68/170595568.db2.gz BQLSHFWMMQZGTA-WDEREUQCSA-N 1 0 220.316 2.377 40 0 BEABRO CC[C@@H]([NH3+])COc1ccc(C(F)(F)F)cn1 ZINC000095094793 170865378 /nfs/dbraw/zinc/86/53/78/170865378.db2.gz APYDUEDMZBEOBF-MRVPVSSYSA-N 1 0 234.221 2.217 40 0 BEABRO CC[C@@](C)(C(=O)OC)[NH+]1CCCCCC1 ZINC000022538613 171164423 /nfs/dbraw/zinc/16/44/23/171164423.db2.gz UAXGEFPROGRJKY-LBPRGKRZSA-N 1 0 213.321 2.204 40 0 BEABRO CC[C@H](C)[NH2+]CCOC(=O)c1ccccc1 ZINC000006412302 171340280 /nfs/dbraw/zinc/34/02/80/171340280.db2.gz NRZGGCJHXOTBPP-NSHDSACASA-N 1 0 221.300 2.232 40 0 BEABRO CC[C@H](C)[NH2+]Cc1cc(OC)c(O)c(OC)c1 ZINC000020085663 171342684 /nfs/dbraw/zinc/34/26/84/171342684.db2.gz BVMCXNHSXPRBLZ-VIFPVBQESA-N 1 0 239.315 2.298 40 0 BEABRO CC[C@H](C)[NH2+]Cc1ccc(OC)c(O)c1 ZINC000019881882 171342876 /nfs/dbraw/zinc/34/28/76/171342876.db2.gz QRSHSNRBDHBUGQ-VIFPVBQESA-N 1 0 209.289 2.289 40 0 BEABRO CC[C@H](C)[NH2+]Cc1ccc(O)c(OC)c1 ZINC000019881844 171343448 /nfs/dbraw/zinc/34/34/48/171343448.db2.gz GAWZWSLGHXRVHE-VIFPVBQESA-N 1 0 209.289 2.289 40 0 BEABRO CCn1cc(C[NH2+]CCc2ccccc2)cn1 ZINC000002536449 172170506 /nfs/dbraw/zinc/17/05/06/172170506.db2.gz BMFROFCYMPULLM-UHFFFAOYSA-N 1 0 229.327 2.235 40 0 BEABRO CCn1nccc1C[NH2+]Cc1cccs1 ZINC000020351291 172270212 /nfs/dbraw/zinc/27/02/12/172270212.db2.gz MEBJBAFCOVKSPB-UHFFFAOYSA-N 1 0 221.329 2.254 40 0 BEABRO CN(C(=O)OCc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000054965485 172325146 /nfs/dbraw/zinc/32/51/46/172325146.db2.gz KZAPWAGMBADXOQ-ZDUSSCGKSA-N 1 0 248.326 2.007 40 0 BEABRO CN(Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000095067829 172852499 /nfs/dbraw/zinc/85/24/99/172852499.db2.gz LICYOHDZIKBDMV-CYBMUJFWSA-N 1 0 222.307 2.010 40 0 BEABRO C[N@@H+]1CCC[C@@H]1c1nccnc1-c1cccnc1 ZINC000072386810 173037139 /nfs/dbraw/zinc/03/71/39/173037139.db2.gz GDRXEGFFTQQORY-GFCCVEGCSA-N 1 0 240.310 2.305 40 0 BEABRO C[N@@H+]1CCC[C@H](C(=O)Nc2cccc(F)c2)C1 ZINC000082335691 173039396 /nfs/dbraw/zinc/03/93/96/173039396.db2.gz FZOPBHRKSYXATC-JTQLQIEISA-N 1 0 236.290 2.106 40 0 BEABRO C[N@@H+]1CCC[C@H](Cc2nccnc2Cl)CC1 ZINC000072343824 173043031 /nfs/dbraw/zinc/04/30/31/173043031.db2.gz VYLMKMITNSQVIS-JTQLQIEISA-N 1 0 239.750 2.404 40 0 BEABRO C[N@@H+]1CCC[C@H]1c1nccnc1-c1cccnc1 ZINC000072386811 173059534 /nfs/dbraw/zinc/05/95/34/173059534.db2.gz GDRXEGFFTQQORY-LBPRGKRZSA-N 1 0 240.310 2.305 40 0 BEABRO C[N@@H+]1CCC[C@]12CCCN(Cc1ccco1)C2 ZINC000096214679 173061814 /nfs/dbraw/zinc/06/18/14/173061814.db2.gz ZQJVTRPCCHAGGU-CQSZACIVSA-N 1 0 234.343 2.340 40 0 BEABRO CN1C[C@H]([NH3+])[C@H](c2ccc(Cl)cc2Cl)C1 ZINC000217661274 173192528 /nfs/dbraw/zinc/19/25/28/173192528.db2.gz DCULMEWANYUGGF-ONGXEEELSA-N 1 0 245.153 2.350 40 0 BEABRO C[NH2+]CCN(Cc1ccco1)C1CCCC1 ZINC000096523938 173354806 /nfs/dbraw/zinc/35/48/06/173354806.db2.gz KLONPGLINUNHJV-UHFFFAOYSA-N 1 0 222.332 2.244 40 0 BEABRO C[NH2+]C[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079437106 173369179 /nfs/dbraw/zinc/36/91/79/173369179.db2.gz NCMQXKLVNCDNLT-ZDUSSCGKSA-N 1 0 248.326 2.007 40 0 BEABRO C[NH2+]C[C@@H]1C[C@H]1c1ccc(N(C)C)cc1 ZINC000054588467 173372196 /nfs/dbraw/zinc/37/21/96/173372196.db2.gz GBFQCYNTWBMCGP-AAEUAGOBSA-N 1 0 204.317 2.076 40 0 BEABRO C[NH2+]C[C@@H]1C[C@H]1c1cccc(OC)c1OC ZINC000054588720 173372259 /nfs/dbraw/zinc/37/22/59/173372259.db2.gz VGQQRYRFCGMFFP-GXSJLCMTSA-N 1 0 221.300 2.027 40 0 BEABRO C[NH2+]C[C@H](OC(C)C)c1ccc2c(c1)OCO2 ZINC000062711643 173377459 /nfs/dbraw/zinc/37/74/59/173377459.db2.gz PJVVURLBTSPCQM-ZDUSSCGKSA-N 1 0 237.299 2.101 40 0 BEABRO C[NH2+]C[C@H](OC)c1ccc(Br)cc1 ZINC000050482333 173377918 /nfs/dbraw/zinc/37/79/18/173377918.db2.gz UPSHRIZBKNNJIY-JTQLQIEISA-N 1 0 244.132 2.356 40 0 BEABRO C[NH2+]Cc1cc(-c2ccc(F)cc2)on1 ZINC000035655529 173385164 /nfs/dbraw/zinc/38/51/64/173385164.db2.gz CMVUOBRMVLVKHT-UHFFFAOYSA-N 1 0 206.220 2.200 40 0 BEABRO COC(=O)C[C@H](C)[NH2+]CCCc1ccccc1 ZINC000037719578 173633429 /nfs/dbraw/zinc/63/34/29/173633429.db2.gz PNEJKAQZERIXJR-LBPRGKRZSA-N 1 0 235.327 2.160 40 0 BEABRO COCCC[NH2+]Cc1cc(C)ccc1OC ZINC000035161750 174246646 /nfs/dbraw/zinc/24/66/46/174246646.db2.gz NOGZIXBXBHHFCD-UHFFFAOYSA-N 1 0 223.316 2.130 40 0 BEABRO COCCC[NH2+][C@H](C)c1ccccc1OC ZINC000020142322 174249942 /nfs/dbraw/zinc/24/99/42/174249942.db2.gz TYXNTIBEQVZQTK-LLVKDONJSA-N 1 0 223.316 2.382 40 0 BEABRO CO[C@](C[NH3+])(c1ccccc1)C(F)(F)F ZINC000044236404 174911119 /nfs/dbraw/zinc/91/11/19/174911119.db2.gz OMZTYGQMHOTWRA-SECBINFHSA-N 1 0 219.206 2.049 40 0 BEABRO COc1cc(C[NH2+]CC(C)C)cc(OC)c1O ZINC000020085829 174983388 /nfs/dbraw/zinc/98/33/88/174983388.db2.gz BMZCURAMUOVNAF-UHFFFAOYSA-N 1 0 239.315 2.155 40 0 BEABRO COc1cc(OC)c(SC)cc1C[C@@H](C)[NH3+] ZINC000006036792 175008157 /nfs/dbraw/zinc/00/81/57/175008157.db2.gz BEMIKIUJWHLJTP-MRVPVSSYSA-N 1 0 241.356 2.315 40 0 BEABRO COc1cc2[nH]cc(C[NH+](C)C)c2cc1OC ZINC000001747911 175018484 /nfs/dbraw/zinc/01/84/84/175018484.db2.gz JTWOJYIJQZMOKH-UHFFFAOYSA-N 1 0 234.299 2.247 40 0 BEABRO COc1ccc(C(N)=[NH2+])c2ccccc12 ZINC000001442760 175052337 /nfs/dbraw/zinc/05/23/37/175052337.db2.gz UHHWXSJEONXKQT-UHFFFAOYSA-N 1 0 200.241 2.132 40 0 BEABRO COc1ccc(C2([NH3+])CCCC2)cc1OC ZINC000011883648 175084760 /nfs/dbraw/zinc/08/47/60/175084760.db2.gz UFIBWACEEAXPJG-UHFFFAOYSA-N 1 0 221.300 2.432 40 0 BEABRO COc1ccc(CCCN2CCC[C@H]([NH3+])C2)cc1 ZINC000096523529 175089829 /nfs/dbraw/zinc/08/98/29/175089829.db2.gz MEMLZBJRSGVPGS-AWEZNQCLSA-N 1 0 248.370 2.051 40 0 BEABRO COc1ccc(CN2CCCC[C@@H]2C[NH3+])c(C)c1 ZINC000096523576 175098778 /nfs/dbraw/zinc/09/87/78/175098778.db2.gz QOYGDBZEXQXREY-CQSZACIVSA-N 1 0 248.370 2.317 40 0 BEABRO COc1ccc([C@@H]2[NH2+]C(C)(C)CO2)cc1 ZINC000002044033 175185661 /nfs/dbraw/zinc/18/56/61/175185661.db2.gz ZZDYHBPPVMOWFG-LLVKDONJSA-N 1 0 207.273 2.092 40 0 BEABRO COc1ccc([C@H]2C[C@H]2[C@@H](C)[NH3+])c(OC)c1 ZINC000020392318 175198111 /nfs/dbraw/zinc/19/81/11/175198111.db2.gz RRLUYITYNNJRHP-JFUSQASVSA-N 1 0 221.300 2.155 40 0 BEABRO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH3+])c(OC)c1 ZINC000036056705 175198315 /nfs/dbraw/zinc/19/83/15/175198315.db2.gz RRLUYITYNNJRHP-XXILOJSOSA-N 1 0 221.300 2.155 40 0 BEABRO COc1ccc2c(c1)C[C@@H](C1CCOCC1)[NH2+]C2 ZINC000019562519 175210658 /nfs/dbraw/zinc/21/06/58/175210658.db2.gz UAALEBLRNCVMDA-HNNXBMFYSA-N 1 0 247.338 2.136 40 0 BEABRO COc1ccc2c(c1)C[C@H](C1CCOCC1)[NH2+]C2 ZINC000019562516 175211044 /nfs/dbraw/zinc/21/10/44/175211044.db2.gz UAALEBLRNCVMDA-OAHLLOKOSA-N 1 0 247.338 2.136 40 0 BEABRO COc1ccc2[nH+]c(N(C)C)cc(N(C)C)c2c1 ZINC000001573329 175228804 /nfs/dbraw/zinc/22/88/04/175228804.db2.gz XTMAIECDEHPDSP-UHFFFAOYSA-N 1 0 245.326 2.375 40 0 BEABRO COc1cccc(-c2nnc([C@@H]3CCC[NH2+]3)o2)c1 ZINC000032102019 175237610 /nfs/dbraw/zinc/23/76/10/175237610.db2.gz XDWNODSJRMKTAN-NSHDSACASA-N 1 0 245.282 2.170 40 0 BEABRO COc1cccc(CCCN2CCC[C@H]([NH3+])C2)c1 ZINC000096523533 175252035 /nfs/dbraw/zinc/25/20/35/175252035.db2.gz ARZQKFUEFMDIOE-AWEZNQCLSA-N 1 0 248.370 2.051 40 0 BEABRO COc1cccc([C@@H]2CCC[NH2+]2)c1OC ZINC000003732287 175289913 /nfs/dbraw/zinc/28/99/13/175289913.db2.gz OEHUXEOLUCUQPE-JTQLQIEISA-N 1 0 207.273 2.128 40 0 BEABRO COc1cccc([C@H]2CCC[NH2+]2)c1OC ZINC000003732286 175295735 /nfs/dbraw/zinc/29/57/35/175295735.db2.gz OEHUXEOLUCUQPE-SNVBAGLBSA-N 1 0 207.273 2.128 40 0 BEABRO COc1ccccc1[C@H](C[NH3+])N1CCC[C@@H](C)C1 ZINC000038809150 175353152 /nfs/dbraw/zinc/35/31/52/175353152.db2.gz AWACISUOWGQNCH-OCCSQVGLSA-N 1 0 248.370 2.427 40 0 BEABRO C[C@@H](O[C@@H]1CC[NH2+]C1)c1cccc(F)c1 ZINC000096529856 176002841 /nfs/dbraw/zinc/00/28/41/176002841.db2.gz RNQHMAAQVMREMW-BXKDBHETSA-N 1 0 209.264 2.265 40 0 BEABRO C[C@@H](O[C@H]1CC[NH2+]C1)c1cccc(F)c1 ZINC000096529860 176004373 /nfs/dbraw/zinc/00/43/73/176004373.db2.gz RNQHMAAQVMREMW-SKDRFNHKSA-N 1 0 209.264 2.265 40 0 BEABRO C[C@@H](c1ccc(F)cc1)[NH+]1CCC(O)CC1 ZINC000043220467 176016210 /nfs/dbraw/zinc/01/62/10/176016210.db2.gz DTPQDUOJWMJUKR-JTQLQIEISA-N 1 0 223.291 2.343 40 0 BEABRO C[C@@H](c1ccccc1)N1CC[NH2+]C[C@H]1C ZINC000041213211 176022175 /nfs/dbraw/zinc/02/21/75/176022175.db2.gz OPHHITNORRLRPQ-NEPJUHHUSA-N 1 0 204.317 2.041 40 0 BEABRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccs1 ZINC000072324618 176323804 /nfs/dbraw/zinc/32/38/04/176323804.db2.gz AUFZOEMMLVUAKW-NEPJUHHUSA-N 1 0 236.384 2.417 40 0 BEABRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(F)c1 ZINC000019575142 176324424 /nfs/dbraw/zinc/32/44/24/176324424.db2.gz GETWVEJSRHTUMV-DOMZBBRYSA-N 1 0 248.345 2.494 40 0 BEABRO C[C@@H]1C[NH2+]CCN1Cc1c(F)cccc1Cl ZINC000054373012 176326399 /nfs/dbraw/zinc/32/63/99/176326399.db2.gz FJPPQWSCJPFFFT-SECBINFHSA-N 1 0 242.725 2.273 40 0 BEABRO C[C@@H]1C[NH2+]CCN1Cc1ccc(Cl)c(F)c1 ZINC000071978866 176327222 /nfs/dbraw/zinc/32/72/22/176327222.db2.gz DLQMXKLGPBMMKX-SECBINFHSA-N 1 0 242.725 2.273 40 0 BEABRO C[C@H](c1ccc(F)cc1)[NH+]1CCC(O)CC1 ZINC000043220468 177034098 /nfs/dbraw/zinc/03/40/98/177034098.db2.gz DTPQDUOJWMJUKR-SNVBAGLBSA-N 1 0 223.291 2.343 40 0 BEABRO C[C@@H]1C[N@@H+](C)C[C@H](C)C1(O)c1ccccc1 ZINC000004712839 177233878 /nfs/dbraw/zinc/23/38/78/177233878.db2.gz XSUFCGQZSFZRAK-ONXXMXGDSA-N 1 0 219.328 2.092 40 0 BEABRO C[C@H]1C[NH2+]CCN1Cc1cccc(Cl)c1 ZINC000054373129 177284811 /nfs/dbraw/zinc/28/48/11/177284811.db2.gz LNTSUUZINYEMMR-JTQLQIEISA-N 1 0 224.735 2.134 40 0 BEABRO C[C@H]1C[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2O1 ZINC000096062534 177352686 /nfs/dbraw/zinc/35/26/86/177352686.db2.gz NVBQFSKORISUED-SGMGOOAPSA-N 1 0 232.327 2.081 40 0 BEABRO C[C@@H](C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C)[S@@](C)=O ZINC000195560806 177356899 /nfs/dbraw/zinc/35/68/99/177356899.db2.gz GWNOXSJHARWDTG-DXHVMGJMSA-N 1 0 231.405 2.168 40 0 BEABRO CC(=O)Nc1cccc(C2=CC[NH2+]CC2)c1 ZINC000148062173 488080961 /nfs/dbraw/zinc/08/09/61/488080961.db2.gz GTQTWKLHRHEMTH-UHFFFAOYSA-N 1 0 216.284 2.022 40 0 BEABRO Cc1cc(-n2nnc3ccccc32)cc[nH+]1 ZINC000019924005 488160801 /nfs/dbraw/zinc/16/08/01/488160801.db2.gz SRZITBTYXDZOSP-UHFFFAOYSA-N 1 0 210.240 2.124 40 0 BEABRO CCc1cc(Nc2c(C)nn(C)c2C)cc[nH+]1 ZINC000336203951 491123942 /nfs/dbraw/zinc/12/39/42/491123942.db2.gz COHJLHSTWXTWHV-UHFFFAOYSA-N 1 0 230.315 2.160 40 0 BEABRO [NH3+]C1(c2ccc(Br)cn2)CCC1 ZINC000083323830 491161113 /nfs/dbraw/zinc/16/11/13/491161113.db2.gz HNFGZABZRQMKMQ-UHFFFAOYSA-N 1 0 227.105 2.182 40 0 BEABRO CC(C)Nc1c[nH+]cc(Br)c1N ZINC000225742607 519741886 /nfs/dbraw/zinc/74/18/86/519741886.db2.gz QHAQUMBVRLTQQN-UHFFFAOYSA-N 1 0 230.109 2.247 40 0 BEABRO CCn1cc(C[NH2+]Cc2ccc(OC)cc2)cn1 ZINC000002536066 523385523 /nfs/dbraw/zinc/38/55/23/523385523.db2.gz DTCMAUJKIFKJDX-UHFFFAOYSA-N 1 0 245.326 2.201 40 0 BEABRO C[C@@H]1O[C@@H]2C[C@H](C(F)(F)F)C[C@H]([NH3+])[C@H]2[C@@H]1C ZINC000242463391 525604222 /nfs/dbraw/zinc/60/42/22/525604222.db2.gz CZVKMVVAGFXBBQ-WHSUVHHGSA-N 1 0 237.265 2.326 40 0 BEABRO [NH2+]=C(Cc1c(F)cccc1C(F)(F)F)NO ZINC000228913469 526816269 /nfs/dbraw/zinc/81/62/69/526816269.db2.gz KXFRNEMITJBVRT-UHFFFAOYSA-N 1 0 236.168 2.343 40 0 BEABRO [NH2+]=C(Cc1cccc(OC(F)(F)F)c1)NO ZINC000228915319 526816472 /nfs/dbraw/zinc/81/64/72/526816472.db2.gz XZXFSRDUKGRDAM-UHFFFAOYSA-N 1 0 234.177 2.084 40 0 BEABRO N[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000199548557 527378684 /nfs/dbraw/zinc/37/86/84/527378684.db2.gz ZXBLFXOIZZZBHD-NSHDSACASA-N 1 0 244.260 2.152 40 0 BEABRO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](SC(N)=[NH2+])C2=O ZINC000005425938 535037994 /nfs/dbraw/zinc/03/79/94/535037994.db2.gz JVXRHLUWSSCLBB-HLEGCSNESA-N 1 0 226.345 2.007 40 0 BEABRO C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000001605943 536421404 /nfs/dbraw/zinc/42/14/04/536421404.db2.gz QSWNKAMBKWBJGH-UHFFFAOYSA-N 1 0 210.708 2.092 40 0 BEABRO