smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CC[C@H]([NH2+]C[C@@H]([NH3+])CC(F)F)C2)cc1 ZINC000903932561 626152498 /nfs/dbraw/zinc/15/24/98/626152498.db2.gz DRRYRMWDYUVLJT-RYUDHWBXSA-N 2 0 299.365 1.846 10 10 CDCERP CCOc1ccc(CN2CC[C@H]([NH3+])[C@@H]2C)c(O)c1 ZINC000841025063 678301832 /nfs/dbraw/zinc/30/18/32/678301832.db2.gz ZSUPRFGSXBEQRV-GWCFXTLKSA-N 2 0 250.342 1.712 10 10 CDCERP COc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c1O ZINC000841063367 678322305 /nfs/dbraw/zinc/32/23/05/678322305.db2.gz HYOLQLDLHMNREQ-ZYHUDNBSSA-N 2 0 250.342 1.488 10 10 CDCERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000841063391 679422613 /nfs/dbraw/zinc/42/26/13/679422613.db2.gz IFGZBROLBRCMEW-MWLCHTKSSA-N 2 0 264.325 1.209 10 10 CDCERP CCOc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c1O ZINC000841063434 621619893 /nfs/dbraw/zinc/61/98/93/621619893.db2.gz JORCNHAHRHJRMG-AAEUAGOBSA-N 2 0 264.369 1.879 10 10 CDCERP C[NH2+]CCOCC[N@H+](C)Cc1cccc(C)c1O ZINC000863647440 683481891 /nfs/dbraw/zinc/48/18/91/683481891.db2.gz LSOFYCCJFDRVMV-UHFFFAOYSA-N 2 0 252.358 1.368 10 10 CDCERP [NH3+]C1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000051692662 679776429 /nfs/dbraw/zinc/77/64/29/679776429.db2.gz CGKKLQOOBXDMMI-UHFFFAOYSA-N 2 0 289.423 1.883 10 10 CDCERP CC[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccccc1O ZINC000863540341 679740833 /nfs/dbraw/zinc/74/08/33/679740833.db2.gz CSFADQZCVDXSBI-ZDUSSCGKSA-N 2 0 264.369 1.941 10 10 CDCERP COc1ccc(O)c(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000703539064 681596186 /nfs/dbraw/zinc/59/61/86/681596186.db2.gz VPCXKNCOWLRGGO-SWLSCSKDSA-N 2 0 262.353 1.442 10 10 CDCERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000863543887 683183661 /nfs/dbraw/zinc/18/36/61/683183661.db2.gz FQGXKWYOKPIBAI-LBPRGKRZSA-N 2 0 252.358 1.587 10 10 CDCERP CN(C)c1ccc([C@H]([NH3+])CNCC2(C[NH3+])CC2)cc1 ZINC000841040859 618677027 /nfs/dbraw/zinc/67/70/27/618677027.db2.gz APOGWOGVHHWPBP-CQSZACIVSA-N 2 0 262.401 1.081 10 10 CDCERP Cc1cc(O)c(C[NH2+]CCOCCC[NH3+])c(Cl)c1 ZINC000863650749 685095803 /nfs/dbraw/zinc/09/58/03/685095803.db2.gz ZTANLSDPYZYLHT-UHFFFAOYSA-N 2 0 272.776 1.809 10 10 CDCERP CC[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccccc1O ZINC000925811705 686286756 /nfs/dbraw/zinc/28/67/56/686286756.db2.gz KDVPDCHVBKXHPJ-HNNXBMFYSA-N 2 0 277.412 1.856 10 10 CDCERP CC[C@@H]([NH2+]CCOCC[NH2+]C)c1ccc(C)cc1O ZINC000863543859 687970949 /nfs/dbraw/zinc/97/09/49/687970949.db2.gz DUOHEZDQBHBGEA-CQSZACIVSA-N 2 0 266.385 1.977 10 10 CDCERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841064915 618679103 /nfs/dbraw/zinc/67/91/03/618679103.db2.gz WEBQNFCUGUTQLT-BXUZGUMPSA-N 2 0 265.376 1.979 10 10 CDCERP COc1ccc(N2CC[C@H]([NH2+]C[C@@]3(C)CC[NH2+]C3)C2)cc1 ZINC000849350740 688445366 /nfs/dbraw/zinc/44/53/66/688445366.db2.gz UQDHEPAFLZRXDR-YOEHRIQHSA-N 2 0 289.423 1.863 10 10 CDCERP C[NH2+]CCOCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000863544378 694346913 /nfs/dbraw/zinc/34/69/13/694346913.db2.gz RZGXLNKTWWEFDI-JTQLQIEISA-N 2 0 256.321 1.418 10 10 CDCERP C[NH2+]CCOCC[N@H+](C)Cc1cc(Cl)ccc1O ZINC000706636813 694879613 /nfs/dbraw/zinc/87/96/13/694879613.db2.gz QCOAYRSGHYDZHK-UHFFFAOYSA-N 2 0 272.776 1.713 10 10 CDCERP Cc1ccc(Br)c([C@H]([NH3+])CC[NH3+])c1O ZINC000306576907 360542704 /nfs/dbraw/zinc/54/27/04/360542704.db2.gz KXCVVLCQEOFXQF-MRVPVSSYSA-N 2 0 259.147 1.812 10 10 CDCERP COc1ccc(O)c(C[NH2+]CCCC[NH+](C)C)c1 ZINC000045663712 617382206 /nfs/dbraw/zinc/38/22/06/617382206.db2.gz YRGMVPFRILXKTF-UHFFFAOYSA-N 2 0 252.358 1.832 10 10 CDCERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000841063387 695403453 /nfs/dbraw/zinc/40/34/53/695403453.db2.gz IFGZBROLBRCMEW-GXSJLCMTSA-N 2 0 264.325 1.209 10 10 CDCERP C[C@@H](O)[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000808424690 695899395 /nfs/dbraw/zinc/89/93/95/695899395.db2.gz RLMUMYYBLOYZSW-ZIAGYGMSSA-N 2 0 277.412 1.297 10 10 CDCERP COc1ccc(O)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000383238016 696082934 /nfs/dbraw/zinc/08/29/34/696082934.db2.gz BFOBJVHZGGEZMK-BETUJISGSA-N 2 0 276.380 1.832 10 10 CDCERP CN(C)c1ccc(/C=C/C[NH2+]CCOCC[NH+](C)C)cc1 ZINC000842205101 724109980 /nfs/dbraw/zinc/10/99/80/724109980.db2.gz BZIMXPBONKRYMK-AATRIKPKSA-N 2 0 291.439 1.934 10 10 CDCERP [NH3+]Cc1ccc2c(c1)CCCN2C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000852740995 725928711 /nfs/dbraw/zinc/92/87/11/725928711.db2.gz NUKAYSOUJPEXJY-HNNXBMFYSA-N 2 0 287.407 1.419 10 10 CDCERP C[N@@H+](Cc1cc(F)ccc1O)C[C@@H]1CC[NH+](C)C1 ZINC000121015076 390878655 /nfs/dbraw/zinc/87/86/55/390878655.db2.gz HSKHUGUTMYYORV-LLVKDONJSA-N 2 0 252.333 1.915 10 10 CDCERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(N(C)C)cc1C ZINC000863647434 726190794 /nfs/dbraw/zinc/19/07/94/726190794.db2.gz LLUKGZSRWUIQHM-UHFFFAOYSA-N 2 0 279.428 1.729 10 10 CDCERP COc1ccc(O)c(CN[C@@H]2CCCC[NH2+]C2)c1 ZINC000841089951 726349893 /nfs/dbraw/zinc/34/98/93/726349893.db2.gz LUTKVYKTVMXVFB-GFCCVEGCSA-N 2 0 250.342 1.633 10 10 CDCERP CCOc1ccc(C[NH2+]CC2([NH3+])CCOCC2)c(O)c1 ZINC000863481155 726360220 /nfs/dbraw/zinc/36/02/20/726360220.db2.gz AEMUCMUJXLJYLP-UHFFFAOYSA-N 2 0 280.368 1.388 10 10 CDCERP CC[C@@H]([NH2+]CCOCC[NH2+]C)c1ccccc1O ZINC000863543909 929566760 /nfs/dbraw/zinc/56/67/60/929566760.db2.gz GJWMHGFHLSPMAE-CYBMUJFWSA-N 2 0 252.358 1.669 10 10 CDCERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccccc1O ZINC000925814640 617765612 /nfs/dbraw/zinc/76/56/12/617765612.db2.gz KOUXGMCQCYUFEU-GFCCVEGCSA-N 2 0 263.385 1.466 10 10 CDCERP C[C@@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@H](C)[NH3+] ZINC000841076736 728883713 /nfs/dbraw/zinc/88/37/13/728883713.db2.gz NRTSRYZAETYFJB-UONOGXRCSA-N 2 0 276.428 1.264 10 10 CDCERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841062543 729057395 /nfs/dbraw/zinc/05/73/95/729057395.db2.gz AMHSVRNMTXFZED-PBHICJAKSA-N 2 0 289.423 1.611 10 10 CDCERP C[C@H]1CC[NH2+]C[C@@H]1NCc1cc2c(cc1O)OCO2 ZINC000841058446 729278699 /nfs/dbraw/zinc/27/86/99/729278699.db2.gz HDOYRXVOFVLJRO-ONGXEEELSA-N 2 0 264.325 1.209 10 10 CDCERP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C12CCC2 ZINC000925560714 729354214 /nfs/dbraw/zinc/35/42/14/729354214.db2.gz XGFIPNMWFDNRCR-LSDHHAIUSA-N 2 0 258.365 1.981 10 10 CDCERP C[C@@H](CO)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809743422 730332996 /nfs/dbraw/zinc/33/29/96/730332996.db2.gz ZPISNUZREFSVJV-AWEZNQCLSA-N 2 0 277.412 1.251 10 10 CDCERP C[C@@]1(CN2CCCc3cc(C[NH3+])ccc32)CC[NH2+]C1 ZINC000843058198 618691924 /nfs/dbraw/zinc/69/19/24/618691924.db2.gz OIIRJAPXPALFHI-MRXNPFEDSA-N 2 0 259.397 1.898 10 10 CDCERP CCOc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c1O ZINC000841063436 621620007 /nfs/dbraw/zinc/62/00/07/621620007.db2.gz JORCNHAHRHJRMG-WCQYABFASA-N 2 0 264.369 1.879 10 10 CDCERP COc1ccc(N2CC[C@H]([NH2+]C[C@H]([NH3+])CC(F)F)C2)cc1 ZINC000903932559 626152470 /nfs/dbraw/zinc/15/24/70/626152470.db2.gz DRRYRMWDYUVLJT-NEPJUHHUSA-N 2 0 299.365 1.846 10 10 CDCERP CCOc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c(O)c1 ZINC000841064042 618679668 /nfs/dbraw/zinc/67/96/68/618679668.db2.gz OIZFAMBNNXHATR-FZMZJTMJSA-N 2 0 264.369 1.879 10 10 CDCERP Oc1ccccc1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903954234 626166576 /nfs/dbraw/zinc/16/65/76/626166576.db2.gz AXUZAZNPZOWQJO-NSHDSACASA-N 2 0 256.296 1.727 10 10 CDCERP CN(C)c1ccc([C@H]([NH3+])CN[C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925691829 734096796 /nfs/dbraw/zinc/09/67/96/734096796.db2.gz NCQDPCYZMWLVIV-BZUAXINKSA-N 2 0 288.439 1.612 10 10 CDCERP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000846698588 734986049 /nfs/dbraw/zinc/98/60/49/734986049.db2.gz JMPKSRNVYWVVQU-GDBMZVCRSA-N 2 0 289.423 1.835 10 10 CDCERP CCOc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1O ZINC000708844136 735229772 /nfs/dbraw/zinc/22/97/72/735229772.db2.gz DMVHJHXGHLYHJF-DGCLKSJQSA-N 2 0 264.369 1.818 10 10 CDCERP COc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)c(O)c1 ZINC000049554486 524087636 /nfs/dbraw/zinc/08/76/36/524087636.db2.gz YXGCEGBXBFBZGR-LLVKDONJSA-N 2 0 252.358 1.831 10 10 CDCERP CCO[C@@H]1C[N@H+](Cc2cccc(OC)c2O)C[C@H]1C[NH3+] ZINC000405483595 940989925 /nfs/dbraw/zinc/98/99/25/940989925.db2.gz XZLVGYKRJLFBIB-TZMCWYRMSA-N 2 0 280.368 1.196 10 10 CDCERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000903973826 626168658 /nfs/dbraw/zinc/16/86/58/626168658.db2.gz ISLSMTQOGIBEAT-IUODEOHRSA-N 2 0 260.381 1.957 10 10 CDCERP CCOc1ccc(O)c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903964687 626171285 /nfs/dbraw/zinc/17/12/85/626171285.db2.gz OUIGAENYANXKDN-YPMHNXCESA-N 2 0 264.369 1.736 10 10 CDCERP C[C@@H]([NH3+])[C@@H](C)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000841076737 741332613 /nfs/dbraw/zinc/33/26/13/741332613.db2.gz NRTSRYZAETYFJB-ZIAGYGMSSA-N 2 0 276.428 1.264 10 10 CDCERP COc1cccc(O)c1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000843124228 741553867 /nfs/dbraw/zinc/55/38/67/741553867.db2.gz WHKYDJYWGZHABI-MRXNPFEDSA-N 2 0 276.380 1.976 10 10 CDCERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000903965173 626171877 /nfs/dbraw/zinc/17/18/77/626171877.db2.gz YZHKKOYDSVQZFB-KOLCDFICSA-N 2 0 264.325 1.066 10 10 CDCERP Cc1ccc(O)c([C@@H](C)[NH2+]CCOCCC[NH3+])c1 ZINC000863545083 744966173 /nfs/dbraw/zinc/96/61/73/744966173.db2.gz GWHYXHQRUJHOPP-GFCCVEGCSA-N 2 0 252.358 1.717 10 10 CDCERP C[NH2+]CCOCC[N@H+](C)Cc1c(O)cccc1OC ZINC000863647915 745880247 /nfs/dbraw/zinc/88/02/47/745880247.db2.gz HIQRBENTJSWWOI-UHFFFAOYSA-N 2 0 268.357 1.069 10 10 CDCERP COc1cccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)c1O ZINC000853247220 746214811 /nfs/dbraw/zinc/21/48/11/746214811.db2.gz HSVYHDYOUAYMML-GFCCVEGCSA-N 2 0 252.358 1.864 10 10 CDCERP CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923310305 746230134 /nfs/dbraw/zinc/23/01/34/746230134.db2.gz DYTJCFXNYQMAFQ-HNNXBMFYSA-N 2 0 290.407 1.983 10 10 CDCERP CCO[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C)C[C@H]1C[NH3+] ZINC000844903759 747769981 /nfs/dbraw/zinc/76/99/81/747769981.db2.gz MMBZQMDVWFDLTD-NVXWUHKLSA-N 2 0 291.439 1.857 10 10 CDCERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)C=C1CC[NH2+]CC1 ZINC000852796575 750117658 /nfs/dbraw/zinc/11/76/58/750117658.db2.gz FRVCTFVRNCOOIS-UHFFFAOYSA-N 2 0 285.391 1.734 10 10 CDCERP CN(C)c1ccc(/C=C\CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000835027818 752825203 /nfs/dbraw/zinc/82/52/03/752825203.db2.gz DDUCZKLRLGRTAA-SSGMOAHOSA-N 2 0 271.408 1.917 10 10 CDCERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841064918 618679164 /nfs/dbraw/zinc/67/91/64/618679164.db2.gz WEBQNFCUGUTQLT-RISCZKNCSA-N 2 0 265.376 1.979 10 10 CDCERP Cc1cc(Cl)cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1O ZINC000841077233 626010378 /nfs/dbraw/zinc/01/03/78/626010378.db2.gz FLFGLKQFESFTBR-GDNZZTSVSA-N 2 0 252.745 1.661 10 10 CDCERP COc1cc(O)c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1OC ZINC000903966715 626171933 /nfs/dbraw/zinc/17/19/33/626171933.db2.gz AFLDXKQWXJBOLQ-PWSUYJOCSA-N 2 0 280.368 1.355 10 10 CDCERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@H]12 ZINC000310843867 754313338 /nfs/dbraw/zinc/31/33/38/754313338.db2.gz OESMABVBXKTIJC-JIMOISOXSA-N 2 0 250.317 1.700 10 10 CDCERP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(N(C)C)cc1 ZINC000863542219 754879425 /nfs/dbraw/zinc/87/94/25/754879425.db2.gz UGYDMFBOIDVWHW-ZDUSSCGKSA-N 2 0 277.412 1.911 10 10 CDCERP CC[C@H]([NH2+]CCOCC[NH2+]C)c1ccc(C)cc1O ZINC000863543858 755873415 /nfs/dbraw/zinc/87/34/15/755873415.db2.gz DUOHEZDQBHBGEA-AWEZNQCLSA-N 2 0 266.385 1.977 10 10 CDCERP Cc1ccc([C@@H](C)[NH2+]CCOCCC[NH3+])c(O)c1 ZINC000863547059 756292043 /nfs/dbraw/zinc/29/20/43/756292043.db2.gz OOCDBCRCNBKSKX-GFCCVEGCSA-N 2 0 252.358 1.717 10 10 CDCERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000848563854 769821823 /nfs/dbraw/zinc/82/18/23/769821823.db2.gz XRFUHTIVXKYGCC-KLPPZKSPSA-N 2 0 278.352 1.551 10 10 CDCERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)CCO2 ZINC000817902347 771358295 /nfs/dbraw/zinc/35/82/95/771358295.db2.gz OQDKPEHXQJHYST-CQSZACIVSA-N 2 0 264.369 1.465 10 10 CDCERP CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000703581294 772987294 /nfs/dbraw/zinc/98/72/94/772987294.db2.gz BLWKFZJENWKLCT-GOEBONIOSA-N 2 0 259.397 1.794 10 10 CDCERP C[N@H+](CCCCO)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000788269932 772999507 /nfs/dbraw/zinc/99/95/07/772999507.db2.gz TXSVBJNWXOGWLO-UHFFFAOYSA-N 2 0 291.439 1.643 10 10 CDCERP C[NH2+]Cc1ccc(N(C)C[C@H]2CC[N@H+](C)C2)c(F)c1 ZINC000071190028 176065897 /nfs/dbraw/zinc/06/58/97/176065897.db2.gz TUIOWXSGSYTZHL-ZDUSSCGKSA-N 2 0 265.376 1.933 10 10 CDCERP COc1cccc(O)c1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000841063590 773925542 /nfs/dbraw/zinc/92/55/42/773925542.db2.gz LFFPPTDYEJJCLA-CMPLNLGQSA-N 2 0 250.342 1.488 10 10 CDCERP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000846698590 774030457 /nfs/dbraw/zinc/03/04/57/774030457.db2.gz JMPKSRNVYWVVQU-GOEBONIOSA-N 2 0 289.423 1.835 10 10 CDCERP COc1cc(O)c(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1OC ZINC000848923454 778362091 /nfs/dbraw/zinc/36/20/91/778362091.db2.gz KDALVCONZKZQQB-BJHJDKERSA-N 2 0 294.395 1.839 10 10 CDCERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000848923126 782206622 /nfs/dbraw/zinc/20/66/22/782206622.db2.gz GSHNTXLGUINARU-GSJFWJNXSA-N 2 0 252.333 1.961 10 10 CDCERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000863543076 783099159 /nfs/dbraw/zinc/09/91/59/783099159.db2.gz KHAHUCHCWZHBLR-ZDUSSCGKSA-N 2 0 265.401 1.639 10 10 CDCERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000706630042 923076352 /nfs/dbraw/zinc/07/63/52/923076352.db2.gz GIJWSMLIAASYFD-UHFFFAOYSA-N 2 0 265.401 1.420 10 10 CDCERP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C12CCC2 ZINC000925560711 932905374 /nfs/dbraw/zinc/90/53/74/932905374.db2.gz XGFIPNMWFDNRCR-GJZGRUSLSA-N 2 0 258.365 1.981 10 10 CDCERP C[NH+]1CCN(c2ccc(C[NH2+]CC3CSC3)cc2)CC1 ZINC000895421256 619661959 /nfs/dbraw/zinc/66/19/59/619661959.db2.gz ALRAVSHJSRXKTB-UHFFFAOYSA-N 2 0 291.464 1.891 10 10 CDCERP COc1ccc(N2CCC([NH2+][C@@H](C)[C@@H](C)[NH3+])CC2)cc1 ZINC000841076575 625970011 /nfs/dbraw/zinc/97/00/11/625970011.db2.gz JGWIUFIAUOWBCT-OLZOCXBDSA-N 2 0 277.412 1.989 10 10 CDCERP COc1ccc(O)c(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000903955460 626167021 /nfs/dbraw/zinc/16/70/21/626167021.db2.gz SCURXSBEZSSKDI-LLVKDONJSA-N 2 0 286.322 1.735 10 10 CDCERP COc1ccc(N2CCC([NH2+][C@H](C)[C@@H](C)[NH3+])CC2)cc1 ZINC000841076574 936974204 /nfs/dbraw/zinc/97/42/04/936974204.db2.gz JGWIUFIAUOWBCT-CHWSQXEVSA-N 2 0 277.412 1.989 10 10 CDCERP C[NH2+]CCOCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000863544106 929566445 /nfs/dbraw/zinc/56/64/45/929566445.db2.gz LABUPVIRBFPQFU-PWSUYJOCSA-N 2 0 282.359 1.905 10 10 CDCERP COc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000841063652 618679304 /nfs/dbraw/zinc/67/93/04/618679304.db2.gz MTVPBBDFLHWNKW-GXFFZTMASA-N 2 0 250.342 1.488 10 10 CDCERP C[C@](C[NH3+])([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000923295683 785827111 /nfs/dbraw/zinc/82/71/11/785827111.db2.gz DYKZQYWHTVMNJW-QGZVFWFLSA-N 2 0 289.423 1.740 10 10 CDCERP COc1ccc(O)c(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000708834495 786092114 /nfs/dbraw/zinc/09/21/14/786092114.db2.gz DPGTZBUGPWZZBP-ZYHUDNBSSA-N 2 0 250.342 1.427 10 10 CDCERP Cc1cc(O)c(C[N@H+](C)CCOCC[NH3+])c(Cl)c1 ZINC000863651556 786317299 /nfs/dbraw/zinc/31/72/99/786317299.db2.gz KZVNSNYQUBPYHL-UHFFFAOYSA-N 2 0 272.776 1.761 10 10 CDCERP COc1cccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1O ZINC000708834652 788255941 /nfs/dbraw/zinc/25/59/41/788255941.db2.gz GTAODPUFOXUVQT-JQWIXIFHSA-N 2 0 250.342 1.427 10 10 CDCERP CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)c(O)c1 ZINC000844905477 795560786 /nfs/dbraw/zinc/56/07/86/795560786.db2.gz LJCLCCFOHOTQLL-CZUORRHYSA-N 2 0 294.395 1.587 10 10 CDCERP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817942178 796095874 /nfs/dbraw/zinc/09/58/74/796095874.db2.gz MRGOPGXMDLRGSB-KCXAZCMYSA-N 2 0 276.428 1.292 10 10 CDCERP Oc1ccccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530249853 368152116 /nfs/dbraw/zinc/15/21/16/368152116.db2.gz ZEXHKJZPZSUEHO-MRXNPFEDSA-N 2 0 290.407 1.983 10 10 CDCERP C[NH2+]CCOCC[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000863647285 797546375 /nfs/dbraw/zinc/54/63/75/797546375.db2.gz IBRBRHIZAWAWGI-UHFFFAOYSA-N 2 0 298.383 1.077 10 10 CDCERP COc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000708834493 797962895 /nfs/dbraw/zinc/96/28/95/797962895.db2.gz DPGTZBUGPWZZBP-PWSUYJOCSA-N 2 0 250.342 1.427 10 10 CDCERP C[NH+](C)[C@H]1CCN(c2ccc(C[NH3+])c(Cl)c2)C1 ZINC000062963700 522104071 /nfs/dbraw/zinc/10/40/71/522104071.db2.gz HHARMYVJYVPPFM-LBPRGKRZSA-N 2 0 253.777 1.939 10 10 CDCERP C[C@@H](O)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771849471 575626936 /nfs/dbraw/zinc/62/69/36/575626936.db2.gz ZNOIQQMAEBATNU-CQSZACIVSA-N 2 0 277.412 1.299 10 10 CDCERP [NH3+]CCCOCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000863545859 811821736 /nfs/dbraw/zinc/82/17/36/811821736.db2.gz ICWVBKSDZKGIIQ-LBPRGKRZSA-N 2 0 250.342 1.335 10 10 CDCERP COc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000311491177 814249088 /nfs/dbraw/zinc/24/90/88/814249088.db2.gz JRBRBWYMGOAJSX-IAQYHMDHSA-N 2 0 264.369 1.818 10 10 CDCERP COc1cccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1O ZINC000723920808 896276836 /nfs/dbraw/zinc/27/68/36/896276836.db2.gz ZSSDKIPHQOUMKT-VXGBXAGGSA-N 2 0 264.369 1.818 10 10 CDCERP C[NH+](C)CCCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000045598357 630584432 /nfs/dbraw/zinc/58/44/32/630584432.db2.gz UPAHPDALZYSFEW-UHFFFAOYSA-N 2 0 291.439 1.955 10 10 CDCERP COc1ccc(N2CC[C@H](N[C@H]3C[NH2+]CC[C@H]3C)C2)cc1 ZINC000854216916 819290168 /nfs/dbraw/zinc/29/01/68/819290168.db2.gz HEAFKWNJPYVORK-KEYYUXOJSA-N 2 0 289.423 1.862 10 10 CDCERP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000827855302 820514394 /nfs/dbraw/zinc/51/43/94/820514394.db2.gz AFGDXSPHEZGWDB-OAHLLOKOSA-N 2 0 278.396 1.935 10 10 CDCERP CCO[C@@H]1C[N@H+](Cc2cccc(C)c2O)C[C@H]1C[NH3+] ZINC000844903506 820840218 /nfs/dbraw/zinc/84/02/18/820840218.db2.gz DTRPLGYLNNYJBG-ZIAGYGMSSA-N 2 0 264.369 1.496 10 10 CDCERP COc1ccc(N2CC[C@H]([NH2+]CC3CC[NH2+]CC3)C2)cc1 ZINC000849350762 969940849 /nfs/dbraw/zinc/94/08/49/969940849.db2.gz VKFXUMQKLJHXBZ-HNNXBMFYSA-N 2 0 289.423 1.863 10 10 CDCERP COc1ccc(O)c([C@H](C)[NH+]2CCC([NH3+])CC2)c1 ZINC000020521522 171235312 /nfs/dbraw/zinc/23/53/12/171235312.db2.gz YSNMIKFCTPGAMZ-JTQLQIEISA-N 2 0 250.342 1.885 10 10 CDCERP COc1ccc(N2CCC([NH2+][C@@H](C)[C@H](C)[NH3+])CC2)cc1 ZINC000841076577 625970108 /nfs/dbraw/zinc/97/01/08/625970108.db2.gz JGWIUFIAUOWBCT-STQMWFEESA-N 2 0 277.412 1.989 10 10 CDCERP COc1cccc(O)c1CNC[C@H]1C[NH2+]CCC1(F)F ZINC000903955221 626166292 /nfs/dbraw/zinc/16/62/92/626166292.db2.gz NGGJFEYEHVUVHX-SNVBAGLBSA-N 2 0 286.322 1.735 10 10 CDCERP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@@H]1C(F)(F)F ZINC000720855369 823949444 /nfs/dbraw/zinc/94/94/44/823949444.db2.gz CWKYJQZIFRYXET-MNOVXSKESA-N 2 0 274.286 1.961 10 10 CDCERP COc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1O ZINC000709972312 825043588 /nfs/dbraw/zinc/04/35/88/825043588.db2.gz UKPQBZLIIWYJKV-INIZCTEOSA-N 2 0 276.380 1.976 10 10 CDCERP CCOc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c1O ZINC000841063435 621620155 /nfs/dbraw/zinc/62/01/55/621620155.db2.gz JORCNHAHRHJRMG-DGCLKSJQSA-N 2 0 264.369 1.879 10 10 CDCERP CN(C)c1ccc(C[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000863481247 833261280 /nfs/dbraw/zinc/26/12/80/833261280.db2.gz DKFREWWWSFHIDY-UHFFFAOYSA-N 2 0 263.385 1.350 10 10 CDCERP C[N@@H+](Cc1ccccc1O)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923305794 828938530 /nfs/dbraw/zinc/93/85/30/828938530.db2.gz GBLMLDQQYMYINF-CYBMUJFWSA-N 2 0 262.353 1.203 10 10 CDCERP COc1cccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1O ZINC000848562068 833815923 /nfs/dbraw/zinc/81/59/23/833815923.db2.gz GTKIWCGAHOGFBA-BJHJDKERSA-N 2 0 264.369 1.831 10 10 CDCERP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1O)CCO2 ZINC000843431392 832330088 /nfs/dbraw/zinc/33/00/88/832330088.db2.gz FIGZRNBJHAULAQ-UHFFFAOYSA-N 2 0 276.380 1.689 10 10 CDCERP Nc1ccc(Br)c([C@H]([NH3+])CC[NH3+])c1O ZINC000307187589 365857613 /nfs/dbraw/zinc/85/76/13/365857613.db2.gz WFKJNYLJIUKSNY-ZCFIWIBFSA-N 2 0 260.135 1.086 10 10 CDCERP COc1ccc(O)c(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903975098 626169448 /nfs/dbraw/zinc/16/94/48/626169448.db2.gz XGSFJSOQZITPSB-VXGBXAGGSA-N 2 0 264.369 1.736 10 10 CDCERP C[C@@H]1C[NH2+]C[C@H](NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000843126330 835939946 /nfs/dbraw/zinc/93/99/46/835939946.db2.gz OAKMBDMIFAAGSW-JGGQBBKZSA-N 2 0 276.428 1.340 10 10 CDCERP C[NH+](C)CCCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000045664286 524052813 /nfs/dbraw/zinc/05/28/13/524052813.db2.gz DVFLPVUUXFOBMO-UHFFFAOYSA-N 2 0 266.341 1.552 10 10 CDCERP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000872251758 844148248 /nfs/dbraw/zinc/14/82/48/844148248.db2.gz MKKIBJSCFWNQCC-LBPRGKRZSA-N 2 0 292.379 1.989 10 10 CDCERP COc1ccc(N2CC[C@H]([NH2+][C@@H](C)C3C[NH2+]C3)C2)cc1 ZINC000854216709 843308856 /nfs/dbraw/zinc/30/88/56/843308856.db2.gz CZTWHWQGYSRJGO-JSGCOSHPSA-N 2 0 275.396 1.471 10 10 CDCERP COc1cccc(O)c1C[NH2+]CCC1(C[NH3+])CC1 ZINC000844902585 846083707 /nfs/dbraw/zinc/08/37/07/846083707.db2.gz RYQJZIRGBSSFAW-UHFFFAOYSA-N 2 0 250.342 1.619 10 10 CDCERP COc1ccc(O)c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000843123470 846398230 /nfs/dbraw/zinc/39/82/30/846398230.db2.gz JWEFOQIQPRETNC-MRXNPFEDSA-N 2 0 276.380 1.976 10 10 CDCERP C[C@H]([NH3+])c1ccc(N2CC[N@H+](C)[C@@H](C)C2)c(F)c1 ZINC000104124559 136525449 /nfs/dbraw/zinc/52/54/49/136525449.db2.gz KTMMKQATJXDGSG-QWRGUYRKSA-N 2 0 251.349 1.986 10 10 CDCERP [NH3+]CCC[C@@H]([NH3+])c1cc(Br)ccc1O ZINC000575438796 364991281 /nfs/dbraw/zinc/99/12/81/364991281.db2.gz MHIIMTOLIFSSLA-SECBINFHSA-N 2 0 259.147 1.893 10 10 CDCERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841064919 621633706 /nfs/dbraw/zinc/63/37/06/621633706.db2.gz WEBQNFCUGUTQLT-SMDDNHRTSA-N 2 0 265.376 1.979 10 10 CDCERP COc1cc(Cl)cc(CNCC23CC(C2)C[NH2+]3)c1O ZINC000853246710 697851501 /nfs/dbraw/zinc/85/15/01/697851501.db2.gz QJBMYFJJEFVIKX-UHFFFAOYSA-N 2 0 282.771 1.896 10 10 CDCERP COc1ccc(O)c(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000231456576 850258884 /nfs/dbraw/zinc/25/88/84/850258884.db2.gz JIDXQZWTDNANBJ-CYBMUJFWSA-N 2 0 264.369 1.975 10 10 CDCERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(N(C)C)cc1 ZINC000234730654 932584935 /nfs/dbraw/zinc/58/49/35/932584935.db2.gz BIIUXALWBOKJAB-CQSZACIVSA-N 2 0 265.401 1.596 10 10 CDCERP COc1cccc(O)c1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903964281 626171461 /nfs/dbraw/zinc/17/14/61/626171461.db2.gz HQNMUIPSPJKWTK-MNOVXSKESA-N 2 0 250.342 1.346 10 10 CDCERP Cc1cc(O)c(C[NH2+]CCOCCC[NH3+])cc1C ZINC000863486910 712035339 /nfs/dbraw/zinc/03/53/39/712035339.db2.gz OGCLHUCKYLJETP-UHFFFAOYSA-N 2 0 252.358 1.464 10 10 CDCERP C[NH2+]CCOCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000863544087 712137973 /nfs/dbraw/zinc/13/79/73/712137973.db2.gz KOUBOLNHPQISNK-NSHDSACASA-N 2 0 268.357 1.287 10 10 CDCERP Cc1ccc(O)c(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000843431388 712390044 /nfs/dbraw/zinc/39/00/44/712390044.db2.gz FFUKFXDZISOLOD-UHFFFAOYSA-N 2 0 290.407 1.997 10 10 CDCERP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(N(C)C)cc1 ZINC000863547647 712402152 /nfs/dbraw/zinc/40/21/52/712402152.db2.gz RGXBZQVBYVDIDB-CYBMUJFWSA-N 2 0 265.401 1.769 10 10 CDCERP CCOc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000841063255 936974217 /nfs/dbraw/zinc/97/42/17/936974217.db2.gz HDJRILVUZQUEOQ-SMDDNHRTSA-N 2 0 264.369 1.879 10 10 CDCERP COc1cccc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1O ZINC000903974178 626169277 /nfs/dbraw/zinc/16/92/77/626169277.db2.gz KZMXJQXJOLLFLW-VXGBXAGGSA-N 2 0 264.369 1.736 10 10 CDCERP CN(Cc1cc[nH]n1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775690094 924833351 /nfs/dbraw/zinc/83/33/51/924833351.db2.gz BURYQRXCKWXNBH-UHFFFAOYSA-N 2 0 299.422 1.794 10 10 CDCERP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@@](C)(O)C3)cc2)CC1 ZINC000841891116 937021364 /nfs/dbraw/zinc/02/13/64/937021364.db2.gz IZJDSXPUGHUUKD-WOVMCDHWSA-N 2 0 289.423 1.441 10 10 CDCERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2O)CC1 ZINC000179571958 391211995 /nfs/dbraw/zinc/21/19/95/391211995.db2.gz IDAXWVHLLPMQJX-AWEZNQCLSA-N 2 0 292.423 1.917 10 10 CDCERP [NH3+]CCC[C@H]([NH3+])c1cccc(Br)c1[O-] ZINC000575440071 370060122 /nfs/dbraw/zinc/06/01/22/370060122.db2.gz ILTVVZWVUTZUAU-VIFPVBQESA-N 2 0 259.147 1.893 10 10 CDCERP COc1ccc(O)c(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000848923571 677975688 /nfs/dbraw/zinc/97/56/88/677975688.db2.gz NJYQADUFGFPPBP-BJHJDKERSA-N 2 0 264.369 1.831 10 10 CDCERP Cc1cc(N(C)C)ccc1C[NH2+]CC1([NH3+])CCOCC1 ZINC000863645562 678375307 /nfs/dbraw/zinc/37/53/07/678375307.db2.gz KRJXAHZFBYUCFO-UHFFFAOYSA-N 2 0 277.412 1.659 10 10 CDCERP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000923421199 678580800 /nfs/dbraw/zinc/58/08/00/678580800.db2.gz MELIFCCTZHJNJP-CVEARBPZSA-N 2 0 289.423 1.739 10 10 CDCERP COc1cccc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)c1O ZINC000156019551 361701777 /nfs/dbraw/zinc/70/17/77/361701777.db2.gz KOWPVKKPGIKKRT-GFCCVEGCSA-N 2 0 264.369 1.784 10 10 CDCERP Cc1cc(Cl)cc(C[NH2+]CCN2CC[NH2+]CC2)c1O ZINC000841044203 618678739 /nfs/dbraw/zinc/67/87/39/618678739.db2.gz BLXLHMLFKKFWLQ-UHFFFAOYSA-N 2 0 283.803 1.349 10 10 CDCERP COc1cccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1O ZINC000903955390 626166825 /nfs/dbraw/zinc/16/68/25/626166825.db2.gz QQFIDWSHIIHDHK-LLVKDONJSA-N 2 0 286.322 1.735 10 10 CDCERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000903964320 626171423 /nfs/dbraw/zinc/17/14/23/626171423.db2.gz JOOQREJYCNUGLC-YPMHNXCESA-N 2 0 265.376 1.837 10 10 CDCERP CCO[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)C[C@H]1C[NH3+] ZINC000923389368 681867733 /nfs/dbraw/zinc/86/77/33/681867733.db2.gz WZBWCCPZTHSQIA-NVXWUHKLSA-N 2 0 291.439 1.857 10 10 CDCERP Cc1cccc(C[NH2+]CC2([NH3+])CCOCC2)c1O ZINC000863481613 682709832 /nfs/dbraw/zinc/70/98/32/682709832.db2.gz KJAARVLUVNTCOI-UHFFFAOYSA-N 2 0 250.342 1.298 10 10 CDCERP COc1cccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)c1O ZINC000231461154 682865564 /nfs/dbraw/zinc/86/55/64/682865564.db2.gz NTARFWBWZCNGOD-ZDUSSCGKSA-N 2 0 264.369 1.975 10 10 CDCERP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817942173 683233759 /nfs/dbraw/zinc/23/37/59/683233759.db2.gz MRGOPGXMDLRGSB-DAXOMENPSA-N 2 0 276.428 1.292 10 10 CDCERP C[C@@H](CF)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000814299583 687322432 /nfs/dbraw/zinc/32/24/32/687322432.db2.gz WKHWQXGZIUFYEI-ZDUSSCGKSA-N 2 0 265.376 1.886 10 10 CDCERP COc1ccc(N2CCC([NH2+]CCC[NH3+])CC2)cc1 ZINC000817938681 688424711 /nfs/dbraw/zinc/42/47/11/688424711.db2.gz POBGXIXVSXMNEU-UHFFFAOYSA-N 2 0 263.385 1.602 10 10 CDCERP CCOc1ccc(O)c(C[N@H+](C)CCOCC[NH2+]C)c1 ZINC000863648402 692989385 /nfs/dbraw/zinc/98/93/85/692989385.db2.gz TYTWCLOENFOIFV-UHFFFAOYSA-N 2 0 282.384 1.459 10 10 CDCERP CCOc1cccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1O ZINC000708844135 694814113 /nfs/dbraw/zinc/81/41/13/694814113.db2.gz DMVHJHXGHLYHJF-AAEUAGOBSA-N 2 0 264.369 1.818 10 10 CDCERP COc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)c(O)c1 ZINC000049554485 524074039 /nfs/dbraw/zinc/07/40/39/524074039.db2.gz YXGCEGBXBFBZGR-NSHDSACASA-N 2 0 252.358 1.831 10 10 CDCERP C[NH2+]CCOCC[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000863647459 695888939 /nfs/dbraw/zinc/88/89/39/695888939.db2.gz MPIOILGBSNDWFA-AATRIKPKSA-N 2 0 291.439 1.934 10 10 CDCERP CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1O ZINC000708844138 696084211 /nfs/dbraw/zinc/08/42/11/696084211.db2.gz DMVHJHXGHLYHJF-YPMHNXCESA-N 2 0 264.369 1.818 10 10 CDCERP COc1ccc(O)c([C@H](C)[NH2+]CC2([NH3+])CCOCC2)c1 ZINC000863540064 725356295 /nfs/dbraw/zinc/35/62/95/725356295.db2.gz ABFSUSXWYBNDPC-NSHDSACASA-N 2 0 280.368 1.559 10 10 CDCERP Cn1cc[nH+]c1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000840887220 725999061 /nfs/dbraw/zinc/99/90/61/725999061.db2.gz IMTMCJDNAQYRRZ-UHFFFAOYSA-N 2 0 285.395 1.784 10 10 CDCERP COc1ccc(O)c(C[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC000853247548 726007462 /nfs/dbraw/zinc/00/74/62/726007462.db2.gz TWPUFVFVDDJFPL-CYBMUJFWSA-N 2 0 252.358 1.864 10 10 CDCERP Nc1ccc(Br)c([C@@H]([NH3+])CC[NH3+])c1O ZINC000306787651 362569213 /nfs/dbraw/zinc/56/92/13/362569213.db2.gz WFKJNYLJIUKSNY-LURJTMIESA-N 2 0 260.135 1.086 10 10 CDCERP C[C@@H]1C[NH2+]C[C@H]1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000903964828 626171479 /nfs/dbraw/zinc/17/14/79/626171479.db2.gz WPAPGVBYXOSOFY-RHSMWYFYSA-N 2 0 288.439 1.136 10 10 CDCERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841062554 726099407 /nfs/dbraw/zinc/09/94/07/726099407.db2.gz AMHSVRNMTXFZED-WMLDXEAASA-N 2 0 289.423 1.611 10 10 CDCERP C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H]1CC[NH3+] ZINC000723900872 726151499 /nfs/dbraw/zinc/15/14/99/726151499.db2.gz DHGQAQOVODFBAS-GHMZBOCLSA-N 2 0 252.333 1.948 10 10 CDCERP CN(C)c1ccc([C@H]([NH3+])CN[C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925691832 726285822 /nfs/dbraw/zinc/28/58/22/726285822.db2.gz NCQDPCYZMWLVIV-OWCLPIDISA-N 2 0 288.439 1.612 10 10 CDCERP C[NH+](C)CCN(C(=O)C=C1CC[NH2+]CC1)c1ccccc1 ZINC000852864050 927901339 /nfs/dbraw/zinc/90/13/39/927901339.db2.gz VXHZGBHZYOIGPG-UHFFFAOYSA-N 2 0 287.407 1.891 10 10 CDCERP CC[C@H]([NH2+]CCOCC[NH2+]C)c1ccccc1O ZINC000863543910 929566884 /nfs/dbraw/zinc/56/68/84/929566884.db2.gz GJWMHGFHLSPMAE-ZDUSSCGKSA-N 2 0 252.358 1.669 10 10 CDCERP c1cc(N2CCCC2)ccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC001334775126 959348435 /nfs/dbraw/zinc/34/84/35/959348435.db2.gz SGKQDRXRMLIWHQ-UHFFFAOYSA-N 2 0 288.439 1.282 10 10 CDCERP CCOc1cccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1O ZINC000903965175 626171795 /nfs/dbraw/zinc/17/17/95/626171795.db2.gz ZABSFBWIIMVYRH-YPMHNXCESA-N 2 0 264.369 1.736 10 10 CDCERP Cc1cc(Cl)cc(C[NH+]2CCC(O)(C[NH3+])CC2)c1O ZINC000841108222 728899785 /nfs/dbraw/zinc/89/97/85/728899785.db2.gz QRZDIHJAKVONQM-UHFFFAOYSA-N 2 0 284.787 1.640 10 10 CDCERP COc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000843123469 729475533 /nfs/dbraw/zinc/47/55/33/729475533.db2.gz JWEFOQIQPRETNC-INIZCTEOSA-N 2 0 276.380 1.976 10 10 CDCERP C[NH2+]CCOCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000863544479 929565878 /nfs/dbraw/zinc/56/58/78/929565878.db2.gz VNADPKUCOXYSLJ-LBPRGKRZSA-N 2 0 250.342 1.205 10 10 CDCERP COc1ccc(N(C)CC[N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903460849 625995876 /nfs/dbraw/zinc/99/58/76/625995876.db2.gz JXFPPRCKGWQHBX-CABCVRRESA-N 2 0 291.439 1.919 10 10 CDCERP Oc1ccc(F)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000394103291 730639327 /nfs/dbraw/zinc/63/93/27/730639327.db2.gz FJIWAOSCEMOING-TXEJJXNPSA-N 2 0 264.344 1.963 10 10 CDCERP C[NH2+]CCOCC[N@H+](C)Cc1c(O)cccc1Cl ZINC000706638380 732797591 /nfs/dbraw/zinc/79/75/91/732797591.db2.gz VWECQMBOOPQZEC-UHFFFAOYSA-N 2 0 272.776 1.713 10 10 CDCERP [NH3+]C1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CCOCC1 ZINC001118955155 924963658 /nfs/dbraw/zinc/96/36/58/924963658.db2.gz XJVRKWLTMXYMJN-UHFFFAOYSA-N 2 0 289.423 1.884 10 10 CDCERP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2O)C[C@@H]1C(F)(F)F ZINC000720855373 935257764 /nfs/dbraw/zinc/25/77/64/935257764.db2.gz CWKYJQZIFRYXET-QWRGUYRKSA-N 2 0 274.286 1.961 10 10 CDCERP COc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1O ZINC000843124364 735423629 /nfs/dbraw/zinc/42/36/29/735423629.db2.gz ZEEACJGUWZTHMU-INIZCTEOSA-N 2 0 276.380 1.976 10 10 CDCERP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000846698592 733521091 /nfs/dbraw/zinc/52/10/91/733521091.db2.gz JMPKSRNVYWVVQU-HOCLYGCPSA-N 2 0 289.423 1.835 10 10 CDCERP C[C@@H]([NH3+])[C@@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000841078714 736047691 /nfs/dbraw/zinc/04/76/91/736047691.db2.gz HOBMIUWIDXXOGK-CHWSQXEVSA-N 2 0 263.385 1.349 10 10 CDCERP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(OC)ccc2O)C1 ZINC000037644199 521717184 /nfs/dbraw/zinc/71/71/84/521717184.db2.gz LXHFYJJRFPIWKN-GFCCVEGCSA-N 2 0 264.369 1.832 10 10 CDCERP [NH3+]C1CCN(CC[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000925816390 617772327 /nfs/dbraw/zinc/77/23/27/617772327.db2.gz GFUSFLSDXRSBFZ-AWEZNQCLSA-N 2 0 275.396 1.392 10 10 CDCERP CC(C)C[C@H]([NH3+])CNC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841043361 621573587 /nfs/dbraw/zinc/57/35/87/621573587.db2.gz RLVPFHIILZIRKA-HOCLYGCPSA-N 2 0 278.444 1.715 10 10 CDCERP COc1ccc(N2CC[C@@H]([NH2+]C[C@@H]([NH3+])CC(F)F)C2)cc1 ZINC000903932560 626152297 /nfs/dbraw/zinc/15/22/97/626152297.db2.gz DRRYRMWDYUVLJT-NWDGAFQWSA-N 2 0 299.365 1.846 10 10 CDCERP Oc1ccccc1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903954233 626166645 /nfs/dbraw/zinc/16/66/45/626166645.db2.gz AXUZAZNPZOWQJO-LLVKDONJSA-N 2 0 256.296 1.727 10 10 CDCERP COc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1O ZINC000903955391 626167002 /nfs/dbraw/zinc/16/70/02/626167002.db2.gz QQFIDWSHIIHDHK-NSHDSACASA-N 2 0 286.322 1.735 10 10 CDCERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(N(C)C)cc1 ZINC000925810444 738632575 /nfs/dbraw/zinc/63/25/75/738632575.db2.gz NOSCPDWQTRZBFR-CQSZACIVSA-N 2 0 290.455 1.826 10 10 CDCERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000863647797 736381087 /nfs/dbraw/zinc/38/10/87/736381087.db2.gz WENGDYBDVJOGQH-UHFFFAOYSA-N 2 0 283.391 1.560 10 10 CDCERP COc1ccc(O)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000709971991 737498038 /nfs/dbraw/zinc/49/80/38/737498038.db2.gz QZWHBFWEGIXHPK-INIZCTEOSA-N 2 0 276.380 1.976 10 10 CDCERP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c(O)c1 ZINC000841064041 618679526 /nfs/dbraw/zinc/67/95/26/618679526.db2.gz OIZFAMBNNXHATR-BXUZGUMPSA-N 2 0 264.369 1.879 10 10 CDCERP COc1cc(O)c(C[NH2+]CCC2(C[NH3+])CC2)cc1OC ZINC000844903616 741560402 /nfs/dbraw/zinc/56/04/02/741560402.db2.gz IBYZDMWYMHDCTN-UHFFFAOYSA-N 2 0 280.368 1.628 10 10 CDCERP Cc1ccc([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)c(O)c1 ZINC000925812871 748750076 /nfs/dbraw/zinc/75/00/76/748750076.db2.gz PWTYVJUSPHZKTJ-ZDUSSCGKSA-N 2 0 277.412 1.774 10 10 CDCERP COc1cccc(O)c1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903973925 626168907 /nfs/dbraw/zinc/16/89/07/626168907.db2.gz JIMGXFCMZOZFRU-VXGBXAGGSA-N 2 0 264.369 1.736 10 10 CDCERP CCOc1ccc(O)c(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000841063254 751816232 /nfs/dbraw/zinc/81/62/32/751816232.db2.gz HDJRILVUZQUEOQ-RISCZKNCSA-N 2 0 264.369 1.879 10 10 CDCERP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000923421205 749378225 /nfs/dbraw/zinc/37/82/25/749378225.db2.gz MELIFCCTZHJNJP-HOTGVXAUSA-N 2 0 289.423 1.739 10 10 CDCERP COCC[NH2+]C1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000844899411 750824839 /nfs/dbraw/zinc/82/48/39/750824839.db2.gz AVYXKWVQIYVMET-UHFFFAOYSA-N 2 0 278.396 1.901 10 10 CDCERP C[NH2+]CCOCC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000863544398 751060861 /nfs/dbraw/zinc/06/08/61/751060861.db2.gz SPPGJKKNRJXFLB-JTQLQIEISA-N 2 0 272.776 1.932 10 10 CDCERP COc1cccc(C[N@H+](C)[C@@H]2CN3CCC2CC3)c1O ZINC000380616254 751072020 /nfs/dbraw/zinc/07/20/20/751072020.db2.gz GJZDSYJONVPZAK-CQSZACIVSA-N 2 0 276.380 1.927 10 10 CDCERP C[C@@H]([NH3+])[C@H](C)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000841076735 752385766 /nfs/dbraw/zinc/38/57/66/752385766.db2.gz NRTSRYZAETYFJB-KGLIPLIRSA-N 3 0 276.428 1.264 10 10 CDCERP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000042880149 521717213 /nfs/dbraw/zinc/71/72/13/521717213.db2.gz IRPMORAAYRAMGU-LLVKDONJSA-N 2 0 278.352 1.552 10 10 CDCERP COc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1O ZINC000709972314 754075555 /nfs/dbraw/zinc/07/55/55/754075555.db2.gz UKPQBZLIIWYJKV-MRXNPFEDSA-N 2 0 276.380 1.976 10 10 CDCERP C[C@@H]1C[NH2+]C[C@H](NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000843126192 754119072 /nfs/dbraw/zinc/11/90/72/754119072.db2.gz OAKMBDMIFAAGSW-BJJXKVORSA-N 2 0 276.428 1.340 10 10 CDCERP C[NH2+]CCOCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000863544610 754867145 /nfs/dbraw/zinc/86/71/45/754867145.db2.gz ZDSDCHZHGQOWAZ-GFCCVEGCSA-N 2 0 252.358 1.587 10 10 CDCERP COc1ccc(N2CC[C@H]([NH2+]C3CC[NH2+]CC3)C2)cc1 ZINC000849349704 757012715 /nfs/dbraw/zinc/01/27/15/757012715.db2.gz FNSXDZIRAGCKFH-AWEZNQCLSA-N 2 0 275.396 1.616 10 10 CDCERP COc1ccc(N2CC[C@@H]([NH2+]CC3CC[NH2+]CC3)C2)cc1 ZINC000849350763 757128311 /nfs/dbraw/zinc/12/83/11/757128311.db2.gz VKFXUMQKLJHXBZ-OAHLLOKOSA-N 2 0 289.423 1.863 10 10 CDCERP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H]1C(F)(F)F ZINC000720855367 757860387 /nfs/dbraw/zinc/86/03/87/757860387.db2.gz CWKYJQZIFRYXET-GHMZBOCLSA-N 2 0 274.286 1.961 10 10 CDCERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000903964630 626171551 /nfs/dbraw/zinc/17/15/51/626171551.db2.gz MPHHIMJLGZRXQY-ZJUUUORDSA-N 2 0 254.761 1.991 10 10 CDCERP C[NH2+]CCOCC[N@H+](C)Cc1cc(OC)ccc1O ZINC000706656354 770912882 /nfs/dbraw/zinc/91/28/82/770912882.db2.gz SNFRVVDIXCHHHF-UHFFFAOYSA-N 2 0 268.357 1.069 10 10 CDCERP Cc1cccc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1O ZINC000827699574 771158741 /nfs/dbraw/zinc/15/87/41/771158741.db2.gz JAFUZDATQSCQPA-INIZCTEOSA-N 2 0 290.407 1.732 10 10 CDCERP COc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c1O ZINC000841063281 771300479 /nfs/dbraw/zinc/30/04/79/771300479.db2.gz HYOLQLDLHMNREQ-CMPLNLGQSA-N 2 0 250.342 1.488 10 10 CDCERP CN(C)c1ccc(C[NH2+]CCOCCC[NH3+])cc1F ZINC000863484217 771844342 /nfs/dbraw/zinc/84/43/42/771844342.db2.gz IDVOBPAPKQVKQG-UHFFFAOYSA-N 2 0 269.364 1.347 10 10 CDCERP CCOc1ccc(O)c(C[NH2+]CCOCCC[NH3+])c1 ZINC000863485182 771981557 /nfs/dbraw/zinc/98/15/57/771981557.db2.gz VYXUBUMVJDWAQM-UHFFFAOYSA-N 2 0 268.357 1.246 10 10 CDCERP COc1ccc(N2CC[C@@H]([NH2+]C[C@]3(C)CC[NH2+]C3)C2)cc1 ZINC000849350738 773423522 /nfs/dbraw/zinc/42/35/22/773423522.db2.gz UQDHEPAFLZRXDR-RHSMWYFYSA-N 2 0 289.423 1.863 10 10 CDCERP COc1cc(O)c(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1OC ZINC000841063737 621622858 /nfs/dbraw/zinc/62/28/58/621622858.db2.gz NGDAYCZFIDRPGH-ZYHUDNBSSA-N 2 0 280.368 1.497 10 10 CDCERP COc1cc(O)c(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc1OC ZINC000853247227 774670347 /nfs/dbraw/zinc/67/03/47/774670347.db2.gz IBUAXPBSVDSQOT-GFCCVEGCSA-N 2 0 282.384 1.872 10 10 CDCERP C[N@@H+](Cc1cc(F)ccc1O)C[C@H]1CC[NH+](C)C1 ZINC000121014897 390878661 /nfs/dbraw/zinc/87/86/61/390878661.db2.gz HSKHUGUTMYYORV-NSHDSACASA-N 2 0 252.333 1.915 10 10 CDCERP CN1CCC[C@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000227440329 393208039 /nfs/dbraw/zinc/20/80/39/393208039.db2.gz VJAPLELAQWPQHJ-NSHDSACASA-N 2 0 264.325 1.305 10 10 CDCERP CN(C)c1ccc([C@@H]([NH3+])CN[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925689158 617683215 /nfs/dbraw/zinc/68/32/15/617683215.db2.gz HAZOJFPPRGZQOP-JKSUJKDBSA-N 2 0 288.439 1.627 10 10 CDCERP COc1ccc(N2CC[C@@H]([NH2+]C3CC[NH2+]CC3)C2)cc1 ZINC000849349705 782688535 /nfs/dbraw/zinc/68/85/35/782688535.db2.gz FNSXDZIRAGCKFH-CQSZACIVSA-N 2 0 275.396 1.616 10 10 CDCERP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817942183 782878950 /nfs/dbraw/zinc/87/89/50/782878950.db2.gz MRGOPGXMDLRGSB-WQVCFCJDSA-N 2 0 276.428 1.292 10 10 CDCERP Cc1ccc([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)c(O)c1 ZINC000925812870 783045717 /nfs/dbraw/zinc/04/57/17/783045717.db2.gz PWTYVJUSPHZKTJ-CYBMUJFWSA-N 2 0 277.412 1.774 10 10 CDCERP COc1cc(Cl)cc(C[NH2+]CCOCCC[NH3+])c1O ZINC000863486044 783218808 /nfs/dbraw/zinc/21/88/08/783218808.db2.gz CLJARMKSALUEGT-UHFFFAOYSA-N 2 0 288.775 1.509 10 10 CDCERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841062549 936973367 /nfs/dbraw/zinc/97/33/67/936973367.db2.gz AMHSVRNMTXFZED-RHSMWYFYSA-N 2 0 289.423 1.611 10 10 CDCERP Oc1cc2c(cc1CN[C@H]1CC[NH2+]C13CCCC3)OCO2 ZINC000843127214 937115760 /nfs/dbraw/zinc/11/57/60/937115760.db2.gz CBQBNBCXZVRJGQ-HNNXBMFYSA-N 2 0 290.363 1.885 10 10 CDCERP C[C@H]([NH3+])c1ccc(N2CCC[N@H+](C)CC2)c(F)c1 ZINC000020217771 171080970 /nfs/dbraw/zinc/08/09/70/171080970.db2.gz PXMLEKNNBHXVKV-NSHDSACASA-N 2 0 251.349 1.987 10 10 CDCERP COc1cc(Cl)cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1O ZINC000903968372 626172798 /nfs/dbraw/zinc/17/27/98/626172798.db2.gz ULYLQXLPNCIKHI-KOLCDFICSA-N 2 0 284.787 1.999 10 10 CDCERP C[N@@H+](Cc1ccccc1O)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000852745538 927857108 /nfs/dbraw/zinc/85/71/08/927857108.db2.gz WGPLTKAJKKOODB-ZDUSSCGKSA-N 2 0 262.353 1.345 10 10 CDCERP COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3C[NH3+])C2)cc1 ZINC000854216557 928171382 /nfs/dbraw/zinc/17/13/82/928171382.db2.gz AHSGPDMABRHQEA-GRDNDAEWSA-N 2 0 289.423 1.991 10 10 CDCERP [NH3+]CC1(CC[NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000844902315 784807558 /nfs/dbraw/zinc/80/75/58/784807558.db2.gz PGRCMTRBBHNZDK-UHFFFAOYSA-N 2 0 264.325 1.340 10 10 CDCERP COc1cccc(O)c1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843117324 785395258 /nfs/dbraw/zinc/39/52/58/785395258.db2.gz ONULQVSLMBJJDV-MRXNPFEDSA-N 2 0 276.380 1.976 10 10 CDCERP CN(C)c1ccc(/C=C\C[NH2+]CCOCCC[NH3+])cc1 ZINC000863649579 789324855 /nfs/dbraw/zinc/32/48/55/789324855.db2.gz FWUJNTMFAMFXIR-HYXAFXHYSA-N 2 0 277.412 1.721 10 10 CDCERP COc1cccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1O ZINC000843124365 789998872 /nfs/dbraw/zinc/99/88/72/789998872.db2.gz ZEEACJGUWZTHMU-MRXNPFEDSA-N 2 0 276.380 1.976 10 10 CDCERP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843051796 793902423 /nfs/dbraw/zinc/90/24/23/793902423.db2.gz FGQWFRAWHIHFNB-MRXNPFEDSA-N 2 0 289.423 1.565 10 10 CDCERP COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)C3C[NH2+]C3)C2)cc1 ZINC000854216708 928171551 /nfs/dbraw/zinc/17/15/51/928171551.db2.gz CZTWHWQGYSRJGO-GXTWGEPZSA-N 2 0 275.396 1.471 10 10 CDCERP COc1cccc(C[NH2+]CCCC[NH+](C)C)c1O ZINC000045663376 526014710 /nfs/dbraw/zinc/01/47/10/526014710.db2.gz IFYTYZRSPZWYNP-UHFFFAOYSA-N 2 0 252.358 1.832 10 10 CDCERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000863544522 798012814 /nfs/dbraw/zinc/01/28/14/798012814.db2.gz WMNGQQZHAGOLGE-ZDUSSCGKSA-N 2 0 266.385 1.896 10 10 CDCERP Oc1cc2c(cc1C[N@H+]1CC[C@H]3C[NH2+]C[C@H]3CC1)OCO2 ZINC000843126096 919756028 /nfs/dbraw/zinc/75/60/28/919756028.db2.gz GEVVPDYLBBAGIX-TXEJJXNPSA-N 2 0 290.363 1.552 10 10 CDCERP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCN3C)C1 ZINC000071142529 176040005 /nfs/dbraw/zinc/04/00/05/176040005.db2.gz HIXXQJRAKPLIHO-AWEZNQCLSA-N 2 0 259.397 1.720 10 10 CDCERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc(F)ccc1O ZINC000925811760 617755012 /nfs/dbraw/zinc/75/50/12/617755012.db2.gz KUDOQIAVLZDMPC-NSHDSACASA-N 2 0 281.375 1.605 10 10 CDCERP COc1ccc(O)c(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000841063651 618679169 /nfs/dbraw/zinc/67/91/69/618679169.db2.gz MTVPBBDFLHWNKW-GWCFXTLKSA-N 2 0 250.342 1.488 10 10 CDCERP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4C[C@]4(O)C3)cc2)CC1 ZINC000895653511 619790233 /nfs/dbraw/zinc/79/02/33/619790233.db2.gz MMNBULHSBJRALD-RDJZCZTQSA-N 2 0 287.407 1.005 10 10 CDCERP C[C@H]1[C@@H]([NH3+])CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000841023443 811840277 /nfs/dbraw/zinc/84/02/77/811840277.db2.gz CWWGIZGPXVVRSX-YOEHRIQHSA-N 2 0 288.439 1.360 10 10 CDCERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000817900552 812800261 /nfs/dbraw/zinc/80/02/61/812800261.db2.gz NBQPPQCYQYLUQH-INIZCTEOSA-N 2 0 291.439 1.913 10 10 CDCERP COc1ccc(N2CC[C@H]([NH2+][C@H]3CCC[C@H]3[NH3+])C2)cc1 ZINC000854217193 813127823 /nfs/dbraw/zinc/12/78/23/813127823.db2.gz KLXKOUSRCUYHME-MAZHCROVSA-N 2 0 275.396 1.743 10 10 CDCERP CN(C)c1ccc(/C=C/C[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000841045249 621587680 /nfs/dbraw/zinc/58/76/80/621587680.db2.gz QNWWARXULNSGGN-ONEGZZNKSA-N 2 0 288.439 1.261 10 10 CDCERP COc1ccc(O)c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903967104 626172232 /nfs/dbraw/zinc/17/22/32/626172232.db2.gz HAHOJUSDOYKMNY-PWSUYJOCSA-N 2 0 250.342 1.346 10 10 CDCERP C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@@]1(C)C[NH3+] ZINC000841087364 818762712 /nfs/dbraw/zinc/76/27/12/818762712.db2.gz LPXVFPUCTVSVHZ-MEBBXXQBSA-N 2 0 278.352 1.538 10 10 CDCERP CN(C)c1ccc(/C=C\C[NH2+]CCOCC[NH+](C)C)cc1 ZINC000842205102 820898465 /nfs/dbraw/zinc/89/84/65/820898465.db2.gz BZIMXPBONKRYMK-WAYWQWQTSA-N 2 0 291.439 1.934 10 10 CDCERP CN(C)c1ccc(/C=C\C[N@H+](C)CCOCC[NH3+])cc1 ZINC000863652189 821341402 /nfs/dbraw/zinc/34/14/02/821341402.db2.gz PILMJDWBVXFOBU-PLNGDYQASA-N 2 0 277.412 1.673 10 10 CDCERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(N(C)C)cc1 ZINC000234794411 932608072 /nfs/dbraw/zinc/60/80/72/932608072.db2.gz BIIUXALWBOKJAB-AWEZNQCLSA-N 2 0 265.401 1.596 10 10 CDCERP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000853247570 824925178 /nfs/dbraw/zinc/92/51/78/824925178.db2.gz UHDJYXXRZZOQRV-QGZVFWFLSA-N 2 0 291.439 1.986 10 10 CDCERP COc1cc(O)c(CN[C@@H]2CCCC[NH2+]C2)cc1OC ZINC000841090814 826357762 /nfs/dbraw/zinc/35/77/62/826357762.db2.gz RBRUVTWCJOOANY-GFCCVEGCSA-N 2 0 280.368 1.641 10 10 CDCERP CC[NH+](CC)CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273724 826371845 /nfs/dbraw/zinc/37/18/45/826371845.db2.gz PLJPRUULUPKHGM-OAHLLOKOSA-N 2 0 292.427 1.210 10 10 CDCERP [NH3+]Cc1ccc2c(c1)CCCN2C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000852740996 826844376 /nfs/dbraw/zinc/84/43/76/826844376.db2.gz NUKAYSOUJPEXJY-OAHLLOKOSA-N 2 0 287.407 1.419 10 10 CDCERP C[C@]1(CN2CCCc3cc(C[NH3+])ccc32)CC[NH2+]C1 ZINC000843058197 618691818 /nfs/dbraw/zinc/69/18/18/618691818.db2.gz OIIRJAPXPALFHI-INIZCTEOSA-N 2 0 259.397 1.898 10 10 CDCERP Nc1ccc(CC[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903916685 626157290 /nfs/dbraw/zinc/15/72/90/626157290.db2.gz ISBKNIVRKXYMBG-VHRNVKJDSA-N 2 0 259.397 1.932 10 10 CDCERP COc1ccc(N2CC[C@H]([NH2+][C@H]3CCC[C@@H]3[NH3+])C2)cc1 ZINC000854217194 833085500 /nfs/dbraw/zinc/08/55/00/833085500.db2.gz KLXKOUSRCUYHME-RCBQFDQVSA-N 2 0 275.396 1.743 10 10 CDCERP CCOc1ccc(C[N@H+](C)CCOCC[NH2+]C)c(O)c1 ZINC000863647584 832983365 /nfs/dbraw/zinc/98/33/65/832983365.db2.gz QXFJWXSYCAVYQO-UHFFFAOYSA-N 2 0 282.384 1.459 10 10 CDCERP COC[C@H](CCC[NH3+])[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817941861 834396487 /nfs/dbraw/zinc/39/64/87/834396487.db2.gz LHGRZEIROGRUSC-HOCLYGCPSA-N 2 0 294.443 1.096 10 10 CDCERP CCOc1cccc(C[NH2+]CCOCCC[NH3+])c1O ZINC000863484509 835769725 /nfs/dbraw/zinc/76/97/25/835769725.db2.gz JCWUDQQKJKALMT-UHFFFAOYSA-N 2 0 268.357 1.246 10 10 CDCERP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817941863 840834573 /nfs/dbraw/zinc/83/45/73/840834573.db2.gz LHGRZEIROGRUSC-ZBFHGGJFSA-N 2 0 294.443 1.096 10 10 CDCERP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cc(F)ccc1O ZINC000863541514 842716781 /nfs/dbraw/zinc/71/67/81/842716781.db2.gz NLFXHJZCJFWIBS-JTQLQIEISA-N 2 0 268.332 1.690 10 10 CDCERP CCOc1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1O ZINC000380782416 844074672 /nfs/dbraw/zinc/07/46/72/844074672.db2.gz UTKOWKICLSKQPA-UBHSHLNASA-N 2 0 276.380 1.960 10 10 CDCERP CCOc1cccc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1O ZINC000703607987 845770448 /nfs/dbraw/zinc/77/04/48/845770448.db2.gz NLJFORVVSQYXJK-XJKSGUPXSA-N 2 0 276.380 1.832 10 10 CDCERP Cc1cc(CN2CCC[C@@]([NH3+])(CO)C2)ccc1N(C)C ZINC000923470794 846870942 /nfs/dbraw/zinc/87/09/42/846870942.db2.gz BJBXZYOSULOQIB-INIZCTEOSA-N 2 0 277.412 1.347 10 10 CDCERP COc1cccc(O)c1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000841063593 847275532 /nfs/dbraw/zinc/27/55/32/847275532.db2.gz LFFPPTDYEJJCLA-ZYHUDNBSSA-N 2 0 250.342 1.488 10 10 CDCERP C[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000040165696 174197737 /nfs/dbraw/zinc/19/77/37/174197737.db2.gz YZURDUCOBLVBSX-HNNXBMFYSA-N 2 0 290.455 1.478 10 10 CDCERP [NH3+]CCCOCC[NH2+]Cc1cc(Cl)ccc1O ZINC000863483510 848624510 /nfs/dbraw/zinc/62/45/10/848624510.db2.gz BWKLJLHZSJJKLZ-UHFFFAOYSA-N 2 0 258.749 1.501 10 10 CDCERP COc1cc(Cl)cc(CN[C@@H]2CC[NH2+][C@H]2C)c1O ZINC000863487252 849508484 /nfs/dbraw/zinc/50/84/84/849508484.db2.gz MFWGPXDWCVDVQR-GZMMTYOYSA-N 2 0 270.760 1.894 10 10 CDCERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@H]12 ZINC000310843869 850272756 /nfs/dbraw/zinc/27/27/56/850272756.db2.gz OESMABVBXKTIJC-TVYUQYBPSA-N 2 0 250.317 1.700 10 10 CDCERP [NH3+]C1(C[NH2+][C@H]2CCc3cccc(O)c32)CCOCC1 ZINC000863540419 850466253 /nfs/dbraw/zinc/46/62/53/850466253.db2.gz DLCYCSKMUAWNIY-LBPRGKRZSA-N 2 0 262.353 1.477 10 10 CDCERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Cl)ccc1O ZINC000903963957 626171037 /nfs/dbraw/zinc/17/10/37/626171037.db2.gz BAIVRBCJJIOKPE-KOLCDFICSA-N 2 0 254.761 1.991 10 10 CDCERP Oc1cc2c(cc1C[NH2+]CCC[NH+]1CCCC1)OCO2 ZINC000042879462 626213998 /nfs/dbraw/zinc/21/39/98/626213998.db2.gz QOJPQKNWQSBAML-UHFFFAOYSA-N 2 0 278.352 1.696 10 10 CDCERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(N(C)C)cc1C ZINC000817892988 710313303 /nfs/dbraw/zinc/31/33/03/710313303.db2.gz AZJURWARSBHOHA-HNNXBMFYSA-N 2 0 279.428 1.905 10 10 CDCERP [NH3+]C1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCOCC1 ZINC000863540418 711566927 /nfs/dbraw/zinc/56/69/27/711566927.db2.gz DLCYCSKMUAWNIY-GFCCVEGCSA-N 2 0 262.353 1.477 10 10 CDCERP [NH3+]CCCOCC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001329221149 955761948 /nfs/dbraw/zinc/76/19/48/955761948.db2.gz CZNBVOIEFZCGEN-UHFFFAOYSA-N 2 0 277.412 1.742 10 10 CDCERP Cc1ccc(O)c([C@H](C)[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000038031126 174024937 /nfs/dbraw/zinc/02/49/37/174024937.db2.gz POZBIAGFQAKNFD-ZDUSSCGKSA-N 2 0 291.395 1.125 10 10 CDCERP CN(C)c1ccc([C@@H]([NH3+])CNC[C@]2(C)CC[NH2+]C2)cc1 ZINC000843126339 919762813 /nfs/dbraw/zinc/76/28/13/919762813.db2.gz OCLWWMYELKGHRA-JKSUJKDBSA-N 2 0 276.428 1.342 10 10 CDCERP C[NH2+]CCOCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000863544611 929568873 /nfs/dbraw/zinc/56/88/73/929568873.db2.gz ZDSDCHZHGQOWAZ-LBPRGKRZSA-N 2 0 252.358 1.587 10 10 CDCERP [NH3+]CCC[C@H]([NH3+])c1ccc(Br)cc1O ZINC000575440459 364999050 /nfs/dbraw/zinc/99/90/50/364999050.db2.gz WJFMQFUGDHWEPR-VIFPVBQESA-N 2 0 259.147 1.893 10 10 CDCERP CN(C)c1ccc([C@H]([NH3+])CN[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925689157 617684029 /nfs/dbraw/zinc/68/40/29/617684029.db2.gz HAZOJFPPRGZQOP-HZPDHXFCSA-N 2 0 288.439 1.627 10 10 CDCERP COc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000841063654 618679694 /nfs/dbraw/zinc/67/96/94/618679694.db2.gz MTVPBBDFLHWNKW-ZWNOBZJWSA-N 2 0 250.342 1.488 10 10 CDCERP C[NH2+]CCOCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000863544105 929566508 /nfs/dbraw/zinc/56/65/08/929566508.db2.gz LABUPVIRBFPQFU-JQWIXIFHSA-N 2 0 282.359 1.905 10 10 CDCERP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H](C)O ZINC000808424688 931725375 /nfs/dbraw/zinc/72/53/75/931725375.db2.gz RLMUMYYBLOYZSW-KGLIPLIRSA-N 2 0 277.412 1.297 10 10 CDCERP CCOc1ccc(C[NH2+]C[C@@H]2CCCN2C)c(O)c1 ZINC000858307201 928834280 /nfs/dbraw/zinc/83/42/80/928834280.db2.gz DAYQEONCMJDHEB-ZDUSSCGKSA-N 2 0 264.369 1.975 10 10 CDCERP CCOc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1O ZINC000380782409 678631241 /nfs/dbraw/zinc/63/12/41/678631241.db2.gz UTKOWKICLSKQPA-FPMFFAJLSA-N 2 0 276.380 1.960 10 10 CDCERP c1cc(C[NH2+]CCCC[NH+]2CCOCC2)cc2c1OCC2 ZINC000078822658 1172640150 /nfs/dbraw/zinc/64/01/50/1172640150.db2.gz RYBPQXFIGDFBNL-UHFFFAOYSA-N 2 0 290.407 1.824 10 10 CDCERP COCC[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC000844899838 683337182 /nfs/dbraw/zinc/33/71/82/683337182.db2.gz GVDZODVCUPGWEQ-UHFFFAOYSA-N 2 0 264.369 1.593 10 10 CDCERP Cc1ccc(Br)c([C@@H]([NH3+])CC[NH3+])c1O ZINC000306576909 360542535 /nfs/dbraw/zinc/54/25/35/360542535.db2.gz KXCVVLCQEOFXQF-QMMMGPOBSA-N 2 0 259.147 1.812 10 10 CDCERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841064916 618679231 /nfs/dbraw/zinc/67/92/31/618679231.db2.gz WEBQNFCUGUTQLT-FZMZJTMJSA-N 2 0 265.376 1.979 10 10 CDCERP Cc1ccc(O)c([C@H](C)[NH2+]CCOCCC[NH3+])c1 ZINC000863545084 684319073 /nfs/dbraw/zinc/31/90/73/684319073.db2.gz GWHYXHQRUJHOPP-LBPRGKRZSA-N 2 0 252.358 1.717 10 10 CDCERP COc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000709971992 685089907 /nfs/dbraw/zinc/08/99/07/685089907.db2.gz QZWHBFWEGIXHPK-MRXNPFEDSA-N 2 0 276.380 1.976 10 10 CDCERP CCO[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@H]1C[NH3+] ZINC000844905196 686381813 /nfs/dbraw/zinc/38/18/13/686381813.db2.gz JNCKMKUHIOYMBX-CZUORRHYSA-N 2 0 295.402 1.687 10 10 CDCERP [NH3+]CCCOCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000863485374 620861913 /nfs/dbraw/zinc/86/19/13/620861913.db2.gz ZYSAJVSWOXKSHX-UHFFFAOYSA-N 2 0 250.342 1.077 10 10 CDCERP COc1cc(O)c(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1OC ZINC000903973358 626168939 /nfs/dbraw/zinc/16/89/39/626168939.db2.gz AMWFSOQACLRSOG-VXGBXAGGSA-N 2 0 294.395 1.745 10 10 CDCERP COc1cccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1O ZINC000311497428 688899523 /nfs/dbraw/zinc/89/95/23/688899523.db2.gz KVYLHQLXICTUAI-IAQYHMDHSA-N 2 0 264.369 1.818 10 10 CDCERP Cc1ccc([C@H](C)[NH2+]CC2([NH3+])CCOCC2)c(O)c1 ZINC000863542726 694862985 /nfs/dbraw/zinc/86/29/85/694862985.db2.gz YBZAWKIDEHTWBH-LBPRGKRZSA-N 2 0 264.369 1.859 10 10 CDCERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccccc1O ZINC000850354118 927422122 /nfs/dbraw/zinc/42/21/22/927422122.db2.gz VWZRQYKTMXMZPZ-AWEZNQCLSA-N 2 0 279.428 1.754 10 10 CDCERP COc1ccc(O)c([C@@H](C)[NH2+]CCOCCC[NH3+])c1 ZINC000863547066 929568333 /nfs/dbraw/zinc/56/83/33/929568333.db2.gz OPRPYNAZSNRNSI-LLVKDONJSA-N 2 0 268.357 1.417 10 10 CDCERP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(OC)ccc2O)C1 ZINC000037644200 521710745 /nfs/dbraw/zinc/71/07/45/521710745.db2.gz LXHFYJJRFPIWKN-LBPRGKRZSA-N 2 0 264.369 1.832 10 10 CDCERP COc1ccc(O)c([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)c1 ZINC000925810176 617751710 /nfs/dbraw/zinc/75/17/10/617751710.db2.gz CNTQQEANPABTCC-GFCCVEGCSA-N 2 0 293.411 1.475 10 10 CDCERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccccc1O ZINC000925814642 617763016 /nfs/dbraw/zinc/76/30/16/617763016.db2.gz KOUXGMCQCYUFEU-LBPRGKRZSA-N 2 0 263.385 1.466 10 10 CDCERP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817941858 723948911 /nfs/dbraw/zinc/94/89/11/723948911.db2.gz LHGRZEIROGRUSC-GDBMZVCRSA-N 2 0 294.443 1.096 10 10 CDCERP CCC[N@@H+](Cc1ccccc1O)C[C@H]1CNCCO1 ZINC000852745103 724822332 /nfs/dbraw/zinc/82/23/32/724822332.db2.gz OWLIOWVENCRIPP-CQSZACIVSA-N 2 0 264.369 1.593 10 10 CDCERP C[NH2+]CCOCC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000863544399 725359458 /nfs/dbraw/zinc/35/94/58/725359458.db2.gz SPPGJKKNRJXFLB-SNVBAGLBSA-N 2 0 272.776 1.932 10 10 CDCERP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000841076632 725405105 /nfs/dbraw/zinc/40/51/05/725405105.db2.gz KMEIDRALFFORJD-SFYZADRCSA-N 2 0 273.174 1.980 10 10 CDCERP COc1ccc(O)c([C@H](C)[NH2+]CCOCCC[NH3+])c1 ZINC000863547067 725947264 /nfs/dbraw/zinc/94/72/64/725947264.db2.gz OPRPYNAZSNRNSI-NSHDSACASA-N 2 0 268.357 1.417 10 10 CDCERP COc1ccc(C[NH2+]CCOCCC[NH3+])cc1C ZINC000863484904 727251848 /nfs/dbraw/zinc/25/18/48/727251848.db2.gz PUNYUEJTYYAEDM-UHFFFAOYSA-N 2 0 252.358 1.459 10 10 CDCERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000841063392 726922693 /nfs/dbraw/zinc/92/26/93/726922693.db2.gz IFGZBROLBRCMEW-ONGXEEELSA-N 2 0 264.325 1.209 10 10 CDCERP C[NH2+]CCOCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000863544478 727816809 /nfs/dbraw/zinc/81/68/09/727816809.db2.gz VNADPKUCOXYSLJ-GFCCVEGCSA-N 2 0 250.342 1.205 10 10 CDCERP CN(C)c1ccc([C@H]([NH3+])CNC[C@]2(C)CC[NH2+]C2)cc1 ZINC000843126337 727862179 /nfs/dbraw/zinc/86/21/79/727862179.db2.gz OCLWWMYELKGHRA-HZPDHXFCSA-N 2 0 276.428 1.342 10 10 CDCERP Cc1cc(Cl)cc(C[NH2+]CCCN2CC[NH2+]CC2)c1O ZINC000841030003 728198964 /nfs/dbraw/zinc/19/89/64/728198964.db2.gz QKQPKAQVCAWPRB-UHFFFAOYSA-N 2 0 297.830 1.739 10 10 CDCERP [NH3+]CCC[C@@H]([NH3+])c1ccc(Br)cc1O ZINC000575440233 364995845 /nfs/dbraw/zinc/99/58/45/364995845.db2.gz WJFMQFUGDHWEPR-SECBINFHSA-N 2 0 259.147 1.893 10 10 CDCERP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000925782672 617697476 /nfs/dbraw/zinc/69/74/76/617697476.db2.gz AEAVZBUWSIOSMD-WOPDTQHZSA-N 2 0 264.369 1.907 10 10 CDCERP C[C@H](C[NH3+])N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000843051769 729474922 /nfs/dbraw/zinc/47/49/22/729474922.db2.gz LNILWQGOAJTMBM-CYBMUJFWSA-N 2 0 263.385 1.302 10 10 CDCERP CN(C)c1ccc(/C=C\CN(C)C[C@H](O)C[NH3+])cc1 ZINC000841092241 936975338 /nfs/dbraw/zinc/97/53/38/936975338.db2.gz LRSMEMNLPLAYJX-FOSCPCJNSA-N 2 0 263.385 1.017 10 10 CDCERP Cc1ccc([C@H](C)[NH2+]CCOCCC[NH3+])c(O)c1 ZINC000863547060 731514981 /nfs/dbraw/zinc/51/49/81/731514981.db2.gz OOCDBCRCNBKSKX-LBPRGKRZSA-N 2 0 252.358 1.717 10 10 CDCERP C[C@@H]([NH2+]Cc1cc(Br)ccc1O)[C@H](C)[NH3+] ZINC000841076631 936974174 /nfs/dbraw/zinc/97/41/74/936974174.db2.gz KMEIDRALFFORJD-JGVFFNPUSA-N 2 0 273.174 1.980 10 10 CDCERP C[NH2+]Cc1ccc(N2CCC[N@H+](C)CC2)c(F)c1 ZINC000034824320 171878195 /nfs/dbraw/zinc/87/81/95/171878195.db2.gz LVHOFOQYSFMNNJ-UHFFFAOYSA-N 2 0 251.349 1.687 10 10 CDCERP C[C@@H]([NH2+]CCC[NH3+])c1ccc(N2CCOCC2)c(F)c1 ZINC000817938463 734172042 /nfs/dbraw/zinc/17/20/42/734172042.db2.gz LAXFJNSXYWKHON-GFCCVEGCSA-N 2 0 281.375 1.662 10 10 CDCERP C[C@@H]1C[NH2+]C[C@@H](NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000843126332 734848035 /nfs/dbraw/zinc/84/80/35/734848035.db2.gz OAKMBDMIFAAGSW-NOLJZWGESA-N 2 0 276.428 1.340 10 10 CDCERP C[N@H+](CCOc1ccc(N)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000071187773 176061948 /nfs/dbraw/zinc/06/19/48/176061948.db2.gz ZSEZQRDQJCIALS-CYBMUJFWSA-N 2 0 263.385 1.531 10 10 CDCERP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCCO3)cc2)CC1 ZINC000107797403 736833929 /nfs/dbraw/zinc/83/39/29/736833929.db2.gz MIZQYLGVQBYIPD-KRWDZBQOSA-N 2 0 289.423 1.707 10 10 CDCERP COc1cc(O)c(CN[C@@H]2C[NH2+]CC[C@H]2C)cc1OC ZINC000841059982 737188521 /nfs/dbraw/zinc/18/85/21/737188521.db2.gz ZFSKDMBNFXAAIK-ZYHUDNBSSA-N 2 0 280.368 1.497 10 10 CDCERP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000853247447 737565353 /nfs/dbraw/zinc/56/53/53/737565353.db2.gz PSCGXYGFXJBMBJ-LLVKDONJSA-N 2 0 266.341 1.584 10 10 CDCERP CCOc1ccc(O)c(C[NH2+]CC2([NH3+])CCOCC2)c1 ZINC000863482360 739522337 /nfs/dbraw/zinc/52/23/37/739522337.db2.gz ZHRUTUPSZMLRHD-UHFFFAOYSA-N 2 0 280.368 1.388 10 10 CDCERP Cc1cc(Cl)cc(C[N@H+](C)C[C@@H](O)C[NH3+])c1O ZINC000841093104 742832937 /nfs/dbraw/zinc/83/29/37/742832937.db2.gz QRYYVPKURPVYAV-NSHDSACASA-N 2 0 258.749 1.105 10 10 CDCERP Cc1cc(Br)cc([C@@H]([NH3+])CC[NH3+])c1O ZINC000306835762 362870585 /nfs/dbraw/zinc/87/05/85/362870585.db2.gz RVMVZIHGCBDWSG-VIFPVBQESA-N 2 0 259.147 1.812 10 10 CDCERP CN(C)c1ccc(/C=C/C[NH+]2CCC(O)(C[NH3+])CC2)cc1 ZINC000841108146 618644076 /nfs/dbraw/zinc/64/40/76/618644076.db2.gz OSQKZBMIODQFOR-ONEGZZNKSA-N 2 0 289.423 1.551 10 10 CDCERP CN(C)c1ccc([C@H]([NH3+])CN[C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925691835 747107546 /nfs/dbraw/zinc/10/75/46/747107546.db2.gz NCQDPCYZMWLVIV-PMPSAXMXSA-N 2 0 288.439 1.612 10 10 CDCERP CN(C)c1ccc([C@H]([NH3+])CN[C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925691831 747876457 /nfs/dbraw/zinc/87/64/57/747876457.db2.gz NCQDPCYZMWLVIV-OAGGEKHMSA-N 2 0 288.439 1.612 10 10 CDCERP C[C@H](C[NH2+]Cc1ccc(N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000040165697 174197494 /nfs/dbraw/zinc/19/74/94/174197494.db2.gz YZURDUCOBLVBSX-OAHLLOKOSA-N 2 0 290.455 1.478 10 10 CDCERP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(OC)c2O)C1 ZINC000037644045 521717004 /nfs/dbraw/zinc/71/70/04/521717004.db2.gz OKZWPIJEHJSOSI-GFCCVEGCSA-N 2 0 264.369 1.832 10 10 CDCERP [NH3+]C1(C[NH2+]Cc2cc(F)ccc2O)CCOCC1 ZINC000863482236 620861988 /nfs/dbraw/zinc/86/19/88/620861988.db2.gz WXJKBHDPJSVNHY-UHFFFAOYSA-N 2 0 254.305 1.129 10 10 CDCERP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000827855301 749508524 /nfs/dbraw/zinc/50/85/24/749508524.db2.gz AFGDXSPHEZGWDB-HNNXBMFYSA-N 2 0 278.396 1.935 10 10 CDCERP C[N@H+](CCCO)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000799739518 749782192 /nfs/dbraw/zinc/78/21/92/749782192.db2.gz ITMQCYACNRZMMT-UHFFFAOYSA-N 2 0 277.412 1.253 10 10 CDCERP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cc(F)ccc1O ZINC000863541515 750447142 /nfs/dbraw/zinc/44/71/42/750447142.db2.gz NLFXHJZCJFWIBS-SNVBAGLBSA-N 2 0 268.332 1.690 10 10 CDCERP COc1ccc(N2CC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C2)cc1 ZINC000854217302 751164315 /nfs/dbraw/zinc/16/43/15/751164315.db2.gz MHXNVICKRRQRGJ-RDBSUJKOSA-N 2 0 277.412 1.989 10 10 CDCERP C[C@H]([NH3+])[C@H](C)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000841076734 751311016 /nfs/dbraw/zinc/31/10/16/751311016.db2.gz NRTSRYZAETYFJB-KBPBESRZSA-N 2 0 276.428 1.264 10 10 CDCERP COc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)c1O ZINC000841063283 936974304 /nfs/dbraw/zinc/97/43/04/936974304.db2.gz HYOLQLDLHMNREQ-PWSUYJOCSA-N 2 0 250.342 1.488 10 10 CDCERP CCN(CCO)CC[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000187569440 357780112 /nfs/dbraw/zinc/78/01/12/357780112.db2.gz CCGKFDHHIMKHJT-UHFFFAOYSA-N 2 0 286.803 1.758 10 10 CDCERP Cc1cccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1O ZINC000843431362 756822009 /nfs/dbraw/zinc/82/20/09/756822009.db2.gz CZQWWKFCXBWPEU-UHFFFAOYSA-N 2 0 290.407 1.997 10 10 CDCERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000863543075 758828563 /nfs/dbraw/zinc/82/85/63/758828563.db2.gz KHAHUCHCWZHBLR-CYBMUJFWSA-N 2 0 265.401 1.639 10 10 CDCERP N#[N+]CC(=O)CCCCCCCCC(=O)C[N+]#N ZINC000037625986 534973896 /nfs/dbraw/zinc/97/38/96/534973896.db2.gz VHBLATWBDHHTHC-UHFFFAOYSA-N 2 0 250.302 1.847 10 10 CDCERP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c(O)c1 ZINC000841064044 618679349 /nfs/dbraw/zinc/67/93/49/618679349.db2.gz OIZFAMBNNXHATR-SMDDNHRTSA-N 2 0 264.369 1.879 10 10 CDCERP COc1cccc(O)c1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903977758 626170034 /nfs/dbraw/zinc/17/00/34/626170034.db2.gz YRSIWRHIIFQENO-VXGBXAGGSA-N 2 0 264.369 1.818 10 10 CDCERP COc1cccc(O)c1C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000853247599 769007918 /nfs/dbraw/zinc/00/79/18/769007918.db2.gz UXJRGJXPTIGYPU-GFCCVEGCSA-N 2 0 252.358 1.864 10 10 CDCERP Cc1cc(O)c(C[NH2+]CCCN2CC[NH2+]CC2)c(Cl)c1 ZINC000841031210 771166737 /nfs/dbraw/zinc/16/67/37/771166737.db2.gz YREJJQDAGPLMHO-UHFFFAOYSA-N 2 0 297.830 1.739 10 10 CDCERP COc1c(O)c(CN[C@H]2CCCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841088618 774837196 /nfs/dbraw/zinc/83/71/96/774837196.db2.gz BBOIGHIEOYHZFV-NSHDSACASA-N 2 0 295.339 1.541 10 10 CDCERP CCOc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000841063252 778310614 /nfs/dbraw/zinc/31/06/14/778310614.db2.gz HDJRILVUZQUEOQ-BXUZGUMPSA-N 2 0 264.369 1.879 10 10 CDCERP CN(C)c1ccc([C@@H]([NH3+])CNC[C@@]2(C)CC[NH2+]C2)cc1 ZINC000843126336 779514793 /nfs/dbraw/zinc/51/47/93/779514793.db2.gz OCLWWMYELKGHRA-HOTGVXAUSA-N 2 0 276.428 1.342 10 10 CDCERP C[NH2+]CCOCC[N@H+](C)Cc1cc(C)ccc1O ZINC000706620964 779817831 /nfs/dbraw/zinc/81/78/31/779817831.db2.gz OUICAJFMHDUZNG-UHFFFAOYSA-N 2 0 252.358 1.368 10 10 CDCERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000817900553 930624524 /nfs/dbraw/zinc/62/45/24/930624524.db2.gz NBQPPQCYQYLUQH-MRXNPFEDSA-N 2 0 291.439 1.913 10 10 CDCERP COc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c1O ZINC000841063282 783058685 /nfs/dbraw/zinc/05/86/85/783058685.db2.gz HYOLQLDLHMNREQ-JQWIXIFHSA-N 2 0 250.342 1.488 10 10 CDCERP COc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1O ZINC000708834657 923194756 /nfs/dbraw/zinc/19/47/56/923194756.db2.gz GTAODPUFOXUVQT-ZYHUDNBSSA-N 2 0 250.342 1.427 10 10 CDCERP CC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccccc1O ZINC000863540340 929566912 /nfs/dbraw/zinc/56/69/12/929566912.db2.gz CSFADQZCVDXSBI-CYBMUJFWSA-N 2 0 264.369 1.941 10 10 CDCERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(N(C)C)cc1 ZINC000925810442 932940325 /nfs/dbraw/zinc/94/03/25/932940325.db2.gz NOSCPDWQTRZBFR-AWEZNQCLSA-N 2 0 290.455 1.826 10 10 CDCERP Nc1c2ccccc2[nH+]c2c(C(=O)NCC[NH3+])cccc12 ZINC000029250640 359055865 /nfs/dbraw/zinc/05/58/65/359055865.db2.gz QAEKFVDQNLDMLB-UHFFFAOYSA-N 2 0 280.331 1.659 10 10 CDCERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000841063390 936974001 /nfs/dbraw/zinc/97/40/01/936974001.db2.gz IFGZBROLBRCMEW-KOLCDFICSA-N 2 0 264.325 1.209 10 10 CDCERP C[C@@H](O)[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000808424689 931724539 /nfs/dbraw/zinc/72/45/39/931724539.db2.gz RLMUMYYBLOYZSW-UONOGXRCSA-N 2 0 277.412 1.297 10 10 CDCERP C[NH2+]Cc1ccc(N(C)C[C@@H]2CC[N@H+](C)C2)c(F)c1 ZINC000071190027 176065639 /nfs/dbraw/zinc/06/56/39/176065639.db2.gz TUIOWXSGSYTZHL-CYBMUJFWSA-N 2 0 265.376 1.933 10 10 CDCERP C[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc(N2CCOCC2)cc1 ZINC000923413510 785872568 /nfs/dbraw/zinc/87/25/68/785872568.db2.gz QAUHYQHYMWCQIK-UKRRQHHQSA-N 2 0 275.396 1.445 10 10 CDCERP COc1ccc(O)c(C[N@H+](C)C[C@H]2CC[NH+](C)C2)c1 ZINC000156018700 263039326 /nfs/dbraw/zinc/03/93/26/263039326.db2.gz JBHQBNLFRQDRBI-LBPRGKRZSA-N 2 0 264.369 1.784 10 10 CDCERP C[NH+](C)[C@H]1CCN(c2c(F)cc(C[NH3+])cc2F)C1 ZINC000062967047 522106029 /nfs/dbraw/zinc/10/60/29/522106029.db2.gz UZSPVLZNHYHLAN-JTQLQIEISA-N 2 0 255.312 1.564 10 10 CDCERP COc1cc(O)c(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1OC ZINC000903977738 626169992 /nfs/dbraw/zinc/16/99/92/626169992.db2.gz XZZKCYSHOYDUNI-VXGBXAGGSA-N 2 0 294.395 1.826 10 10 CDCERP COc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1O ZINC000313190563 792095137 /nfs/dbraw/zinc/09/51/37/792095137.db2.gz MCJQFDUUTXJOJS-BETUJISGSA-N 2 0 276.380 1.832 10 10 CDCERP Cc1ccc(O)c([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)c1 ZINC000925813245 795638262 /nfs/dbraw/zinc/63/82/62/795638262.db2.gz UCUUUPXLRWOZOK-ZDUSSCGKSA-N 2 0 277.412 1.774 10 10 CDCERP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccccc1O ZINC000863542750 796039452 /nfs/dbraw/zinc/03/94/52/796039452.db2.gz YPZILFCUESOYCI-LLVKDONJSA-N 2 0 250.342 1.551 10 10 CDCERP COc1cc(Br)cc([C@H]([NH3+])CCC[NH3+])c1O ZINC000575439124 391381914 /nfs/dbraw/zinc/38/19/14/391381914.db2.gz PIBQHHVKJDMIOA-SECBINFHSA-N 2 0 289.173 1.902 10 10 CDCERP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(OC)c2O)C1 ZINC000037644046 521710524 /nfs/dbraw/zinc/71/05/24/521710524.db2.gz OKZWPIJEHJSOSI-LBPRGKRZSA-N 2 0 264.369 1.832 10 10 CDCERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cc(F)ccc1O ZINC000903974844 626169252 /nfs/dbraw/zinc/16/92/52/626169252.db2.gz UIKXOELSOUCUKA-GHMZBOCLSA-N 2 0 252.333 1.867 10 10 CDCERP [NH3+]C1(C[NH2+]Cc2cc(Cl)ccc2O)CCOCC1 ZINC000863481160 797383613 /nfs/dbraw/zinc/38/36/13/797383613.db2.gz AOAUFNCAWDOANN-UHFFFAOYSA-N 2 0 270.760 1.643 10 10 CDCERP COC(=O)c1ccc(O)c([C@@H](C)NCC23CC(C2)C[NH2+]3)c1 ZINC000854226996 928173568 /nfs/dbraw/zinc/17/35/68/928173568.db2.gz KGCKUCOYHXQZET-VHTNMKBUSA-N 2 0 290.363 1.581 10 10 CDCERP C[NH2+]CCOCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000863544130 929567309 /nfs/dbraw/zinc/56/73/09/929567309.db2.gz LTPYNTQWTRVKCL-CYBMUJFWSA-N 2 0 266.385 1.896 10 10 CDCERP COc1ccc(N2CC[C@H]([NH2+]C[C@]3(C)CC[NH2+]C3)C2)cc1 ZINC000849350739 969941029 /nfs/dbraw/zinc/94/10/29/969941029.db2.gz UQDHEPAFLZRXDR-WMLDXEAASA-N 2 0 289.423 1.863 10 10 CDCERP CCN(CC)c1ccc(C[NH2+]CCC[NH2+]CCO)cc1 ZINC000013733119 356355871 /nfs/dbraw/zinc/35/58/71/356355871.db2.gz ISWATOMXVJBVIS-UHFFFAOYSA-N 2 0 279.428 1.594 10 10 CDCERP COc1ccc(O)c(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000903955461 626166746 /nfs/dbraw/zinc/16/67/46/626166746.db2.gz SCURXSBEZSSKDI-NSHDSACASA-N 2 0 286.322 1.735 10 10 CDCERP Cc1ccc(O)c([C@H](C)[NH2+]CC2([NH3+])CCOCC2)c1 ZINC000863540658 811929359 /nfs/dbraw/zinc/92/93/59/811929359.db2.gz HEQMXCJATULTTO-LBPRGKRZSA-N 2 0 264.369 1.859 10 10 CDCERP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C12CCC2 ZINC000925560712 816871999 /nfs/dbraw/zinc/87/19/99/816871999.db2.gz XGFIPNMWFDNRCR-HUUCEWRRSA-N 2 0 258.365 1.981 10 10 CDCERP Cc1ccc(O)c([C@@H](C)[NH2+]CC2([NH3+])CCOCC2)c1 ZINC000863540657 817331415 /nfs/dbraw/zinc/33/14/15/817331415.db2.gz HEQMXCJATULTTO-GFCCVEGCSA-N 2 0 264.369 1.859 10 10 CDCERP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2ccc(O)cc2O)C1 ZINC000071141890 176040008 /nfs/dbraw/zinc/04/00/08/176040008.db2.gz GRQAPTLKCOKRSR-WDEREUQCSA-N 2 0 250.342 1.700 10 10 CDCERP CN(C)c1ccc([C@@H]([NH3+])CNCC2(C[NH3+])CC2)cc1 ZINC000841040853 618677032 /nfs/dbraw/zinc/67/70/32/618677032.db2.gz APOGWOGVHHWPBP-AWEZNQCLSA-N 2 0 262.401 1.081 10 10 CDCERP C[C@H](O)[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000808424687 818393003 /nfs/dbraw/zinc/39/30/03/818393003.db2.gz RLMUMYYBLOYZSW-KBPBESRZSA-N 2 0 277.412 1.297 10 10 CDCERP CN(C)c1ccc(/C=C/C[NH2+]CCOCCC[NH3+])cc1 ZINC000863649578 818905319 /nfs/dbraw/zinc/90/53/19/818905319.db2.gz FWUJNTMFAMFXIR-HWKANZROSA-N 2 0 277.412 1.721 10 10 CDCERP Cc1cc(O)c(C[NH2+]CC2([NH3+])CCOCC2)cc1C ZINC000863482076 819857379 /nfs/dbraw/zinc/85/73/79/819857379.db2.gz RMIXQEDJZZJKRA-UHFFFAOYSA-N 2 0 264.369 1.607 10 10 CDCERP COc1ccc(N2CC[C@@H]([NH2+]C[C@@]3(C)CC[NH2+]C3)C2)cc1 ZINC000849350737 821355340 /nfs/dbraw/zinc/35/53/40/821355340.db2.gz UQDHEPAFLZRXDR-PBHICJAKSA-N 2 0 289.423 1.863 10 10 CDCERP COc1ccc(N2CC[C@H]([NH2+]CC(C)(C)[NH3+])C2)cc1 ZINC000849350715 969940887 /nfs/dbraw/zinc/94/08/87/969940887.db2.gz SMVYRWXVPQFIBC-LBPRGKRZSA-N 2 0 263.385 1.601 10 10 CDCERP C[NH2+]CCOCC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000863544086 827256471 /nfs/dbraw/zinc/25/64/71/827256471.db2.gz KOUBOLNHPQISNK-LLVKDONJSA-N 2 0 268.357 1.287 10 10 CDCERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C1=CC(=O)CS1 ZINC000855346449 827410396 /nfs/dbraw/zinc/41/03/96/827410396.db2.gz CLJTWCOVYQXAJL-NSHDSACASA-N 2 0 299.440 1.456 10 10 CDCERP CC(C)C[C@H]([NH3+])CNC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841043358 621572986 /nfs/dbraw/zinc/57/29/86/621572986.db2.gz RLVPFHIILZIRKA-GOEBONIOSA-N 2 0 278.444 1.715 10 10 CDCERP COc1ccc(N2CCC([NH2+][C@H](C)[C@H](C)[NH3+])CC2)cc1 ZINC000841076576 625970050 /nfs/dbraw/zinc/97/00/50/625970050.db2.gz JGWIUFIAUOWBCT-QWHCGFSZSA-N 2 0 277.412 1.989 10 10 CDCERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccccc1O)C2 ZINC000903979200 626170498 /nfs/dbraw/zinc/17/04/98/626170498.db2.gz YHZSKCFVQBJVLI-ZENOOKHLSA-N 2 0 290.363 1.105 10 10 CDCERP Oc1cc2c(cc1CN1CC[C@]3(C1)CCC[NH2+]C3)OCO2 ZINC000843118041 835606820 /nfs/dbraw/zinc/60/68/20/835606820.db2.gz ZLINCEYKXUBJJW-MRXNPFEDSA-N 2 0 290.363 1.696 10 10 CDCERP COc1ccc(N2CCN(C(C)(C)C[NH3+])CC2)cc1 ZINC000038960057 358176800 /nfs/dbraw/zinc/17/68/00/358176800.db2.gz KSDGFWRHXNDQNK-UHFFFAOYSA-N 2 0 263.385 1.555 10 10 CDCERP COc1cc(O)c(C[NH2+]CC2([NH3+])CCOCC2)cc1OC ZINC000863481164 835830734 /nfs/dbraw/zinc/83/07/34/835830734.db2.gz AQSPILWOHBWXIV-UHFFFAOYSA-N 2 0 296.367 1.007 10 10 CDCERP C[NH2+]CCOCC[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000863646082 836419238 /nfs/dbraw/zinc/41/92/38/836419238.db2.gz ATBUBHJWIBBZCT-UHFFFAOYSA-N 2 0 266.385 1.677 10 10 CDCERP CN(C)c1ccc(C[NH2+]CCOCCC[NH3+])cc1 ZINC000863485126 839530458 /nfs/dbraw/zinc/53/04/58/839530458.db2.gz VAINIGUDASXUOD-UHFFFAOYSA-N 2 0 251.374 1.208 10 10 CDCERP COc1cccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1O ZINC000903965123 626171802 /nfs/dbraw/zinc/17/18/02/626171802.db2.gz WGKXHJGGVLKRSH-PWSUYJOCSA-N 2 0 250.342 1.346 10 10 CDCERP COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC[NH3+])c1 ZINC000817938696 847353051 /nfs/dbraw/zinc/35/30/51/847353051.db2.gz QGHKHWFQBSCZSE-VIFPVBQESA-N 2 0 252.314 1.178 10 10 CDCERP C[C@@H]([NH3+])c1ccc(N2CCC[N@H+](C)CC2)c(F)c1 ZINC000020217770 171080882 /nfs/dbraw/zinc/08/08/82/171080882.db2.gz PXMLEKNNBHXVKV-LLVKDONJSA-N 2 0 251.349 1.987 10 10 CDCERP CCN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CC[NH2+]C1 ZINC000923427460 618335145 /nfs/dbraw/zinc/33/51/45/618335145.db2.gz ZBFRKNIWCSXFGB-KRWDZBQOSA-N 2 0 289.423 1.707 10 10 CDCERP CCOc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)c(O)c1 ZINC000841064043 618679223 /nfs/dbraw/zinc/67/92/23/618679223.db2.gz OIZFAMBNNXHATR-RISCZKNCSA-N 2 0 264.369 1.879 10 10 CDCERP C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1CC[NH3+] ZINC000903977186 626170012 /nfs/dbraw/zinc/17/00/12/626170012.db2.gz LBSBHYLKYMQHFX-GHMZBOCLSA-N 2 0 278.352 1.538 10 10 CDCERP COc1cc(Br)cc([C@@H]([NH3+])CCC[NH3+])c1O ZINC000575439135 391382057 /nfs/dbraw/zinc/38/20/57/391382057.db2.gz PIBQHHVKJDMIOA-VIFPVBQESA-N 2 0 289.173 1.902 10 10 CDCERP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000846698594 710099718 /nfs/dbraw/zinc/09/97/18/710099718.db2.gz JMPKSRNVYWVVQU-ZBFHGGJFSA-N 2 0 289.423 1.835 10 10 CDCERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cc(F)ccc1O ZINC000826902046 710428667 /nfs/dbraw/zinc/42/86/67/710428667.db2.gz HIBIIRUJEZUCKA-ZDUSSCGKSA-N 2 0 297.418 1.893 10 10 CDCERP CC[C@@H]([NH2+]CCOCCC[NH3+])c1ccccc1O ZINC000863547577 710433265 /nfs/dbraw/zinc/43/32/65/710433265.db2.gz PYXFOFRJPMKZMG-CYBMUJFWSA-N 2 0 252.358 1.798 10 10 CDCERP Oc1ccccc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000841088273 711667011 /nfs/dbraw/zinc/66/70/11/711667011.db2.gz ZPOQYMFPKFZLGX-UHFFFAOYSA-N 2 0 289.423 1.698 10 10 CDCERP Cc1cc(Br)cc([C@H]([NH3+])CC[NH3+])c1O ZINC000306835761 362869838 /nfs/dbraw/zinc/86/98/38/362869838.db2.gz RVMVZIHGCBDWSG-SECBINFHSA-N 2 0 259.147 1.812 10 10 CDCERP CCO[C@@H]1C[N@H+](Cc2c(O)cccc2OC)C[C@H]1C[NH3+] ZINC000844905139 931722017 /nfs/dbraw/zinc/72/20/17/931722017.db2.gz IAYOBLJYEDOVPX-IAQYHMDHSA-N 2 0 280.368 1.196 10 10 CDCERP COc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000723919341 896269436 /nfs/dbraw/zinc/26/94/36/896269436.db2.gz LBCZIEXXPSWEFX-VXGBXAGGSA-N 2 0 264.369 1.818 10 10 CDCERP COc1ccc(N2CC[C@H]([NH2+][C@H](C)C3C[NH2+]C3)C2)cc1 ZINC000854216710 928170502 /nfs/dbraw/zinc/17/05/02/928170502.db2.gz CZTWHWQGYSRJGO-OCCSQVGLSA-N 2 0 275.396 1.471 10 10 CDCERP CN(C)c1ccc([C@@H]([NH3+])CN[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925689155 617683424 /nfs/dbraw/zinc/68/34/24/617683424.db2.gz HAZOJFPPRGZQOP-HOTGVXAUSA-N 2 0 288.439 1.627 10 10 CDCERP Cc1ccc(O)c([C@@H](C)[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000038031125 174025139 /nfs/dbraw/zinc/02/51/39/174025139.db2.gz POZBIAGFQAKNFD-CYBMUJFWSA-N 2 0 291.395 1.125 10 10 CDCERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000863543886 678775383 /nfs/dbraw/zinc/77/53/83/678775383.db2.gz FQGXKWYOKPIBAI-GFCCVEGCSA-N 2 0 252.358 1.587 10 10 CDCERP [NH3+]C1CCC([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000051694588 677707544 /nfs/dbraw/zinc/70/75/44/677707544.db2.gz YGXAXWDLJRSFEW-UHFFFAOYSA-N 2 0 264.325 1.480 10 10 CDCERP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000841076630 679534733 /nfs/dbraw/zinc/53/47/33/679534733.db2.gz KMEIDRALFFORJD-HTQZYQBOSA-N 2 0 273.174 1.980 10 10 CDCERP Oc1cc2c(cc1C[NH2+]CC[C@H]1CCC[NH2+]1)OCO2 ZINC000841056887 621605863 /nfs/dbraw/zinc/60/58/63/621605863.db2.gz XLQHNEUAEPGAHM-LLVKDONJSA-N 2 0 264.325 1.353 10 10 CDCERP COc1ccc(N2CC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C2)cc1 ZINC000854217299 681778409 /nfs/dbraw/zinc/77/84/09/681778409.db2.gz MHXNVICKRRQRGJ-IHRRRGAJSA-N 2 0 277.412 1.989 10 10 CDCERP Cc1cc(N(C)C)ccc1C[NH2+]CCOCCC[NH3+] ZINC000863649745 683091947 /nfs/dbraw/zinc/09/19/47/683091947.db2.gz HNPZYJXYHCULTG-UHFFFAOYSA-N 2 0 265.401 1.516 10 10 CDCERP Cc1ccc(O)c(C[NH2+]CC2([NH3+])CCOCC2)c1 ZINC000863482089 620861921 /nfs/dbraw/zinc/86/19/21/620861921.db2.gz SEOHYOHKNACJMG-UHFFFAOYSA-N 2 0 250.342 1.298 10 10 CDCERP COc1cc(O)c(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000841063731 621623171 /nfs/dbraw/zinc/62/31/71/621623171.db2.gz NGDAYCZFIDRPGH-CMPLNLGQSA-N 2 0 280.368 1.497 10 10 CDCERP COc1cccc(O)c1CNC[C@@H]1C[NH2+]CCC1(F)F ZINC000903955220 626166660 /nfs/dbraw/zinc/16/66/60/626166660.db2.gz NGGJFEYEHVUVHX-JTQLQIEISA-N 2 0 286.322 1.735 10 10 CDCERP Oc1ccc(F)cc1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955208 626166677 /nfs/dbraw/zinc/16/66/77/626166677.db2.gz MTUBSJJQZYSBJR-JTQLQIEISA-N 2 0 274.286 1.866 10 10 CDCERP CCOc1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)c1O ZINC000405594345 940991759 /nfs/dbraw/zinc/99/17/59/940991759.db2.gz NNILFQZWUOYXMM-UKRRQHHQSA-N 2 0 294.395 1.587 10 10 CDCERP COc1ccc(O)c(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)c1 ZINC000156018822 361702145 /nfs/dbraw/zinc/70/21/45/361702145.db2.gz JBHQBNLFRQDRBI-GFCCVEGCSA-N 2 0 264.369 1.784 10 10 CDCERP CC(C)C[C@@H]([NH3+])CNC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841043320 621572270 /nfs/dbraw/zinc/57/22/70/621572270.db2.gz RLVPFHIILZIRKA-GDBMZVCRSA-N 2 0 278.444 1.715 10 10 CDCERP Oc1ccc(F)cc1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903955209 626166436 /nfs/dbraw/zinc/16/64/36/626166436.db2.gz MTUBSJJQZYSBJR-SNVBAGLBSA-N 2 0 274.286 1.866 10 10 CDCERP C[C@H]([NH2+]CCOCCC[NH3+])c1cc(F)ccc1O ZINC000863546325 688891934 /nfs/dbraw/zinc/89/19/34/688891934.db2.gz LIZLUMQKEYPELB-JTQLQIEISA-N 2 0 256.321 1.547 10 10 CDCERP Cc1cc(O)c(C[NH+]2CCC(O)(C[NH3+])CC2)c(Cl)c1 ZINC000841106544 692507079 /nfs/dbraw/zinc/50/70/79/692507079.db2.gz BXBQXOOCAMGQBT-UHFFFAOYSA-N 2 0 284.787 1.640 10 10 CDCERP Cc1cc(O)c(C[NH2+]CC2(O)CC[NH+](C)CC2)c(Cl)c1 ZINC000840901216 695089562 /nfs/dbraw/zinc/08/95/62/695089562.db2.gz ZGQKJKOHAVGTIP-UHFFFAOYSA-N 2 0 298.814 1.900 10 10 CDCERP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(N(C)C)cc1 ZINC000863542218 695341065 /nfs/dbraw/zinc/34/10/65/695341065.db2.gz UGYDMFBOIDVWHW-CYBMUJFWSA-N 2 0 277.412 1.911 10 10 CDCERP C[C@@H]1C[NH2+]C[C@@H](NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000843126193 724052097 /nfs/dbraw/zinc/05/20/97/724052097.db2.gz OAKMBDMIFAAGSW-DUVNUKRYSA-N 2 0 276.428 1.340 10 10 CDCERP CCO[C@@H]1C[N@H+](Cc2cc(OC)ccc2O)C[C@H]1C[NH3+] ZINC000405455450 940989347 /nfs/dbraw/zinc/98/93/47/940989347.db2.gz PLENSDYHHLUXHG-IUODEOHRSA-N 2 0 280.368 1.196 10 10 CDCERP COc1cccc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)c1O ZINC000156019426 361702230 /nfs/dbraw/zinc/70/22/30/361702230.db2.gz KOWPVKKPGIKKRT-LBPRGKRZSA-N 2 0 264.369 1.784 10 10 CDCERP Oc1ccccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530249850 368152855 /nfs/dbraw/zinc/15/28/55/368152855.db2.gz ZEXHKJZPZSUEHO-INIZCTEOSA-N 2 0 290.407 1.983 10 10 CDCERP C[C@H](O)C(C)(C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771864972 575630008 /nfs/dbraw/zinc/63/00/08/575630008.db2.gz NFIJVTISEZDQSH-AWEZNQCLSA-N 2 0 291.439 1.687 10 10 CDCERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc(F)ccc1O ZINC000925811759 617754692 /nfs/dbraw/zinc/75/46/92/617754692.db2.gz KUDOQIAVLZDMPC-LLVKDONJSA-N 2 0 281.375 1.605 10 10 CDCERP COc1cc(O)c(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000841090008 628677015 /nfs/dbraw/zinc/67/70/15/628677015.db2.gz CZRLVRTUAKPYHA-BDJLRTHQSA-N 2 0 294.395 1.826 10 10 CDCERP CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)c1 ZINC000844906602 726856129 /nfs/dbraw/zinc/85/61/29/726856129.db2.gz VARMDEFVNIOPOI-CZUORRHYSA-N 2 0 294.395 1.587 10 10 CDCERP [NH3+]CC1(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000844902605 726862132 /nfs/dbraw/zinc/86/21/32/726862132.db2.gz SWXOQCALHDZSHW-UHFFFAOYSA-N 2 0 289.423 1.742 10 10 CDCERP COc1cc(O)c(CN[C@H]2C[NH2+]CC[C@@H]2C)cc1OC ZINC000841059980 727113179 /nfs/dbraw/zinc/11/31/79/727113179.db2.gz ZFSKDMBNFXAAIK-JQWIXIFHSA-N 2 0 280.368 1.497 10 10 CDCERP CN(C)c1ccc([C@H]([NH3+])CNC[C@@]2(C)CC[NH2+]C2)cc1 ZINC000843126334 728227022 /nfs/dbraw/zinc/22/70/22/728227022.db2.gz OCLWWMYELKGHRA-CVEARBPZSA-N 2 0 276.428 1.342 10 10 CDCERP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817941859 930638646 /nfs/dbraw/zinc/63/86/46/930638646.db2.gz LHGRZEIROGRUSC-GOEBONIOSA-N 2 0 294.443 1.096 10 10 CDCERP C[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@@H]1CC[NH+](C)C1 ZINC000156020531 361702244 /nfs/dbraw/zinc/70/22/44/361702244.db2.gz ZTEAVQFRMNORGB-LLVKDONJSA-N 2 0 278.352 1.504 10 10 CDCERP C[NH+](C)[C@@H]1CCN(c2ccc(C[NH3+])c(Cl)c2)C1 ZINC000062963699 522056752 /nfs/dbraw/zinc/05/67/52/522056752.db2.gz HHARMYVJYVPPFM-GFCCVEGCSA-N 2 0 253.777 1.939 10 10 CDCERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000923401444 729055652 /nfs/dbraw/zinc/05/56/52/729055652.db2.gz MTKUPJPGCQPYML-UHFFFAOYSA-N 2 0 279.428 1.729 10 10 CDCERP COc1ccc(N2CC[C@@H]([NH2+]CC(C)(C)[NH3+])C2)cc1 ZINC000849350714 729075376 /nfs/dbraw/zinc/07/53/76/729075376.db2.gz SMVYRWXVPQFIBC-GFCCVEGCSA-N 2 0 263.385 1.601 10 10 CDCERP COc1cccc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1O ZINC000703537985 729315941 /nfs/dbraw/zinc/31/59/41/729315941.db2.gz FDKMKKZAWSSLCR-SWLSCSKDSA-N 2 0 262.353 1.442 10 10 CDCERP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)c2ccc(O)cc2O)C1 ZINC000071141892 176040156 /nfs/dbraw/zinc/04/01/56/176040156.db2.gz GRQAPTLKCOKRSR-GHMZBOCLSA-N 2 0 250.342 1.700 10 10 CDCERP CN(C)c1ccc(/C=C\C[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000841045248 621588026 /nfs/dbraw/zinc/58/80/26/621588026.db2.gz QNWWARXULNSGGN-ARJAWSKDSA-N 2 0 288.439 1.261 10 10 CDCERP COc1cccc(O)c1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000841063591 731535098 /nfs/dbraw/zinc/53/50/98/731535098.db2.gz LFFPPTDYEJJCLA-JQWIXIFHSA-N 2 0 250.342 1.488 10 10 CDCERP [NH3+][C@H]1Cc2ccccc2N(C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852892756 927910717 /nfs/dbraw/zinc/91/07/17/927910717.db2.gz ODKRTKQAXQMOGF-AWEZNQCLSA-N 2 0 271.364 1.213 10 10 CDCERP C[C@@H](O)C(C)(C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771864975 575630174 /nfs/dbraw/zinc/63/01/74/575630174.db2.gz NFIJVTISEZDQSH-CQSZACIVSA-N 2 0 291.439 1.687 10 10 CDCERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000903964307 626171547 /nfs/dbraw/zinc/17/15/47/626171547.db2.gz IVBABUMCBGVORK-ZBFHGGJFSA-N 2 0 289.423 1.468 10 10 CDCERP COc1ccc(N2CC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C2)cc1 ZINC000854217301 734959922 /nfs/dbraw/zinc/95/99/22/734959922.db2.gz MHXNVICKRRQRGJ-MJBXVCDLSA-N 2 0 277.412 1.989 10 10 CDCERP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000923421208 735974600 /nfs/dbraw/zinc/97/46/00/735974600.db2.gz MELIFCCTZHJNJP-HZPDHXFCSA-N 2 0 289.423 1.739 10 10 CDCERP COc1ccc(N2CC[C@@H]([NH2+]C[C@H]([NH3+])CC(F)F)C2)cc1 ZINC000903932562 626152324 /nfs/dbraw/zinc/15/23/24/626152324.db2.gz DRRYRMWDYUVLJT-VXGBXAGGSA-N 2 0 299.365 1.846 10 10 CDCERP [NH3+][C@@H]1Cc2ccccc2N(C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852892757 739078445 /nfs/dbraw/zinc/07/84/45/739078445.db2.gz ODKRTKQAXQMOGF-CQSZACIVSA-N 2 0 271.364 1.213 10 10 CDCERP COc1ccc(N2CC[C@H]([NH2+][C@H]3CCC[C@@H]3C[NH3+])C2)cc1 ZINC000854216561 740234976 /nfs/dbraw/zinc/23/49/76/740234976.db2.gz AHSGPDMABRHQEA-KEYYUXOJSA-N 2 0 289.423 1.991 10 10 CDCERP [NH3+]CCCOCC[NH2+]Cc1c(O)cccc1Cl ZINC000863483498 741822029 /nfs/dbraw/zinc/82/20/29/741822029.db2.gz BUMGROVUHAKRJO-UHFFFAOYSA-N 2 0 258.749 1.501 10 10 CDCERP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccccc1O ZINC000863542751 745266767 /nfs/dbraw/zinc/26/67/67/745266767.db2.gz YPZILFCUESOYCI-NSHDSACASA-N 2 0 250.342 1.551 10 10 CDCERP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817942180 746069900 /nfs/dbraw/zinc/06/99/00/746069900.db2.gz MRGOPGXMDLRGSB-UHOFOFEASA-N 2 0 276.428 1.292 10 10 CDCERP C[NH+]1CCC2(CC1)C[N@H+](Cc1cc(F)ccc1O)CCO2 ZINC000843431306 746104754 /nfs/dbraw/zinc/10/47/54/746104754.db2.gz AIZGRMVXPMHDNG-UHFFFAOYSA-N 2 0 294.370 1.828 10 10 CDCERP Cc1cc(CN2CC[NH2+]CC[NH2+]CC2)ccc1N(C)C ZINC000923461345 749134956 /nfs/dbraw/zinc/13/49/56/749134956.db2.gz VYYYSAGIOVDFLM-UHFFFAOYSA-N 2 0 276.428 1.056 10 10 CDCERP COc1ccc(N2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000091545230 752010740 /nfs/dbraw/zinc/01/07/40/752010740.db2.gz XPCKJESXEDTJND-CABCVRRESA-N 2 0 289.423 1.945 10 10 CDCERP CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1cc(C(=O)OC)ccc1O ZINC000863543444 750818544 /nfs/dbraw/zinc/81/85/44/750818544.db2.gz OYDWRBKQQAPMOQ-DDTOSNHZSA-N 2 0 292.379 1.970 10 10 CDCERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001261836676 946293939 /nfs/dbraw/zinc/29/39/39/946293939.db2.gz IQUIOAROKUXGEA-UHFFFAOYSA-N 2 0 291.439 1.955 10 10 CDCERP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000226585260 262379395 /nfs/dbraw/zinc/37/93/95/262379395.db2.gz DXSRNAYUOKRLON-NSHDSACASA-N 2 0 252.333 1.963 10 10 CDCERP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3O)C2)CC1 ZINC000179570837 329209771 /nfs/dbraw/zinc/20/97/71/329209771.db2.gz KRKJZZOXNINQCL-INIZCTEOSA-N 2 0 289.423 1.604 10 10 CDCERP COc1cc(O)c(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000841063733 621622784 /nfs/dbraw/zinc/62/27/84/621622784.db2.gz NGDAYCZFIDRPGH-JQWIXIFHSA-N 2 0 280.368 1.497 10 10 CDCERP C[NH2+]CCOCC[N@H+](C)Cc1cccc(OC)c1O ZINC000706944499 756504977 /nfs/dbraw/zinc/50/49/77/756504977.db2.gz NODGSLAUHSWJOF-UHFFFAOYSA-N 2 0 268.357 1.069 10 10 CDCERP CCOc1ccc(C[NH2+]CCOCCC[NH3+])c(O)c1 ZINC000863484754 772615581 /nfs/dbraw/zinc/61/55/81/772615581.db2.gz LOHMRDCKURBXKM-UHFFFAOYSA-N 2 0 268.357 1.246 10 10 CDCERP C[NH+](C)Cc1ccc(O)c(C[NH+](C)C)c1C[NH+](C)C ZINC000033506049 356804429 /nfs/dbraw/zinc/80/44/29/356804429.db2.gz CIPOCPJRYUFXLL-UHFFFAOYSA-N 3 0 265.401 1.577 10 10 CDCERP C[N@H+](CCOc1ccc(N)cc1)C[C@H]1CC[NH+](C)C1 ZINC000071187772 176062305 /nfs/dbraw/zinc/06/23/05/176062305.db2.gz ZSEZQRDQJCIALS-ZDUSSCGKSA-N 2 0 263.385 1.531 10 10 CDCERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)CCO2 ZINC000817902346 774935669 /nfs/dbraw/zinc/93/56/69/774935669.db2.gz OQDKPEHXQJHYST-AWEZNQCLSA-N 2 0 264.369 1.465 10 10 CDCERP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCN3C)C1 ZINC000071142531 176040144 /nfs/dbraw/zinc/04/01/44/176040144.db2.gz HIXXQJRAKPLIHO-CQSZACIVSA-N 2 0 259.397 1.720 10 10 CDCERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000863544521 782847700 /nfs/dbraw/zinc/84/77/00/782847700.db2.gz WMNGQQZHAGOLGE-CYBMUJFWSA-N 2 0 266.385 1.896 10 10 CDCERP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000226585265 359702655 /nfs/dbraw/zinc/70/26/55/359702655.db2.gz DXSRNAYUOKRLON-LLVKDONJSA-N 2 0 252.333 1.963 10 10 CDCERP Oc1ccc(C[NH2+]CCC[NH+]2CCCC2)c(O)c1 ZINC000020128982 171016291 /nfs/dbraw/zinc/01/62/91/171016291.db2.gz MGKNUJSGNAOLOU-UHFFFAOYSA-N 2 0 250.342 1.673 10 10 CDCERP CCC[NH+]1CCN([C@@H](C[NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000020179680 171044573 /nfs/dbraw/zinc/04/45/73/171044573.db2.gz ZHRHRHKONOYDEY-KRWDZBQOSA-N 2 0 290.455 1.780 10 10 CDCERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000903975120 626169492 /nfs/dbraw/zinc/16/94/92/626169492.db2.gz XOMDHLYHPXKEAE-GHMZBOCLSA-N 2 0 278.352 1.456 10 10 CDCERP COc1cccc(O)c1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000841063592 936974232 /nfs/dbraw/zinc/97/42/32/936974232.db2.gz LFFPPTDYEJJCLA-PWSUYJOCSA-N 2 0 250.342 1.488 10 10 CDCERP CCO[C@@H]1C[N@H+](Cc2cc(C)c(C)cc2O)C[C@H]1C[NH3+] ZINC000844906325 931721794 /nfs/dbraw/zinc/72/17/94/931721794.db2.gz RSLBMJVQKLECPD-GDBMZVCRSA-N 2 0 278.396 1.805 10 10 CDCERP COc1cc(O)c(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1OC ZINC000841063735 621623068 /nfs/dbraw/zinc/62/30/68/621623068.db2.gz NGDAYCZFIDRPGH-PWSUYJOCSA-N 2 0 280.368 1.497 10 10 CDCERP C[C@H](NCC12CC(C1)C[NH2+]2)c1cc(F)ccc1O ZINC000854227353 786810268 /nfs/dbraw/zinc/81/02/68/786810268.db2.gz MQTCKBPDVWXJEO-IPWFMCSPSA-N 2 0 250.317 1.934 10 10 CDCERP COc1cccc(C[NH2+]CCC2(C[NH3+])CC2)c1O ZINC000844901081 787181755 /nfs/dbraw/zinc/18/17/55/787181755.db2.gz DWBUITXINUFUIV-UHFFFAOYSA-N 2 0 250.342 1.619 10 10 CDCERP COc1ccc(O)c(C[N@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000231456605 787884354 /nfs/dbraw/zinc/88/43/54/787884354.db2.gz JIDXQZWTDNANBJ-ZDUSSCGKSA-N 2 0 264.369 1.975 10 10 CDCERP COc1cccc(O)c1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848562906 790307329 /nfs/dbraw/zinc/30/73/29/790307329.db2.gz MCDFSZWHOCQWPT-TXEJJXNPSA-N 2 0 264.369 1.831 10 10 CDCERP C[C@H]([NH2+]CCC[NH3+])c1ccc(N2CCOCC2)c(F)c1 ZINC000817938464 792300521 /nfs/dbraw/zinc/30/05/21/792300521.db2.gz LAXFJNSXYWKHON-LBPRGKRZSA-N 2 0 281.375 1.662 10 10 CDCERP COc1ccc(N2CC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C2)cc1 ZINC000854217300 794358402 /nfs/dbraw/zinc/35/84/02/794358402.db2.gz MHXNVICKRRQRGJ-MCIONIFRSA-N 2 0 277.412 1.989 10 10 CDCERP COc1ccc(O)c([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)c1 ZINC000925810180 617752123 /nfs/dbraw/zinc/75/21/23/617752123.db2.gz CNTQQEANPABTCC-LBPRGKRZSA-N 2 0 293.411 1.475 10 10 CDCERP CCN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000923427461 618334265 /nfs/dbraw/zinc/33/42/65/618334265.db2.gz ZBFRKNIWCSXFGB-QGZVFWFLSA-N 2 0 289.423 1.707 10 10 CDCERP C[NH2+]CCOCC[N@H+](C)Cc1cc(F)ccc1O ZINC000706629313 923077081 /nfs/dbraw/zinc/07/70/81/923077081.db2.gz RAUMRZMMWXCNAB-UHFFFAOYSA-N 2 0 256.321 1.199 10 10 CDCERP Nc1ccc(CC[NH2+]Cc2nc3c(s2)C[NH2+]CC3)cc1 ZINC000853246813 927990571 /nfs/dbraw/zinc/99/05/71/927990571.db2.gz TWLWYANHIFZSHS-UHFFFAOYSA-N 2 0 288.420 1.703 10 10 CDCERP COc1cc(O)c(C[NH2+]C[C@@H]2CCCN2C)cc1OC ZINC000862536576 929424198 /nfs/dbraw/zinc/42/41/98/929424198.db2.gz PKEFTOOLGMNQJG-LBPRGKRZSA-N 2 0 280.368 1.593 10 10 CDCERP CCO[C@@H]1C[N@H+](Cc2cc(C)ccc2O)C[C@H]1C[NH3+] ZINC000405506037 940989662 /nfs/dbraw/zinc/98/96/62/940989662.db2.gz DIQAOQFJQYYEGC-UKRRQHHQSA-N 2 0 264.369 1.496 10 10 CDCERP Cc1cc(Cl)cc(C[NH2+]CC2(O)CC[NH+](C)CC2)c1O ZINC000271819359 364999045 /nfs/dbraw/zinc/99/90/45/364999045.db2.gz MOJKOXQLMBZDHW-UHFFFAOYSA-N 2 0 298.814 1.900 10 10 CDCERP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3O)C2)CC1 ZINC000179570829 329209707 /nfs/dbraw/zinc/20/97/07/329209707.db2.gz KRKJZZOXNINQCL-MRXNPFEDSA-N 2 0 289.423 1.604 10 10 CDCERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000925816391 617772162 /nfs/dbraw/zinc/77/21/62/617772162.db2.gz GFUSFLSDXRSBFZ-CQSZACIVSA-N 2 0 275.396 1.392 10 10 CDCERP CCOc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)c1O ZINC000841063437 621620826 /nfs/dbraw/zinc/62/08/26/621620826.db2.gz JORCNHAHRHJRMG-YPMHNXCESA-N 2 0 264.369 1.879 10 10 CDCERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(N(C)C)cc1C ZINC000817892994 811836224 /nfs/dbraw/zinc/83/62/24/811836224.db2.gz AZJURWARSBHOHA-OAHLLOKOSA-N 2 0 279.428 1.905 10 10 CDCERP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(N(C)C)cc1 ZINC000863547651 813310925 /nfs/dbraw/zinc/31/09/25/813310925.db2.gz RGXBZQVBYVDIDB-ZDUSSCGKSA-N 2 0 265.401 1.769 10 10 CDCERP COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3C[NH3+])C2)cc1 ZINC000854216559 813336532 /nfs/dbraw/zinc/33/65/32/813336532.db2.gz AHSGPDMABRHQEA-JKIFEVAISA-N 2 0 289.423 1.991 10 10 CDCERP COc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1O ZINC000708834655 816892866 /nfs/dbraw/zinc/89/28/66/816892866.db2.gz GTAODPUFOXUVQT-PWSUYJOCSA-N 2 0 250.342 1.427 10 10 CDCERP C[N@@H+]1CCCN(c2c(F)cc(C[NH3+])cc2F)CC1 ZINC000062709802 523812085 /nfs/dbraw/zinc/81/20/85/523812085.db2.gz ODYYHQAFBZIYBF-UHFFFAOYSA-N 2 0 255.312 1.565 10 10 CDCERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000817901225 818602017 /nfs/dbraw/zinc/60/20/17/818602017.db2.gz UHQJEINCHWMGLV-CYBMUJFWSA-N 2 0 283.391 1.735 10 10 CDCERP CCOc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1O ZINC000380782414 819034547 /nfs/dbraw/zinc/03/45/47/819034547.db2.gz UTKOWKICLSKQPA-IACUBPJLSA-N 2 0 276.380 1.960 10 10 CDCERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000817901226 819103186 /nfs/dbraw/zinc/10/31/86/819103186.db2.gz UHQJEINCHWMGLV-ZDUSSCGKSA-N 2 0 283.391 1.735 10 10 CDCERP CC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccccc1O ZINC000925811707 819650584 /nfs/dbraw/zinc/65/05/84/819650584.db2.gz KDVPDCHVBKXHPJ-OAHLLOKOSA-N 2 0 277.412 1.856 10 10 CDCERP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C12CCC2 ZINC000925560709 822276885 /nfs/dbraw/zinc/27/68/85/822276885.db2.gz XGFIPNMWFDNRCR-CABCVRRESA-N 2 0 258.365 1.981 10 10 CDCERP CN(C)c1ccc(/C=C/C[N@H+](C)CCOCC[NH3+])cc1 ZINC000863652192 929585293 /nfs/dbraw/zinc/58/52/93/929585293.db2.gz PILMJDWBVXFOBU-SNAWJCMRSA-N 2 0 277.412 1.673 10 10 CDCERP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2O)C[C@H]1C(F)(F)F ZINC000720855374 935257793 /nfs/dbraw/zinc/25/77/93/935257793.db2.gz CWKYJQZIFRYXET-WDEREUQCSA-N 2 0 274.286 1.961 10 10 CDCERP CN(C)c1ccc(/C=C\C[NH+]2CCC(O)(C[NH3+])CC2)cc1 ZINC000841108145 618644299 /nfs/dbraw/zinc/64/42/99/618644299.db2.gz OSQKZBMIODQFOR-ARJAWSKDSA-N 2 0 289.423 1.551 10 10 CDCERP CCOc1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1O ZINC000380782419 825206780 /nfs/dbraw/zinc/20/67/80/825206780.db2.gz UTKOWKICLSKQPA-YUTCNCBUSA-N 2 0 276.380 1.960 10 10 CDCERP COc1ccc(O)c(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000708834491 825615980 /nfs/dbraw/zinc/61/59/80/825615980.db2.gz DPGTZBUGPWZZBP-JQWIXIFHSA-N 2 0 250.342 1.427 10 10 CDCERP CCOc1ccc(O)c(CNCC23CC(C2)C[NH2+]3)c1 ZINC000853246885 826897849 /nfs/dbraw/zinc/89/78/49/826897849.db2.gz VVGUSSCHJOABNN-UHFFFAOYSA-N 2 0 262.353 1.633 10 10 CDCERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2O)CC1 ZINC000179571975 391212050 /nfs/dbraw/zinc/21/20/50/391212050.db2.gz IDAXWVHLLPMQJX-CQSZACIVSA-N 2 0 292.423 1.917 10 10 CDCERP CN(C)c1ccc([C@H]([NH3+])CN[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925689153 617683979 /nfs/dbraw/zinc/68/39/79/617683979.db2.gz HAZOJFPPRGZQOP-CVEARBPZSA-N 2 0 288.439 1.627 10 10 CDCERP CCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c(O)c1 ZINC000903964817 626171493 /nfs/dbraw/zinc/17/14/93/626171493.db2.gz RSKNCWBNPNDFBJ-YPMHNXCESA-N 2 0 264.369 1.736 10 10 CDCERP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000872251757 829338687 /nfs/dbraw/zinc/33/86/87/829338687.db2.gz MKKIBJSCFWNQCC-GFCCVEGCSA-N 2 0 292.379 1.989 10 10 CDCERP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000925782668 829979575 /nfs/dbraw/zinc/97/95/75/829979575.db2.gz AEAVZBUWSIOSMD-UTUOFQBUSA-N 2 0 264.369 1.907 10 10 CDCERP Cc1ccc(O)c([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)c1 ZINC000925813244 830217683 /nfs/dbraw/zinc/21/76/83/830217683.db2.gz UCUUUPXLRWOZOK-CYBMUJFWSA-N 2 0 277.412 1.774 10 10 CDCERP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843051795 830319678 /nfs/dbraw/zinc/31/96/78/830319678.db2.gz FGQWFRAWHIHFNB-INIZCTEOSA-N 2 0 289.423 1.565 10 10 CDCERP COc1ccc(N2CC[C@H]([NH2+][C@H]3CCC[C@H]3C[NH3+])C2)cc1 ZINC000854216563 833803222 /nfs/dbraw/zinc/80/32/22/833803222.db2.gz AHSGPDMABRHQEA-ZQIUZPCESA-N 2 0 289.423 1.991 10 10 CDCERP COc1ccc(O)c([C@@H](C)[NH+]2CCC([NH3+])CC2)c1 ZINC000020521521 171235292 /nfs/dbraw/zinc/23/52/92/171235292.db2.gz YSNMIKFCTPGAMZ-SNVBAGLBSA-N 2 0 250.342 1.885 10 10 CDCERP CC(C)C[C@@H]([NH3+])CNC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841043363 621573297 /nfs/dbraw/zinc/57/32/97/621573297.db2.gz RLVPFHIILZIRKA-ZBFHGGJFSA-N 2 0 278.444 1.715 10 10 CDCERP C[N@@H+](Cc1ccccc1O)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923305796 837099783 /nfs/dbraw/zinc/09/97/83/837099783.db2.gz GBLMLDQQYMYINF-ZDUSSCGKSA-N 2 0 262.353 1.203 10 10 CDCERP C[NH2+]CCOCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000863544379 840318064 /nfs/dbraw/zinc/31/80/64/840318064.db2.gz RZGXLNKTWWEFDI-SNVBAGLBSA-N 2 0 256.321 1.418 10 10 CDCERP C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1cc3c(cc1O)OCO3)C2 ZINC000863649651 842518917 /nfs/dbraw/zinc/51/89/17/842518917.db2.gz CKDWYYCHVUFTKZ-IYBDPMFKSA-N 2 0 290.363 1.552 10 10 CDCERP C[N@H+](Cc1cc2c(cc1O)OCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843047082 937106139 /nfs/dbraw/zinc/10/61/39/937106139.db2.gz NRACNCJDBAYEFE-FUNVUKJBSA-N 2 0 290.363 1.836 10 10 CDCERP CCC[NH+]1CCN([C@H](C[NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000020179682 171044298 /nfs/dbraw/zinc/04/42/98/171044298.db2.gz ZHRHRHKONOYDEY-QGZVFWFLSA-N 2 0 290.455 1.780 10 10 CDCERP Cc1cc(Cl)cc(C[NH2+]CC2([NH3+])CCOCC2)c1O ZINC000863481969 846488197 /nfs/dbraw/zinc/48/81/97/846488197.db2.gz OKDNZGIJWULXHO-UHFFFAOYSA-N 2 0 284.787 1.952 10 10 CDCERP COCC[NH2+]C1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000844901803 846586090 /nfs/dbraw/zinc/58/60/90/846586090.db2.gz YPSOSFQLILLDCO-UHFFFAOYSA-N 2 0 278.396 1.901 10 10 CDCERP COc1cccc(O)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843117323 846754704 /nfs/dbraw/zinc/75/47/04/846754704.db2.gz ONULQVSLMBJJDV-INIZCTEOSA-N 2 0 276.380 1.976 10 10 CDCERP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000042880153 521710411 /nfs/dbraw/zinc/71/04/11/521710411.db2.gz IRPMORAAYRAMGU-NSHDSACASA-N 2 0 278.352 1.552 10 10 CDCERP CCOc1cccc(C[N@H+](C)CCOCC[NH2+]C)c1O ZINC000706674500 697809345 /nfs/dbraw/zinc/80/93/45/697809345.db2.gz KWQLINSCVLUNFI-UHFFFAOYSA-N 2 0 282.384 1.459 10 10 CDCERP COc1ccc(N2CC[C@@H]([NH2+][C@H](C)C3C[NH2+]C3)C2)cc1 ZINC000854216711 697976078 /nfs/dbraw/zinc/97/60/78/697976078.db2.gz CZTWHWQGYSRJGO-TZMCWYRMSA-N 2 0 275.396 1.471 10 10 CDCERP Cc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCOCC2)c(O)c1 ZINC000863542725 698558304 /nfs/dbraw/zinc/55/83/04/698558304.db2.gz YBZAWKIDEHTWBH-GFCCVEGCSA-N 2 0 264.369 1.859 10 10 CDCERP COc1ccc(O)c(C[NH2+]CCC2(C[NH3+])CC2)c1 ZINC000844904107 849408217 /nfs/dbraw/zinc/40/82/17/849408217.db2.gz ZFWFRQOZJWUGCN-UHFFFAOYSA-N 2 0 250.342 1.619 10 10 CDCERP C[NH2+]CCOCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000863544104 929566165 /nfs/dbraw/zinc/56/61/65/929566165.db2.gz LABUPVIRBFPQFU-CMPLNLGQSA-N 2 0 282.359 1.905 10 10 CDCERP Cc1cc(Cl)cc(C[N@H+](C)C[C@H](O)C[NH3+])c1O ZINC000841093101 711791409 /nfs/dbraw/zinc/79/14/09/711791409.db2.gz QRYYVPKURPVYAV-LLVKDONJSA-N 2 0 258.749 1.105 10 10 CDCERP C[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@H]1CC[NH+](C)C1 ZINC000156020417 361702101 /nfs/dbraw/zinc/70/21/01/361702101.db2.gz ZTEAVQFRMNORGB-NSHDSACASA-N 2 0 278.352 1.504 10 10 CDCERP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4C[C@@]4(O)C3)cc2)CC1 ZINC000895653510 619790688 /nfs/dbraw/zinc/79/06/88/619790688.db2.gz MMNBULHSBJRALD-NVXWUHKLSA-N 2 0 287.407 1.005 10 10 CDCERP Cc1cc(O)c(C[NH2+]CCN2CC[NH2+]CC2)c(Cl)c1 ZINC000841044712 621586646 /nfs/dbraw/zinc/58/66/46/621586646.db2.gz GMUGGYLTFKSJPH-UHFFFAOYSA-N 2 0 283.803 1.349 10 10 CDCERP C[C@@H]1C[NH2+]C[C@H]1CN1CCCc2cc(C[NH3+])ccc21 ZINC000903423789 625993958 /nfs/dbraw/zinc/99/39/58/625993958.db2.gz ZKGNCFMKNQNRNJ-DOMZBBRYSA-N 2 0 259.397 1.753 10 10 CDCERP C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@]1(C)C[NH3+] ZINC000311128621 712166978 /nfs/dbraw/zinc/16/69/78/712166978.db2.gz IRLAVKOOBAORQA-QMTHXVAHSA-N 2 0 252.333 1.948 10 10 CDCERP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000841076633 936974092 /nfs/dbraw/zinc/97/40/92/936974092.db2.gz KMEIDRALFFORJD-YUMQZZPRSA-N 2 0 273.174 1.980 10 10 CDCERP C[NH2+]CCOCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000863544131 929567244 /nfs/dbraw/zinc/56/72/44/929567244.db2.gz LTPYNTQWTRVKCL-ZDUSSCGKSA-N 2 0 266.385 1.896 10 10 CDCERP [NH3+]CCCOCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000863545858 929569053 /nfs/dbraw/zinc/56/90/53/929569053.db2.gz ICWVBKSDZKGIIQ-GFCCVEGCSA-N 2 0 250.342 1.335 10 10 CDCERP COc1ccc(O)c(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000841063653 618679571 /nfs/dbraw/zinc/67/95/71/618679571.db2.gz MTVPBBDFLHWNKW-MFKMUULPSA-N 2 0 250.342 1.488 10 10 CDCERP COc1cccc(O)c1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000843124226 937115307 /nfs/dbraw/zinc/11/53/07/937115307.db2.gz WHKYDJYWGZHABI-INIZCTEOSA-N 2 0 276.380 1.976 10 10 CDCERP