smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000817954210 1042131295 /nfs/dbraw/zinc/13/12/95/1042131295.db2.gz WBYVMHOFUKMMJE-ACJLOTCBSA-N 2 2 316.420 4.005 20 10 DICDLP Cc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)c(O)c1 ZINC000817954143 1042131772 /nfs/dbraw/zinc/13/17/72/1042131772.db2.gz VIEOPGSSGPYGHQ-KXBFYZLASA-N 2 2 312.457 4.175 20 10 DICDLP CC[C@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)c1cccc(Cl)c1O ZINC000817963108 1042132918 /nfs/dbraw/zinc/13/29/18/1042132918.db2.gz NKXJSGJSNUHZFR-PXAZEXFGSA-N 2 2 318.848 4.306 20 10 DICDLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(Cl)ccc1O ZINC000756440760 1046081207 /nfs/dbraw/zinc/08/12/07/1046081207.db2.gz GTFVWINQHXGNLV-WBMJQRKESA-N 2 2 321.852 4.008 20 10 DICDLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000834584989 1046634138 /nfs/dbraw/zinc/63/41/38/1046634138.db2.gz BMSRWSQTPWTWLQ-YJBOKZPZSA-N 2 2 324.468 4.099 20 10 DICDLP CC(C)[NH2+]c1ccc(Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001201498278 1048287530 /nfs/dbraw/zinc/28/75/30/1048287530.db2.gz UZUCJSMLCSOBKA-UHFFFAOYSA-N 2 2 324.472 4.002 20 10 DICDLP Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(O)c1 ZINC000788638017 1050722636 /nfs/dbraw/zinc/72/26/36/1050722636.db2.gz FOGTVIIHADCUCG-INIZCTEOSA-N 2 2 321.424 4.046 20 10 DICDLP CC[C@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1cccc(Cl)c1O ZINC000806157500 1051761101 /nfs/dbraw/zinc/76/11/01/1051761101.db2.gz GDUMEDGADRQVCE-YOEHRIQHSA-N 2 2 324.896 4.351 20 10 DICDLP CC[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cccc(Cl)c1O ZINC000806160979 1051763069 /nfs/dbraw/zinc/76/30/69/1051763069.db2.gz HAFZNMXCEIMVGC-INIZCTEOSA-N 2 2 324.896 4.208 20 10 DICDLP COc1ccc([N@H+](CCCn2cc[nH+]c2C)CCC(C)C)cc1 ZINC001473445386 1061162957 /nfs/dbraw/zinc/16/29/57/1061162957.db2.gz JJPACXLAAVEOBL-UHFFFAOYSA-N 2 2 315.461 4.143 20 10 DICDLP COc1ccc([N@@H+](CCCn2cc[nH+]c2C)CCC(C)C)cc1 ZINC001473445386 1061162962 /nfs/dbraw/zinc/16/29/62/1061162962.db2.gz JJPACXLAAVEOBL-UHFFFAOYSA-N 2 2 315.461 4.143 20 10 DICDLP CCCN(Cc1cc(C)[nH+]c2c1CCCC2)c1ccc(C[NH3+])cc1 ZINC001308741760 1066216248 /nfs/dbraw/zinc/21/62/48/1066216248.db2.gz YVVGAUSCBPHITI-UHFFFAOYSA-N 2 2 323.484 4.144 20 10 DICDLP C[C@@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1)c1ccccc1O ZINC000183512407 1041583637 /nfs/dbraw/zinc/58/36/37/1041583637.db2.gz AHMJLVAKHDFGOM-HZPDHXFCSA-N 2 2 312.457 4.172 20 10 DICDLP CC[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1cccc(Cl)c1O ZINC000815647369 1041984443 /nfs/dbraw/zinc/98/44/43/1041984443.db2.gz IHCDPGZRERYUQD-KRWDZBQOSA-N 2 2 324.896 4.352 20 10 DICDLP Cc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)c(O)c1 ZINC000817954138 1042131559 /nfs/dbraw/zinc/13/15/59/1042131559.db2.gz VIEOPGSSGPYGHQ-BEFAXECRSA-N 2 2 312.457 4.175 20 10 DICDLP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(O)c1C ZINC000756476242 1046086512 /nfs/dbraw/zinc/08/65/12/1046086512.db2.gz RERHAIYFCNDCFY-MRXNPFEDSA-N 2 2 321.424 4.046 20 10 DICDLP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000390557193 1047297670 /nfs/dbraw/zinc/29/76/70/1047297670.db2.gz IIYROFJUNANWAX-HKUYNNGSSA-N 2 2 324.468 4.016 20 10 DICDLP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000390557193 1047297688 /nfs/dbraw/zinc/29/76/88/1047297688.db2.gz IIYROFJUNANWAX-HKUYNNGSSA-N 2 2 324.468 4.016 20 10 DICDLP CC(C)[NH2+]c1ccc(Nc2ccc(N3CCC[C@@H]([NH3+])C3)cc2)cc1 ZINC001159982508 1047963893 /nfs/dbraw/zinc/96/38/93/1047963893.db2.gz UIAKWPIZJDEDLR-MRXNPFEDSA-N 2 2 324.472 4.178 20 10 DICDLP CC[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cccc(Cl)c1O ZINC000806160980 1051762663 /nfs/dbraw/zinc/76/26/63/1051762663.db2.gz HAFZNMXCEIMVGC-MRXNPFEDSA-N 2 2 324.896 4.208 20 10 DICDLP CC[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(Cl)c1O ZINC000287882792 131304705 /nfs/dbraw/zinc/30/47/05/131304705.db2.gz YMGNDJHDSLDPGM-QGZVFWFLSA-N 2 2 322.880 4.103 20 10 DICDLP CC[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1O ZINC000883387813 1044304010 /nfs/dbraw/zinc/30/40/10/1044304010.db2.gz FNWOEXIUXMRTBI-RTBURBONSA-N 2 2 321.424 4.071 20 10 DICDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(O)c1 ZINC000390577304 1047300908 /nfs/dbraw/zinc/30/09/08/1047300908.db2.gz XFZZFTJJTBOSIJ-HKUYNNGSSA-N 2 2 324.468 4.016 20 10 DICDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)c(O)c1 ZINC000390577304 1047300923 /nfs/dbraw/zinc/30/09/23/1047300923.db2.gz XFZZFTJJTBOSIJ-HKUYNNGSSA-N 2 2 324.468 4.016 20 10 DICDLP CC(C)[NH2+]c1ccc(Nc2ccccc2N2CCC[C@@H]([NH3+])C2)cc1 ZINC001159978853 1047963206 /nfs/dbraw/zinc/96/32/06/1047963206.db2.gz ZMKCLOIRXLPUGP-MRXNPFEDSA-N 2 2 324.472 4.178 20 10 DICDLP COc1ccc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1C ZINC000742392599 1050830916 /nfs/dbraw/zinc/83/09/16/1050830916.db2.gz ROUNNPLLPUELEI-MRXNPFEDSA-N 2 2 321.424 4.040 20 10 DICDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000817955315 1042131529 /nfs/dbraw/zinc/13/15/29/1042131529.db2.gz VOFSAURISWUSDN-UTKZUKDTSA-N 2 2 323.484 4.028 20 10 DICDLP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000817952205 1042131634 /nfs/dbraw/zinc/13/16/34/1042131634.db2.gz CUCBOXZABXQAIA-BEFAXECRSA-N 2 2 312.457 4.175 20 10 DICDLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000834584986 1046633953 /nfs/dbraw/zinc/63/39/53/1046633953.db2.gz BMSRWSQTPWTWLQ-CRAIPNDOSA-N 2 2 324.468 4.099 20 10 DICDLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(C)cc1O ZINC000794802149 1049699110 /nfs/dbraw/zinc/69/91/10/1049699110.db2.gz MTGDIJXYNLXIPZ-LJQANCHMSA-N 2 2 321.424 4.127 20 10 DICDLP CCCC[NH+]1CCC([NH2+][C@@H](CC)c2cccc(Cl)c2O)CC1 ZINC000806134948 1051734840 /nfs/dbraw/zinc/73/48/40/1051734840.db2.gz DPGKUODWAJOHRU-KRWDZBQOSA-N 2 2 324.896 4.351 20 10 DICDLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc2ccccc2c1O ZINC000273366815 130113068 /nfs/dbraw/zinc/11/30/68/130113068.db2.gz BRBMRGZGPLLGEM-HNNXBMFYSA-N 2 2 324.468 4.213 20 10 DICDLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1cccc(Cl)c1O ZINC000287765837 131299692 /nfs/dbraw/zinc/29/96/92/131299692.db2.gz RETFRPCGEISPTQ-INIZCTEOSA-N 2 2 321.852 4.072 20 10 DICDLP CC[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(Cl)c1O ZINC000287882790 535894925 /nfs/dbraw/zinc/89/49/25/535894925.db2.gz YMGNDJHDSLDPGM-KRWDZBQOSA-N 2 2 322.880 4.103 20 10 DICDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)c(O)c1 ZINC000817954140 1042131701 /nfs/dbraw/zinc/13/17/01/1042131701.db2.gz VIEOPGSSGPYGHQ-DNVCBOLYSA-N 2 2 312.457 4.175 20 10 DICDLP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000817952208 1042131767 /nfs/dbraw/zinc/13/17/67/1042131767.db2.gz CUCBOXZABXQAIA-DNVCBOLYSA-N 2 2 312.457 4.175 20 10 DICDLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc3ccccc3c2O)CC1 ZINC000192950400 1045956551 /nfs/dbraw/zinc/95/65/51/1045956551.db2.gz WWOMAZGOIIJXHM-HNNXBMFYSA-N 2 2 312.457 4.069 20 10 DICDLP CC(C)[NH2+]c1ccc(Nc2ccc(N3CCC[C@H]([NH3+])C3)cc2)cc1 ZINC001159982507 1047963601 /nfs/dbraw/zinc/96/36/01/1047963601.db2.gz UIAKWPIZJDEDLR-INIZCTEOSA-N 2 2 324.472 4.178 20 10 DICDLP CCCC[NH+]1CCC([NH2+][C@@H](CC)c2cc(Cl)ccc2O)CC1 ZINC000775496151 1049025663 /nfs/dbraw/zinc/02/56/63/1049025663.db2.gz FKMDQHSMJATFNY-KRWDZBQOSA-N 2 2 324.896 4.351 20 10 DICDLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1cc(Cl)ccc1O ZINC000775508185 1049048050 /nfs/dbraw/zinc/04/80/50/1049048050.db2.gz AHBIDBVQISOYBL-INIZCTEOSA-N 2 2 321.852 4.072 20 10 DICDLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774113235 1049603082 /nfs/dbraw/zinc/60/30/82/1049603082.db2.gz CNWWGLZLOKZBMM-NSHDSACASA-N 2 2 319.276 4.080 20 10 DICDLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774113235 1049603088 /nfs/dbraw/zinc/60/30/88/1049603088.db2.gz CNWWGLZLOKZBMM-NSHDSACASA-N 2 2 319.276 4.080 20 10 DICDLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)c1cccc(Cl)c1O ZINC000806136662 1051736380 /nfs/dbraw/zinc/73/63/80/1051736380.db2.gz BBNFWTMNJTYZNQ-RHSMWYFYSA-N 2 2 324.896 4.207 20 10 DICDLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1cccc(Cl)c1O ZINC000806136662 1051736394 /nfs/dbraw/zinc/73/63/94/1051736394.db2.gz BBNFWTMNJTYZNQ-RHSMWYFYSA-N 2 2 324.896 4.207 20 10 DICDLP CC[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1cccc(Cl)c1O ZINC000806129810 1051743304 /nfs/dbraw/zinc/74/33/04/1051743304.db2.gz KCZWSBJHQSJVBG-QGZVFWFLSA-N 2 2 324.896 4.207 20 10 DICDLP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccc(Cl)c2O)C2CCCC2)CC1 ZINC001236571643 1055193072 /nfs/dbraw/zinc/19/30/72/1055193072.db2.gz LGVPZNVXOQUTGN-KOMQPUFPSA-N 2 2 322.880 4.060 20 10 DICDLP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccc(Cl)c2O)C2CCCC2)CC1 ZINC001236571643 1055193077 /nfs/dbraw/zinc/19/30/77/1055193077.db2.gz LGVPZNVXOQUTGN-KOMQPUFPSA-N 2 2 322.880 4.060 20 10 DICDLP Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(O)c1 ZINC000284140201 131052697 /nfs/dbraw/zinc/05/26/97/131052697.db2.gz OTLSQWSRYGMBPT-MRXNPFEDSA-N 2 2 321.424 4.046 20 10 DICDLP CC[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1cccc(Cl)c1O ZINC000815647370 1041984307 /nfs/dbraw/zinc/98/43/07/1041984307.db2.gz IHCDPGZRERYUQD-QGZVFWFLSA-N 2 2 324.896 4.352 20 10 DICDLP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000390557200 1047298000 /nfs/dbraw/zinc/29/80/00/1047298000.db2.gz IIYROFJUNANWAX-PKOBYXMFSA-N 2 2 324.468 4.016 20 10 DICDLP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000390557200 1047298007 /nfs/dbraw/zinc/29/80/07/1047298007.db2.gz IIYROFJUNANWAX-PKOBYXMFSA-N 2 2 324.468 4.016 20 10 DICDLP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000390557199 1047298127 /nfs/dbraw/zinc/29/81/27/1047298127.db2.gz IIYROFJUNANWAX-MJGOQNOKSA-N 2 2 324.468 4.016 20 10 DICDLP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000390557199 1047298135 /nfs/dbraw/zinc/29/81/35/1047298135.db2.gz IIYROFJUNANWAX-MJGOQNOKSA-N 2 2 324.468 4.016 20 10 DICDLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(C)cc1O ZINC000794802147 1049698978 /nfs/dbraw/zinc/69/89/78/1049698978.db2.gz MTGDIJXYNLXIPZ-IBGZPJMESA-N 2 2 321.424 4.127 20 10 DICDLP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(O)c1C ZINC000273442941 130122330 /nfs/dbraw/zinc/12/23/30/130122330.db2.gz ZDFMLERSRQJSAI-INIZCTEOSA-N 2 2 321.424 4.046 20 10 DICDLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccccc1O ZINC000398011069 1041751298 /nfs/dbraw/zinc/75/12/98/1041751298.db2.gz LSPNQGSMROYKMU-DYESRHJHSA-N 2 2 324.468 4.098 20 10 DICDLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccccc1O ZINC000398011069 1041751307 /nfs/dbraw/zinc/75/13/07/1041751307.db2.gz LSPNQGSMROYKMU-DYESRHJHSA-N 2 2 324.468 4.098 20 10 DICDLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000817954213 1042131834 /nfs/dbraw/zinc/13/18/34/1042131834.db2.gz WBYVMHOFUKMMJE-SCLBCKFNSA-N 2 2 316.420 4.005 20 10 DICDLP CC[C@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1cccc(Cl)c1O ZINC000817963109 1042132458 /nfs/dbraw/zinc/13/24/58/1042132458.db2.gz NKXJSGJSNUHZFR-SJCJKPOMSA-N 2 2 318.848 4.306 20 10 DICDLP CC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(C)cc1O ZINC000280245609 1042568227 /nfs/dbraw/zinc/56/82/27/1042568227.db2.gz WHDUEHUMYRTQKX-GOSISDBHSA-N 2 2 321.424 4.127 20 10 DICDLP CC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cc(Cl)ccc1O ZINC000794836106 1043084086 /nfs/dbraw/zinc/08/40/86/1043084086.db2.gz MFPNHLXMPLOHIX-DQPZFDDXSA-N 2 2 322.880 4.103 20 10 DICDLP CC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cc(Cl)ccc1O ZINC000794836108 1043084124 /nfs/dbraw/zinc/08/41/24/1043084124.db2.gz MFPNHLXMPLOHIX-VMBOVVBDSA-N 2 2 322.880 4.103 20 10 DICDLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(Cl)cc1O ZINC000841745639 1047448859 /nfs/dbraw/zinc/44/88/59/1047448859.db2.gz RLZCADTZHQKCBC-LRDDRELGSA-N 2 2 321.852 4.008 20 10 DICDLP CC(C)[NH2+]c1ccc(Nc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC001201498145 1048287057 /nfs/dbraw/zinc/28/70/57/1048287057.db2.gz PVBAQNYMGUSJIC-UHFFFAOYSA-N 2 2 313.445 4.191 20 10 DICDLP COc1ccc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1C ZINC000742392598 1050830641 /nfs/dbraw/zinc/83/06/41/1050830641.db2.gz ROUNNPLLPUELEI-INIZCTEOSA-N 2 2 321.424 4.040 20 10 DICDLP CC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(Cl)c1O ZINC000287662846 535802743 /nfs/dbraw/zinc/80/27/43/535802743.db2.gz LTGKKGSJCGZSLF-MRXNPFEDSA-N 2 2 324.896 4.349 20 10 DICDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000817955313 1042131668 /nfs/dbraw/zinc/13/16/68/1042131668.db2.gz VOFSAURISWUSDN-DYESRHJHSA-N 2 2 323.484 4.028 20 10 DICDLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)c(O)c1 ZINC000390577308 1047299103 /nfs/dbraw/zinc/29/91/03/1047299103.db2.gz XFZZFTJJTBOSIJ-IEBWSBKVSA-N 2 2 324.468 4.016 20 10 DICDLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)c(O)c1 ZINC000390577308 1047299112 /nfs/dbraw/zinc/29/91/12/1047299112.db2.gz XFZZFTJJTBOSIJ-IEBWSBKVSA-N 2 2 324.468 4.016 20 10 DICDLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774113233 1049602358 /nfs/dbraw/zinc/60/23/58/1049602358.db2.gz CNWWGLZLOKZBMM-LLVKDONJSA-N 2 2 319.276 4.080 20 10 DICDLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774113233 1049602349 /nfs/dbraw/zinc/60/23/49/1049602349.db2.gz CNWWGLZLOKZBMM-LLVKDONJSA-N 2 2 319.276 4.080 20 10 DICDLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(Cl)ccc1O ZINC000756440752 1046080897 /nfs/dbraw/zinc/08/08/97/1046080897.db2.gz GTFVWINQHXGNLV-LRDDRELGSA-N 2 2 321.852 4.008 20 10 DICDLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccccc1O ZINC000398011074 1047327539 /nfs/dbraw/zinc/32/75/39/1047327539.db2.gz LSPNQGSMROYKMU-LAUBAEHRSA-N 2 2 324.468 4.098 20 10 DICDLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccccc1O ZINC000398011074 1047327556 /nfs/dbraw/zinc/32/75/56/1047327556.db2.gz LSPNQGSMROYKMU-LAUBAEHRSA-N 2 2 324.468 4.098 20 10 DICDLP CCC[NH+]1CCC(C[NH2+][C@H](CC)c2cccc(Cl)c2O)CC1 ZINC000806136703 1051736749 /nfs/dbraw/zinc/73/67/49/1051736749.db2.gz BNQCHLOWXDEGMD-QGZVFWFLSA-N 2 2 324.896 4.208 20 10 DICDLP CCC[NH+]1CCC(C[NH2+][C@@H](CC)c2cccc(Cl)c2O)CC1 ZINC000806136701 1051736925 /nfs/dbraw/zinc/73/69/25/1051736925.db2.gz BNQCHLOWXDEGMD-KRWDZBQOSA-N 2 2 324.896 4.208 20 10 DICDLP CC[C@@H]([NH2+]CCC1CC[NH+](CC)CC1)c1cccc(Cl)c1O ZINC000806142029 1051749489 /nfs/dbraw/zinc/74/94/89/1051749489.db2.gz NEVKGQXGNADHAJ-QGZVFWFLSA-N 2 2 324.896 4.208 20 10 DICDLP CC[C@@H]([NH2+]CC[C@@H](C)[NH+]1CCCCC1)c1cccc(Cl)c1O ZINC000806157498 1051760571 /nfs/dbraw/zinc/76/05/71/1051760571.db2.gz GDUMEDGADRQVCE-RHSMWYFYSA-N 2 2 324.896 4.351 20 10 DICDLP CC[C@H]([NH2+]CC[C@@H](C)[NH+]1CCCCC1)c1cccc(Cl)c1O ZINC000806157497 1051761183 /nfs/dbraw/zinc/76/11/83/1051761183.db2.gz GDUMEDGADRQVCE-PBHICJAKSA-N 2 2 324.896 4.351 20 10 DICDLP C[C@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1ccccc1O ZINC000183512350 1053672668 /nfs/dbraw/zinc/67/26/68/1053672668.db2.gz AHMJLVAKHDFGOM-HOTGVXAUSA-N 2 2 312.457 4.172 20 10 DICDLP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000817952214 1042131083 /nfs/dbraw/zinc/13/10/83/1042131083.db2.gz CUCBOXZABXQAIA-KXBFYZLASA-N 2 2 312.457 4.175 20 10 DICDLP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000390557197 1047297436 /nfs/dbraw/zinc/29/74/36/1047297436.db2.gz IIYROFJUNANWAX-IEBWSBKVSA-N 2 2 324.468 4.016 20 10 DICDLP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000390557197 1047297451 /nfs/dbraw/zinc/29/74/51/1047297451.db2.gz IIYROFJUNANWAX-IEBWSBKVSA-N 2 2 324.468 4.016 20 10 DICDLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(Cl)cc1O ZINC000841745640 1047448325 /nfs/dbraw/zinc/44/83/25/1047448325.db2.gz RLZCADTZHQKCBC-MLGOLLRUSA-N 2 2 321.852 4.008 20 10 DICDLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(Cl)cc1O ZINC000841745638 1047448402 /nfs/dbraw/zinc/44/84/02/1047448402.db2.gz RLZCADTZHQKCBC-BLLLJJGKSA-N 2 2 321.852 4.008 20 10 DICDLP CC[C@@H]([NH2+]Cc1ccccc1C[NH2+]C)c1cccc(Cl)c1O ZINC000844926393 1050522177 /nfs/dbraw/zinc/52/21/77/1050522177.db2.gz ZFWVYFZRFUYRPU-QGZVFWFLSA-N 2 2 318.848 4.006 20 10 DICDLP CC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(Cl)c1O ZINC000287662836 535894085 /nfs/dbraw/zinc/89/40/85/535894085.db2.gz LTGKKGSJCGZSLF-INIZCTEOSA-N 2 2 324.896 4.349 20 10 DICDLP C[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1ccccc1O ZINC000183512385 1041583848 /nfs/dbraw/zinc/58/38/48/1041583848.db2.gz AHMJLVAKHDFGOM-JKSUJKDBSA-N 2 2 312.457 4.172 20 10 DICDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000817955314 1042131598 /nfs/dbraw/zinc/13/15/98/1042131598.db2.gz VOFSAURISWUSDN-LAUBAEHRSA-N 2 2 323.484 4.028 20 10 DICDLP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc3ccccc3c2O)CC1 ZINC000320042147 1042303490 /nfs/dbraw/zinc/30/34/90/1042303490.db2.gz QIPZFWCJTZKQFN-HNNXBMFYSA-N 2 2 312.457 4.070 20 10 DICDLP CC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(C)cc1O ZINC000280245612 1042568305 /nfs/dbraw/zinc/56/83/05/1042568305.db2.gz WHDUEHUMYRTQKX-SFHVURJKSA-N 2 2 321.424 4.127 20 10 DICDLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000834584988 1046633464 /nfs/dbraw/zinc/63/34/64/1046633464.db2.gz BMSRWSQTPWTWLQ-QAPCUYQASA-N 2 2 324.468 4.099 20 10 DICDLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000834584987 1046634015 /nfs/dbraw/zinc/63/40/15/1046634015.db2.gz BMSRWSQTPWTWLQ-MAUKXSAKSA-N 2 2 324.468 4.099 20 10 DICDLP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1cc(Cl)ccc1O ZINC000775508189 1049047989 /nfs/dbraw/zinc/04/79/89/1049047989.db2.gz AHBIDBVQISOYBL-MRXNPFEDSA-N 2 2 321.852 4.072 20 10 DICDLP CCCC[NH+]1CCC([NH2+][C@H](CC)c2cccc(Cl)c2O)CC1 ZINC000806134949 1051735164 /nfs/dbraw/zinc/73/51/64/1051735164.db2.gz DPGKUODWAJOHRU-QGZVFWFLSA-N 2 2 324.896 4.351 20 10 DICDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)c1cccc(Cl)c1O ZINC000806136664 1051737024 /nfs/dbraw/zinc/73/70/24/1051737024.db2.gz BBNFWTMNJTYZNQ-WMLDXEAASA-N 2 2 324.896 4.207 20 10 DICDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1cccc(Cl)c1O ZINC000806136664 1051737036 /nfs/dbraw/zinc/73/70/36/1051737036.db2.gz BBNFWTMNJTYZNQ-WMLDXEAASA-N 2 2 324.896 4.207 20 10 DICDLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)c1ccccc1O)c1ccccc1 ZINC000183512368 1053671925 /nfs/dbraw/zinc/67/19/25/1053671925.db2.gz AHMJLVAKHDFGOM-CVEARBPZSA-N 2 2 312.457 4.172 20 10 DICDLP CC(C)[N@H+](Cc1cccc(-c2ccccc2)c1O)[C@@H]1CCC[NH2+]C1 ZINC001236470212 1055129111 /nfs/dbraw/zinc/12/91/11/1055129111.db2.gz BVYAUOIRFUHSAY-LJQANCHMSA-N 2 2 324.468 4.022 20 10 DICDLP CC(C)[N@@H+](Cc1cccc(-c2ccccc2)c1O)[C@@H]1CCC[NH2+]C1 ZINC001236470212 1055129122 /nfs/dbraw/zinc/12/91/22/1055129122.db2.gz BVYAUOIRFUHSAY-LJQANCHMSA-N 2 2 324.468 4.022 20 10 DICDLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc2ccccc2c1O ZINC000373519889 336963531 /nfs/dbraw/zinc/96/35/31/336963531.db2.gz GYJLIRQUKPNHJX-ZLPCBKJTSA-N 2 2 324.468 4.213 20 10 DICDLP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1cccc(Cl)c1O ZINC000287765840 535803670 /nfs/dbraw/zinc/80/36/70/535803670.db2.gz RETFRPCGEISPTQ-MRXNPFEDSA-N 2 2 321.852 4.072 20 10 DICDLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000817954215 1042131311 /nfs/dbraw/zinc/13/13/11/1042131311.db2.gz WBYVMHOFUKMMJE-UGSOOPFHSA-N 2 2 316.420 4.005 20 10 DICDLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1O ZINC000883387812 1044303615 /nfs/dbraw/zinc/30/36/15/1044303615.db2.gz FNWOEXIUXMRTBI-RBUKOAKNSA-N 2 2 321.424 4.071 20 10 DICDLP CC[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1O ZINC000883387810 1044304360 /nfs/dbraw/zinc/30/43/60/1044304360.db2.gz FNWOEXIUXMRTBI-MOPGFXCFSA-N 2 2 321.424 4.071 20 10 DICDLP CC(C)[NH2+]c1ccc(Nc2ccccc2N2CCC[C@H]([NH3+])C2)cc1 ZINC001159978852 1047963926 /nfs/dbraw/zinc/96/39/26/1047963926.db2.gz ZMKCLOIRXLPUGP-INIZCTEOSA-N 2 2 324.472 4.178 20 10 DICDLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)c1cccc(Cl)c1O ZINC000806136661 1051737704 /nfs/dbraw/zinc/73/77/04/1051737704.db2.gz BBNFWTMNJTYZNQ-PBHICJAKSA-N 2 2 324.896 4.207 20 10 DICDLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1cccc(Cl)c1O ZINC000806136661 1051737717 /nfs/dbraw/zinc/73/77/17/1051737717.db2.gz BBNFWTMNJTYZNQ-PBHICJAKSA-N 2 2 324.896 4.207 20 10 DICDLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000273352997 130109066 /nfs/dbraw/zinc/10/90/66/130109066.db2.gz CCFWWCNFWHVKIS-OAHLLOKOSA-N 2 2 306.409 4.142 20 10 DICDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)c(O)c1 ZINC000817954141 1042131332 /nfs/dbraw/zinc/13/13/32/1042131332.db2.gz VIEOPGSSGPYGHQ-HNAYVOBHSA-N 2 2 312.457 4.175 20 10 DICDLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(Cl)ccc1O ZINC000756440757 1046082844 /nfs/dbraw/zinc/08/28/44/1046082844.db2.gz GTFVWINQHXGNLV-MLGOLLRUSA-N 2 2 321.852 4.008 20 10 DICDLP Cc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(O)c1C ZINC000756476241 1046086395 /nfs/dbraw/zinc/08/63/95/1046086395.db2.gz RERHAIYFCNDCFY-INIZCTEOSA-N 2 2 321.424 4.046 20 10 DICDLP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)c(O)c1 ZINC000390577316 1047300121 /nfs/dbraw/zinc/30/01/21/1047300121.db2.gz XFZZFTJJTBOSIJ-PKOBYXMFSA-N 2 2 324.468 4.016 20 10 DICDLP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)c(O)c1 ZINC000390577316 1047300136 /nfs/dbraw/zinc/30/01/36/1047300136.db2.gz XFZZFTJJTBOSIJ-PKOBYXMFSA-N 2 2 324.468 4.016 20 10 DICDLP CC(C)[NH2+]c1ccc(Nc2cccc(N3CC[NH+](C)CC3)c2)cc1 ZINC001201497671 1048285695 /nfs/dbraw/zinc/28/56/95/1048285695.db2.gz JJMOAKAXFGNWIB-UHFFFAOYSA-N 2 2 324.472 4.002 20 10 DICDLP CC[C@H]([NH2+]Cc1ccccc1C[NH2+]C)c1cccc(Cl)c1O ZINC000844926392 1050521847 /nfs/dbraw/zinc/52/18/47/1050521847.db2.gz ZFWVYFZRFUYRPU-KRWDZBQOSA-N 2 2 318.848 4.006 20 10 DICDLP CC(C)(C)C[N@H+](Cc1cccc(Cl)c1O)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236780962 1055253651 /nfs/dbraw/zinc/25/36/51/1055253651.db2.gz ZMIJNGJFSQAOGG-SHTZXODSSA-N 2 2 324.896 4.164 20 10 DICDLP CC(C)(C)C[N@@H+](Cc1cccc(Cl)c1O)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236780962 1055253660 /nfs/dbraw/zinc/25/36/60/1055253660.db2.gz ZMIJNGJFSQAOGG-SHTZXODSSA-N 2 2 324.896 4.164 20 10 DICDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000817955316 1042131243 /nfs/dbraw/zinc/13/12/43/1042131243.db2.gz VOFSAURISWUSDN-UWJYYQICSA-N 2 2 323.484 4.028 20 10 DICDLP CC[C@@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)c1cccc(Cl)c1O ZINC000817963110 1042132505 /nfs/dbraw/zinc/13/25/05/1042132505.db2.gz NKXJSGJSNUHZFR-SJKOYZFVSA-N 2 2 318.848 4.306 20 10 DICDLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc3ccccc3c2O)CC1 ZINC000192950412 1045956978 /nfs/dbraw/zinc/95/69/78/1045956978.db2.gz WWOMAZGOIIJXHM-OAHLLOKOSA-N 2 2 312.457 4.069 20 10 DICDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(O)c1 ZINC000390577312 1047300352 /nfs/dbraw/zinc/30/03/52/1047300352.db2.gz XFZZFTJJTBOSIJ-MJGOQNOKSA-N 2 2 324.468 4.016 20 10 DICDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)c(O)c1 ZINC000390577312 1047300366 /nfs/dbraw/zinc/30/03/66/1047300366.db2.gz XFZZFTJJTBOSIJ-MJGOQNOKSA-N 2 2 324.468 4.016 20 10 DICDLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccccc1O ZINC000398011079 1047327411 /nfs/dbraw/zinc/32/74/11/1047327411.db2.gz LSPNQGSMROYKMU-UTKZUKDTSA-N 2 2 324.468 4.098 20 10 DICDLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccccc1O ZINC000398011079 1047327425 /nfs/dbraw/zinc/32/74/25/1047327425.db2.gz LSPNQGSMROYKMU-UTKZUKDTSA-N 2 2 324.468 4.098 20 10 DICDLP C[C@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccccc1O ZINC000398011082 1047327952 /nfs/dbraw/zinc/32/79/52/1047327952.db2.gz LSPNQGSMROYKMU-UWJYYQICSA-N 2 2 324.468 4.098 20 10 DICDLP C[C@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccccc1O ZINC000398011082 1047327962 /nfs/dbraw/zinc/32/79/62/1047327962.db2.gz LSPNQGSMROYKMU-UWJYYQICSA-N 2 2 324.468 4.098 20 10 DICDLP CC(C)[NH2+]c1ccc(Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC001201497018 1048284378 /nfs/dbraw/zinc/28/43/78/1048284378.db2.gz BQJXZLKPESRMJU-UHFFFAOYSA-N 2 2 324.472 4.002 20 10 DICDLP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(O)c1C ZINC000273442942 130122151 /nfs/dbraw/zinc/12/21/51/130122151.db2.gz ZDFMLERSRQJSAI-MRXNPFEDSA-N 2 2 321.424 4.046 20 10 DICDLP Cc1cc(C)c([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(O)c1 ZINC000284140195 131053207 /nfs/dbraw/zinc/05/32/07/131053207.db2.gz OTLSQWSRYGMBPT-INIZCTEOSA-N 2 2 321.424 4.046 20 10 DICDLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000817954211 1042131820 /nfs/dbraw/zinc/13/18/20/1042131820.db2.gz WBYVMHOFUKMMJE-FZKQIMNGSA-N 2 2 316.420 4.005 20 10 DICDLP CC[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1cccc(Cl)c1O ZINC000817963111 1042132553 /nfs/dbraw/zinc/13/25/53/1042132553.db2.gz NKXJSGJSNUHZFR-YVEFUNNKSA-N 2 2 318.848 4.306 20 10 DICDLP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc3ccccc3c2O)CC1 ZINC000320042149 1042302833 /nfs/dbraw/zinc/30/28/33/1042302833.db2.gz QIPZFWCJTZKQFN-OAHLLOKOSA-N 2 2 312.457 4.070 20 10 DICDLP CC[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(C)cc1O ZINC000794805105 1043049063 /nfs/dbraw/zinc/04/90/63/1043049063.db2.gz FTWKFXUVZFDPFV-QGZVFWFLSA-N 2 2 313.445 4.029 20 10 DICDLP CC[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(C)cc1O ZINC000794805102 1043049138 /nfs/dbraw/zinc/04/91/38/1043049138.db2.gz FTWKFXUVZFDPFV-KRWDZBQOSA-N 2 2 313.445 4.029 20 10 DICDLP CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1O ZINC000883387811 1044302639 /nfs/dbraw/zinc/30/26/39/1044302639.db2.gz FNWOEXIUXMRTBI-OALUTQOASA-N 2 2 321.424 4.071 20 10 DICDLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(Cl)ccc1O ZINC000756440749 1046080452 /nfs/dbraw/zinc/08/04/52/1046080452.db2.gz GTFVWINQHXGNLV-BLLLJJGKSA-N 2 2 321.852 4.008 20 10 DICDLP Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(O)c1 ZINC000788638018 1050722199 /nfs/dbraw/zinc/72/21/99/1050722199.db2.gz FOGTVIIHADCUCG-MRXNPFEDSA-N 2 2 321.424 4.046 20 10 DICDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)c1cccc(Cl)c1O ZINC000806136665 1051737349 /nfs/dbraw/zinc/73/73/49/1051737349.db2.gz BBNFWTMNJTYZNQ-YOEHRIQHSA-N 2 2 324.896 4.207 20 10 DICDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1cccc(Cl)c1O ZINC000806136665 1051737365 /nfs/dbraw/zinc/73/73/65/1051737365.db2.gz BBNFWTMNJTYZNQ-YOEHRIQHSA-N 2 2 324.896 4.207 20 10 DICDLP CC[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(Cl)c1O ZINC000806128655 1051743894 /nfs/dbraw/zinc/74/38/94/1051743894.db2.gz VFOZXQTVOXUDPW-HNNXBMFYSA-N 2 2 324.896 4.396 20 10 DICDLP CC[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1cccc(Cl)c1O ZINC000806129809 1051744245 /nfs/dbraw/zinc/74/42/45/1051744245.db2.gz KCZWSBJHQSJVBG-KRWDZBQOSA-N 2 2 324.896 4.207 20 10 DICDLP CC[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(Cl)c1O ZINC000806128656 1051744452 /nfs/dbraw/zinc/74/44/52/1051744452.db2.gz VFOZXQTVOXUDPW-OAHLLOKOSA-N 2 2 324.896 4.396 20 10 DICDLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc2ccccc2c1O ZINC000185659740 1054606939 /nfs/dbraw/zinc/60/69/39/1054606939.db2.gz QJQSXEITLIDRPV-OAHLLOKOSA-N 2 2 321.424 4.093 20 10 DICDLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc2ccccc2c1O ZINC000185659724 1054608016 /nfs/dbraw/zinc/60/80/16/1054608016.db2.gz QJQSXEITLIDRPV-HNNXBMFYSA-N 2 2 321.424 4.093 20 10 DICDLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000273352994 130109099 /nfs/dbraw/zinc/10/90/99/130109099.db2.gz CCFWWCNFWHVKIS-HNNXBMFYSA-N 2 2 306.409 4.142 20 10 DICDLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc2ccccc2c1O ZINC000273366817 130113243 /nfs/dbraw/zinc/11/32/43/130113243.db2.gz BRBMRGZGPLLGEM-OAHLLOKOSA-N 2 2 324.468 4.213 20 10 DICDLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc2ccccc2c1O ZINC000373519883 336963539 /nfs/dbraw/zinc/96/35/39/336963539.db2.gz GYJLIRQUKPNHJX-FAEJEUNOSA-N 2 2 324.468 4.213 20 10 DICDLP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000817952211 1042131368 /nfs/dbraw/zinc/13/13/68/1042131368.db2.gz CUCBOXZABXQAIA-HNAYVOBHSA-N 2 2 312.457 4.175 20 10 DICDLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(Cl)cc1O ZINC000841745641 1047448765 /nfs/dbraw/zinc/44/87/65/1047448765.db2.gz RLZCADTZHQKCBC-WBMJQRKESA-N 2 2 321.852 4.008 20 10 DICDLP CCCC[NH+]1CCC([NH2+][C@H](CC)c2cc(Cl)ccc2O)CC1 ZINC000775496152 1049025957 /nfs/dbraw/zinc/02/59/57/1049025957.db2.gz FKMDQHSMJATFNY-QGZVFWFLSA-N 2 2 324.896 4.351 20 10 DICDLP CC[C@H]([NH2+]CCC1CC[NH+](CC)CC1)c1cccc(Cl)c1O ZINC000806142026 1051750171 /nfs/dbraw/zinc/75/01/71/1051750171.db2.gz NEVKGQXGNADHAJ-KRWDZBQOSA-N 2 2 324.896 4.208 20 10 DICDLP CC[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1cccc(Cl)c1O ZINC000806157499 1051761908 /nfs/dbraw/zinc/76/19/08/1051761908.db2.gz GDUMEDGADRQVCE-WMLDXEAASA-N 2 2 324.896 4.351 20 10 DICDLP Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)c1O ZINC000808717852 1052077508 /nfs/dbraw/zinc/07/75/08/1052077508.db2.gz HOMMBFIDNONLEG-IUDNXUCKSA-N 2 2 322.880 4.022 20 10 DICDLP Cc1cc(Cl)cc([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)c1O ZINC000808717853 1052077989 /nfs/dbraw/zinc/07/79/89/1052077989.db2.gz HOMMBFIDNONLEG-JEYLPNPQSA-N 2 2 322.880 4.022 20 10 DICDLP CCC(CC)[N@H+](Cc1cccc(Cl)c1O)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236790020 1055258243 /nfs/dbraw/zinc/25/82/43/1055258243.db2.gz FVBRQSTZINCHBN-KOMQPUFPSA-N 2 2 324.896 4.306 20 10 DICDLP CCC(CC)[N@@H+](Cc1cccc(Cl)c1O)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236790020 1055258259 /nfs/dbraw/zinc/25/82/59/1055258259.db2.gz FVBRQSTZINCHBN-KOMQPUFPSA-N 2 2 324.896 4.306 20 10 DICDLP