smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1cc2c(nc[nH+]c2N2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)[nH]1 ZINC000095500115 185374569 /nfs/dbraw/zinc/37/45/69/185374569.db2.gz NOWJEZAEVPMBSZ-AWEZNQCLSA-N 2 2 322.416 2.948 50 0 DFAALP CC[C@H](NC(=O)CC1CC[NH+](C(C)C)CC1)c1[nH]cc(C)[nH+]1 ZINC000095499983 185374685 /nfs/dbraw/zinc/37/46/85/185374685.db2.gz PGHMEHQHMRFWIV-HNNXBMFYSA-N 2 2 306.454 2.796 50 0 DFAALP OC[C@]1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCc2ccccc21 ZINC000095429782 185362555 /nfs/dbraw/zinc/36/25/55/185362555.db2.gz BFYPFNHWSHCNKN-HXUWFJFHSA-N 2 2 319.408 2.796 50 0 DFAALP OCC[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000585134893 398434201 /nfs/dbraw/zinc/43/42/01/398434201.db2.gz OIANEYHZGCFXAG-GUDVDZBRSA-N 2 2 302.462 2.759 50 0 DFAALP OCC[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000585134893 398434204 /nfs/dbraw/zinc/43/42/04/398434204.db2.gz OIANEYHZGCFXAG-GUDVDZBRSA-N 2 2 302.462 2.759 50 0 DFAALP Cc1nc(C)c(C[N@@H+](Cc2cccnc2)C[C@H]2CC[NH2+]C2)s1 ZINC000328625610 398565975 /nfs/dbraw/zinc/56/59/75/398565975.db2.gz DIQLRIAMNQLKMA-INIZCTEOSA-N 2 2 316.474 2.767 50 0 DFAALP Cc1nc(C)c(C[N@H+](Cc2cccnc2)C[C@H]2CC[NH2+]C2)s1 ZINC000328625610 398565978 /nfs/dbraw/zinc/56/59/78/398565978.db2.gz DIQLRIAMNQLKMA-INIZCTEOSA-N 2 2 316.474 2.767 50 0 DFAALP C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000069700022 398581067 /nfs/dbraw/zinc/58/10/67/398581067.db2.gz KTGQGJPYDAZYKC-ROUUACIJSA-N 2 2 324.428 2.571 50 0 DFAALP C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000069700022 398581070 /nfs/dbraw/zinc/58/10/70/398581070.db2.gz KTGQGJPYDAZYKC-ROUUACIJSA-N 2 2 324.428 2.571 50 0 DFAALP CC(=O)Nc1ccc(-c2[nH+]ccn2C[C@H]2CCCC[N@H+]2C)cc1 ZINC000071747914 191020473 /nfs/dbraw/zinc/02/04/73/191020473.db2.gz DHTFOOIBPQXPLP-QGZVFWFLSA-N 2 2 312.417 2.993 50 0 DFAALP CC(=O)Nc1ccc(-c2[nH+]ccn2C[C@H]2CCCC[N@@H+]2C)cc1 ZINC000071747914 191020475 /nfs/dbraw/zinc/02/04/75/191020475.db2.gz DHTFOOIBPQXPLP-QGZVFWFLSA-N 2 2 312.417 2.993 50 0 DFAALP COC(=O)c1ccc([C@@H](C)[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)o1 ZINC000091595322 193077339 /nfs/dbraw/zinc/07/73/39/193077339.db2.gz IUSHTVIASZGRSU-OCCSQVGLSA-N 2 2 316.357 2.676 50 0 DFAALP COC(=O)c1ccc([C@@H](C)[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)o1 ZINC000091595322 193077341 /nfs/dbraw/zinc/07/73/41/193077341.db2.gz IUSHTVIASZGRSU-OCCSQVGLSA-N 2 2 316.357 2.676 50 0 DFAALP COC(=O)c1ccccc1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000091959658 193132167 /nfs/dbraw/zinc/13/21/67/193132167.db2.gz KNJZWOBEKLFZMC-YOEHRIQHSA-N 2 2 313.401 2.753 50 0 DFAALP COC(=O)c1ccccc1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000091959658 193132170 /nfs/dbraw/zinc/13/21/70/193132170.db2.gz KNJZWOBEKLFZMC-YOEHRIQHSA-N 2 2 313.401 2.753 50 0 DFAALP CCOc1cccc(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000092078596 193155153 /nfs/dbraw/zinc/15/51/53/193155153.db2.gz WDSKRJQHCXIIFF-INIZCTEOSA-N 2 2 318.461 2.770 50 0 DFAALP CCOc1cccc(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000092078596 193155154 /nfs/dbraw/zinc/15/51/54/193155154.db2.gz WDSKRJQHCXIIFF-INIZCTEOSA-N 2 2 318.461 2.770 50 0 DFAALP CC(C)n1nc(C[NH2+]CCCn2cc[nH+]c2)c(-c2ccccc2)n1 ZINC000261492136 203071938 /nfs/dbraw/zinc/07/19/38/203071938.db2.gz QOPGKIXCYXVIID-UHFFFAOYSA-N 2 2 324.432 2.902 50 0 DFAALP COc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1OC ZINC000093597647 193272968 /nfs/dbraw/zinc/27/29/68/193272968.db2.gz DMUHFOBMZWGKMP-HNNXBMFYSA-N 2 2 304.434 2.622 50 0 DFAALP COc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1OC ZINC000093597647 193272969 /nfs/dbraw/zinc/27/29/69/193272969.db2.gz DMUHFOBMZWGKMP-HNNXBMFYSA-N 2 2 304.434 2.622 50 0 DFAALP COc1ccc(C[NH+]2CCC([NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000019889880 182160884 /nfs/dbraw/zinc/16/08/84/182160884.db2.gz FISVOPPNAGRPSW-HOTGVXAUSA-N 2 2 318.461 2.769 50 0 DFAALP O[C@H](C[NH2+]Cc1ccc(Cl)c(Cl)c1)C[NH+]1CCCCC1 ZINC000058009031 184066938 /nfs/dbraw/zinc/06/69/38/184066938.db2.gz MRHMZDAUVSYXEW-CYBMUJFWSA-N 2 2 317.260 2.930 50 0 DFAALP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C[N@@H+]1C ZINC000252477810 257258246 /nfs/dbraw/zinc/25/82/46/257258246.db2.gz VUVCCKAZLLALIM-LMINUHAASA-N 2 2 323.481 2.599 50 0 DFAALP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C[N@H+]1C ZINC000252477810 257258247 /nfs/dbraw/zinc/25/82/47/257258247.db2.gz VUVCCKAZLLALIM-LMINUHAASA-N 2 2 323.481 2.599 50 0 DFAALP OC[C@@H]1CCC[N@H+](CCCNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000670473074 544045978 /nfs/dbraw/zinc/04/59/78/544045978.db2.gz FHKXDAKCMDSIFJ-GFCCVEGCSA-N 2 2 317.355 2.607 50 0 DFAALP OC[C@@H]1CCC[N@@H+](CCCNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000670473074 544045979 /nfs/dbraw/zinc/04/59/79/544045979.db2.gz FHKXDAKCMDSIFJ-GFCCVEGCSA-N 2 2 317.355 2.607 50 0 DFAALP [NH3+]C[C@H]1Cc2cc(-c3ccc(Cn4cc[nH+]c4)cc3)cc(F)c2O1 ZINC000067674423 425912291 /nfs/dbraw/zinc/91/22/91/425912291.db2.gz AYTQWTMCZXAPQZ-QGZVFWFLSA-N 2 2 323.371 3.000 50 0 DFAALP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccnn1C ZINC000067755215 425913110 /nfs/dbraw/zinc/91/31/10/425913110.db2.gz YBSPIXBNCOODNX-KRWDZBQOSA-N 2 2 313.449 2.520 50 0 DFAALP C[C@H](C(=O)Nc1c[nH+]c2n1CCCC2)[N@H+](C)C1CCCCC1 ZINC000067908185 425914641 /nfs/dbraw/zinc/91/46/41/425914641.db2.gz KEQWHQYQVXCSLJ-CYBMUJFWSA-N 2 2 304.438 2.811 50 0 DFAALP C[C@H](C(=O)Nc1c[nH+]c2n1CCCC2)[N@@H+](C)C1CCCCC1 ZINC000067908185 425914642 /nfs/dbraw/zinc/91/46/42/425914642.db2.gz KEQWHQYQVXCSLJ-CYBMUJFWSA-N 2 2 304.438 2.811 50 0 DFAALP c1cc(-c2ccc(C[N@H+]3CCC[C@@H](Cn4cc[nH+]c4)C3)o2)n[nH]1 ZINC000067880874 425914213 /nfs/dbraw/zinc/91/42/13/425914213.db2.gz AGTGVKGMWPJREG-CQSZACIVSA-N 2 2 311.389 2.778 50 0 DFAALP c1cc(-c2ccc(C[N@@H+]3CCC[C@@H](Cn4cc[nH+]c4)C3)o2)n[nH]1 ZINC000067880874 425914214 /nfs/dbraw/zinc/91/42/14/425914214.db2.gz AGTGVKGMWPJREG-CQSZACIVSA-N 2 2 311.389 2.778 50 0 DFAALP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)n1cc[nH+]c1)c1ccsc1 ZINC000048236918 425873736 /nfs/dbraw/zinc/87/37/36/425873736.db2.gz YGXYEUXTYPRQCO-HIFRSBDPSA-N 2 2 320.462 2.705 50 0 DFAALP CCCC(=O)N[C@@H](C[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000069484146 425942280 /nfs/dbraw/zinc/94/22/80/425942280.db2.gz YAZIFHDUXLHMHK-SFHVURJKSA-N 2 2 317.477 2.670 50 0 DFAALP CCCC(=O)N[C@@H](C[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000069484146 425942283 /nfs/dbraw/zinc/94/22/83/425942283.db2.gz YAZIFHDUXLHMHK-SFHVURJKSA-N 2 2 317.477 2.670 50 0 DFAALP Cc1noc([C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000069530208 425945246 /nfs/dbraw/zinc/94/52/46/425945246.db2.gz SWCNLKBBBCBMCM-INIZCTEOSA-N 2 2 323.400 2.943 50 0 DFAALP Cc1noc([C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000069530208 425945249 /nfs/dbraw/zinc/94/52/49/425945249.db2.gz SWCNLKBBBCBMCM-INIZCTEOSA-N 2 2 323.400 2.943 50 0 DFAALP Cc1cccc(NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)[nH+]1 ZINC000069978630 425965420 /nfs/dbraw/zinc/96/54/20/425965420.db2.gz MVJCLNZQTQBEIN-UHFFFAOYSA-N 2 2 305.422 2.608 50 0 DFAALP C[NH+](C)[C@@H]1CCCN(C(=O)c2ccccc2-c2[nH]cc[nH+]2)CC1 ZINC000072149634 426011090 /nfs/dbraw/zinc/01/10/90/426011090.db2.gz NOFUBZQSDZOSNH-CQSZACIVSA-N 2 2 312.417 2.633 50 0 DFAALP O[C@@]1(C[NH+]2CCCC2)CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000077440052 426134790 /nfs/dbraw/zinc/13/47/90/426134790.db2.gz IWROCDDOMYFCHX-MEDHRJKHSA-N 2 2 318.436 2.762 50 0 DFAALP O[C@@]1(C[NH+]2CCCC2)CCC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000077440052 426134793 /nfs/dbraw/zinc/13/47/93/426134793.db2.gz IWROCDDOMYFCHX-MEDHRJKHSA-N 2 2 318.436 2.762 50 0 DFAALP O[C@]1(C[NH+]2CCCCC2)CCN(c2[nH+]ccc3ccccc32)C1 ZINC000077452864 426134870 /nfs/dbraw/zinc/13/48/70/426134870.db2.gz WVDOHHBGHVMYNZ-IBGZPJMESA-N 2 2 311.429 2.662 50 0 DFAALP Cc1cc(F)ccc1C[N@@H+]1CCC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077538132 426139176 /nfs/dbraw/zinc/13/91/76/426139176.db2.gz YJYNFLABSJFIHU-GOSISDBHSA-N 2 2 306.425 2.557 50 0 DFAALP Cc1cc(F)ccc1C[N@H+]1CCC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077538132 426139179 /nfs/dbraw/zinc/13/91/79/426139179.db2.gz YJYNFLABSJFIHU-GOSISDBHSA-N 2 2 306.425 2.557 50 0 DFAALP C[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccc2c(c1)OCO2 ZINC000151481755 426297975 /nfs/dbraw/zinc/29/79/75/426297975.db2.gz FGVWQTBZYDVZBN-CYBMUJFWSA-N 2 2 322.368 2.847 50 0 DFAALP O=C1[C@@H]([NH2+]C[C@@H]2CCCn3cc[nH+]c32)CCCN1c1ccccc1 ZINC000089845617 426312736 /nfs/dbraw/zinc/31/27/36/426312736.db2.gz KDVKUSPLMXADRH-RDJZCZTQSA-N 2 2 324.428 2.546 50 0 DFAALP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H]1c1ccc[nH]1 ZINC000089361390 426287367 /nfs/dbraw/zinc/28/73/67/426287367.db2.gz APISCBGGXRRKCK-PKOBYXMFSA-N 2 2 313.445 2.645 50 0 DFAALP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H]1c1ccc[nH]1 ZINC000089361390 426287370 /nfs/dbraw/zinc/28/73/70/426287370.db2.gz APISCBGGXRRKCK-PKOBYXMFSA-N 2 2 313.445 2.645 50 0 DFAALP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000089361390 426287372 /nfs/dbraw/zinc/28/73/72/426287372.db2.gz APISCBGGXRRKCK-PKOBYXMFSA-N 2 2 313.445 2.645 50 0 DFAALP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000089361390 426287375 /nfs/dbraw/zinc/28/73/75/426287375.db2.gz APISCBGGXRRKCK-PKOBYXMFSA-N 2 2 313.445 2.645 50 0 DFAALP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2cc(C)sc2C)CC1 ZINC000095350316 426367173 /nfs/dbraw/zinc/36/71/73/426367173.db2.gz OBEJDYMXLVUVRL-UONOGXRCSA-N 2 2 323.506 2.568 50 0 DFAALP c1ccc(N2CCC([NH2+]CCc3ccc4c(c3)CCO4)CC2)[nH+]c1 ZINC000095422433 426371977 /nfs/dbraw/zinc/37/19/77/426371977.db2.gz MTJBOLWTGGBSKZ-UHFFFAOYSA-N 2 2 323.440 2.818 50 0 DFAALP COC(=O)c1sccc1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000095981730 426383115 /nfs/dbraw/zinc/38/31/15/426383115.db2.gz LRANPBAGKDBPDV-OCCSQVGLSA-N 2 2 319.430 2.814 50 0 DFAALP COC(=O)c1sccc1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000095981730 426383119 /nfs/dbraw/zinc/38/31/19/426383119.db2.gz LRANPBAGKDBPDV-OCCSQVGLSA-N 2 2 319.430 2.814 50 0 DFAALP Cc1[nH]c(CN2CCC([N@@H+]3CCc4ccccc4C3)CC2)c[nH+]1 ZINC000097259301 426461108 /nfs/dbraw/zinc/46/11/08/426461108.db2.gz MMAUJXWMHMUKII-UHFFFAOYSA-N 2 2 310.445 2.741 50 0 DFAALP Cc1[nH]c(CN2CCC([N@H+]3CCc4ccccc4C3)CC2)c[nH+]1 ZINC000097259301 426461111 /nfs/dbraw/zinc/46/11/11/426461111.db2.gz MMAUJXWMHMUKII-UHFFFAOYSA-N 2 2 310.445 2.741 50 0 DFAALP Cc1[nH]cc(CN2CCC([N@@H+]3CCc4ccccc4C3)CC2)[nH+]1 ZINC000097259301 426461115 /nfs/dbraw/zinc/46/11/15/426461115.db2.gz MMAUJXWMHMUKII-UHFFFAOYSA-N 2 2 310.445 2.741 50 0 DFAALP Cc1[nH]cc(CN2CCC([N@H+]3CCc4ccccc4C3)CC2)[nH+]1 ZINC000097259301 426461118 /nfs/dbraw/zinc/46/11/18/426461118.db2.gz MMAUJXWMHMUKII-UHFFFAOYSA-N 2 2 310.445 2.741 50 0 DFAALP Cc1ccn2c(C[N@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)cnc2c1 ZINC000097377019 426465472 /nfs/dbraw/zinc/46/54/72/426465472.db2.gz QMZIZHWOJQMPQF-INIZCTEOSA-N 2 2 323.444 2.831 50 0 DFAALP Cc1ccn2c(C[N@@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)cnc2c1 ZINC000097377019 426465475 /nfs/dbraw/zinc/46/54/75/426465475.db2.gz QMZIZHWOJQMPQF-INIZCTEOSA-N 2 2 323.444 2.831 50 0 DFAALP C[N@H+](Cc1[nH]nc2c1CCC2)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000215448566 426551924 /nfs/dbraw/zinc/55/19/24/426551924.db2.gz RLUDGZJWAXKTSF-UHFFFAOYSA-N 2 2 307.401 2.716 50 0 DFAALP C[N@@H+](Cc1[nH]nc2c1CCC2)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000215448566 426551930 /nfs/dbraw/zinc/55/19/30/426551930.db2.gz RLUDGZJWAXKTSF-UHFFFAOYSA-N 2 2 307.401 2.716 50 0 DFAALP [NH3+][C@H]1C[C@H](c2cc(NCCCc3[nH]c4ccccc4[nH+]3)ncn2)C1 ZINC000223782802 426589356 /nfs/dbraw/zinc/58/93/56/426589356.db2.gz FUKQRGIXCWATNB-BETUJISGSA-N 2 2 322.416 2.602 50 0 DFAALP C[C@H]1CCCC[N@@H+]1C1CN(Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000243892408 426721336 /nfs/dbraw/zinc/72/13/36/426721336.db2.gz AHWXMRWJFGYYFG-KRWDZBQOSA-N 2 2 324.472 2.990 50 0 DFAALP C[C@H]1CCCC[N@H+]1C1CN(Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000243892408 426721344 /nfs/dbraw/zinc/72/13/44/426721344.db2.gz AHWXMRWJFGYYFG-KRWDZBQOSA-N 2 2 324.472 2.990 50 0 DFAALP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccn(C)c2)C1 ZINC000275727114 426905568 /nfs/dbraw/zinc/90/55/68/426905568.db2.gz OSMWPJQSCPFKON-MRXNPFEDSA-N 2 2 318.490 2.744 50 0 DFAALP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccn(C)c2)C1 ZINC000275727114 426905575 /nfs/dbraw/zinc/90/55/75/426905575.db2.gz OSMWPJQSCPFKON-MRXNPFEDSA-N 2 2 318.490 2.744 50 0 DFAALP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccn(C)c2)C1 ZINC000275727114 426905582 /nfs/dbraw/zinc/90/55/82/426905582.db2.gz OSMWPJQSCPFKON-MRXNPFEDSA-N 2 2 318.490 2.744 50 0 DFAALP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccn(C)c2)C1 ZINC000275727114 426905588 /nfs/dbraw/zinc/90/55/88/426905588.db2.gz OSMWPJQSCPFKON-MRXNPFEDSA-N 2 2 318.490 2.744 50 0 DFAALP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000190447812 427112143 /nfs/dbraw/zinc/11/21/43/427112143.db2.gz OBVCXHDMCYGTMB-INIZCTEOSA-N 2 2 323.444 2.707 50 0 DFAALP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000190447812 427112152 /nfs/dbraw/zinc/11/21/52/427112152.db2.gz OBVCXHDMCYGTMB-INIZCTEOSA-N 2 2 323.444 2.707 50 0 DFAALP Cc1cccn2cc(CC[NH2+][C@@H]3[C@H]4CCCO[C@H]4C3(C)C)[nH+]c12 ZINC000252512541 427185736 /nfs/dbraw/zinc/18/57/36/427185736.db2.gz SAIPLCBEXLQQNO-BRWVUGGUSA-N 2 2 313.445 2.978 50 0 DFAALP Cc1cc(NCc2[nH]cc[nH+]2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000191680167 427403685 /nfs/dbraw/zinc/40/36/85/427403685.db2.gz PVXFJJCMHOWARN-UHFFFAOYSA-N 2 2 313.449 2.861 50 0 DFAALP Cc1cc(N2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)nc(N)[nH+]1 ZINC000019656925 274705367 /nfs/dbraw/zinc/70/53/67/274705367.db2.gz OICUUZGKHHVJMM-CYBMUJFWSA-N 2 2 322.416 2.703 50 0 DFAALP Fc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc3c[nH]nc3c2)cc1 ZINC000685940014 546412336 /nfs/dbraw/zinc/41/23/36/546412336.db2.gz KIYDVBLDCKDQPF-PKOBYXMFSA-N 2 2 324.403 2.937 50 0 DFAALP C[N@@H+]1CC[C@H](C[NH2+]Cc2ncc[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095447471 185367767 /nfs/dbraw/zinc/36/77/67/185367767.db2.gz KBCDEQNUCVVROQ-WBMJQRKESA-N 2 2 322.815 2.985 50 0 DFAALP C[N@H+]1CC[C@H](C[NH2+]Cc2ncc[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095447471 185367768 /nfs/dbraw/zinc/36/77/68/185367768.db2.gz KBCDEQNUCVVROQ-WBMJQRKESA-N 2 2 322.815 2.985 50 0 DFAALP C[C@@H](CCn1cccn1)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC000584891015 398428363 /nfs/dbraw/zinc/42/83/63/398428363.db2.gz YKQDLGKUZPAKFH-HNNXBMFYSA-N 2 2 300.406 2.600 50 0 DFAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000584904058 398431370 /nfs/dbraw/zinc/43/13/70/398431370.db2.gz ZOHJHGDKICFXMO-KRWDZBQOSA-N 3 2 312.461 2.525 50 0 DFAALP COc1ccc(F)c(C[N@@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)c1 ZINC000072125437 191042193 /nfs/dbraw/zinc/04/21/93/191042193.db2.gz WRQBQCAYDCYSIA-CQSZACIVSA-N 2 2 303.381 2.943 50 0 DFAALP COc1ccc(F)c(C[N@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)c1 ZINC000072125437 191042195 /nfs/dbraw/zinc/04/21/95/191042195.db2.gz WRQBQCAYDCYSIA-CQSZACIVSA-N 2 2 303.381 2.943 50 0 DFAALP C[N@H+](Cc1cc2n(n1)CC[NH2+]C2)Cc1cccc(C(F)(F)F)c1 ZINC000072144436 191051594 /nfs/dbraw/zinc/05/15/94/191051594.db2.gz VSYRKOBGQRVZCQ-UHFFFAOYSA-N 2 2 324.350 2.637 50 0 DFAALP C[N@@H+](Cc1cc2n(n1)CC[NH2+]C2)Cc1cccc(C(F)(F)F)c1 ZINC000072144436 191051597 /nfs/dbraw/zinc/05/15/97/191051597.db2.gz VSYRKOBGQRVZCQ-UHFFFAOYSA-N 2 2 324.350 2.637 50 0 DFAALP Cc1ccc[nH+]c1N1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000072149265 191054834 /nfs/dbraw/zinc/05/48/34/191054834.db2.gz PQOCXEYNPJACPD-UHFFFAOYSA-N 2 2 323.400 2.695 50 0 DFAALP c1ccc(N2CCC([NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)CC2)[nH+]c1 ZINC000253369545 186301027 /nfs/dbraw/zinc/30/10/27/186301027.db2.gz DWTFPNBKRIIDIQ-CGTJXYLNSA-N 2 2 313.445 2.598 50 0 DFAALP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccnc3)C2)nc1 ZINC000097228133 398666251 /nfs/dbraw/zinc/66/62/51/398666251.db2.gz CBFWVYBAUWKHCG-SFHVURJKSA-N 2 2 310.445 2.787 50 0 DFAALP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)nc1 ZINC000097228133 398666256 /nfs/dbraw/zinc/66/62/56/398666256.db2.gz CBFWVYBAUWKHCG-SFHVURJKSA-N 2 2 310.445 2.787 50 0 DFAALP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CCCSC2)[nH+]1 ZINC000097370911 398667167 /nfs/dbraw/zinc/66/71/67/398667167.db2.gz DQBGANIXSJPHJD-INIZCTEOSA-N 2 2 301.459 2.959 50 0 DFAALP OC[C@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@H]1C[NH+]1CCCCC1 ZINC000091872101 193121127 /nfs/dbraw/zinc/12/11/27/193121127.db2.gz KGVNZRVPEHCZER-IAGOWNOFSA-N 2 2 322.880 2.866 50 0 DFAALP OC[C@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@H]1C[NH+]1CCCCC1 ZINC000091872101 193121129 /nfs/dbraw/zinc/12/11/29/193121129.db2.gz KGVNZRVPEHCZER-IAGOWNOFSA-N 2 2 322.880 2.866 50 0 DFAALP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(=O)c2cccc(F)c2[nH]1 ZINC000091987972 193136829 /nfs/dbraw/zinc/13/68/29/193136829.db2.gz RXVQFQZJFFDKAT-ZDUSSCGKSA-N 2 2 303.381 2.653 50 0 DFAALP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(=O)c2cccc(F)c2[nH]1 ZINC000091987972 193136831 /nfs/dbraw/zinc/13/68/31/193136831.db2.gz RXVQFQZJFFDKAT-ZDUSSCGKSA-N 2 2 303.381 2.653 50 0 DFAALP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000093770336 193303537 /nfs/dbraw/zinc/30/35/37/193303537.db2.gz AHKPVBFHMRWYTD-CQSZACIVSA-N 2 2 316.424 2.989 50 0 DFAALP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000093770336 193303539 /nfs/dbraw/zinc/30/35/39/193303539.db2.gz AHKPVBFHMRWYTD-CQSZACIVSA-N 2 2 316.424 2.989 50 0 DFAALP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000093770336 193303540 /nfs/dbraw/zinc/30/35/40/193303540.db2.gz AHKPVBFHMRWYTD-CQSZACIVSA-N 2 2 316.424 2.989 50 0 DFAALP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000093770336 193303542 /nfs/dbraw/zinc/30/35/42/193303542.db2.gz AHKPVBFHMRWYTD-CQSZACIVSA-N 2 2 316.424 2.989 50 0 DFAALP c1cn(CCOc2cccc(C[NH2+][C@@H]3CCCSC3)c2)c[nH+]1 ZINC000097212882 193691995 /nfs/dbraw/zinc/69/19/95/193691995.db2.gz YMDASCXTKPOGDI-MRXNPFEDSA-N 2 2 317.458 2.947 50 0 DFAALP COc1cccc(C[NH+]2CCC([NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000019889876 182161069 /nfs/dbraw/zinc/16/10/69/182161069.db2.gz VKOHRYRBRDSBHI-HZPDHXFCSA-N 2 2 318.461 2.769 50 0 DFAALP [NH2+]=C(NCc1ccccc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000058185214 184086145 /nfs/dbraw/zinc/08/61/45/184086145.db2.gz DMURWQLJDNRKGC-UHFFFAOYSA-N 2 2 305.385 2.686 50 0 DFAALP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000065428703 184343626 /nfs/dbraw/zinc/34/36/26/184343626.db2.gz XXAHCGQFFUTVLT-AEFFLSMTSA-N 2 2 310.445 2.815 50 0 DFAALP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000065428703 184343628 /nfs/dbraw/zinc/34/36/28/184343628.db2.gz XXAHCGQFFUTVLT-AEFFLSMTSA-N 2 2 310.445 2.815 50 0 DFAALP CCCc1nc(NC2CC[NH+](C3CCOCC3)CC2)cc(C)[nH+]1 ZINC000065451259 184346503 /nfs/dbraw/zinc/34/65/03/184346503.db2.gz UAXLDAJMPTXRIX-UHFFFAOYSA-N 2 2 318.465 2.793 50 0 DFAALP CC[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1[nH]cc(C)[nH+]1 ZINC000426621628 257245506 /nfs/dbraw/zinc/24/55/06/257245506.db2.gz KNJLBOIVQBPPGZ-HNNXBMFYSA-N 2 2 300.406 2.661 50 0 DFAALP Cc1[nH+]c(CNC(=O)CC2CC(C)(C)[NH2+]C(C)(C)C2)n(C)c1C ZINC000426479000 257249151 /nfs/dbraw/zinc/24/91/51/257249151.db2.gz QZTNAODZLOKSED-UHFFFAOYSA-N 2 2 320.481 2.600 50 0 DFAALP CCc1nnc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000096500908 542557402 /nfs/dbraw/zinc/55/74/02/542557402.db2.gz GTDZFGREFITWSQ-GFCCVEGCSA-N 2 2 311.389 2.977 50 0 DFAALP Cc1cccn2cc(CC[NH2+][C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)[nH+]c12 ZINC000170065588 542756471 /nfs/dbraw/zinc/75/64/71/542756471.db2.gz SAIPLCBEXLQQNO-ZACQAIPSSA-N 2 2 313.445 2.978 50 0 DFAALP c1cc(C[NH+]2CCCCCC2)cc(OCC[NH+]2CCOCC2)c1 ZINC000222877680 542884297 /nfs/dbraw/zinc/88/42/97/542884297.db2.gz PCUGVLHAZAAADB-UHFFFAOYSA-N 2 2 318.461 2.774 50 0 DFAALP C[NH2+][C@H]1CCCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000132910677 196295412 /nfs/dbraw/zinc/29/54/12/196295412.db2.gz ABYPRJQYLBLSDF-HNNXBMFYSA-N 2 2 311.385 2.698 50 0 DFAALP Cc1cc(C)c(CNc2cc([C@H]3CCC[NH2+]C3)nc(C)n2)c[nH+]1 ZINC000067654705 425912006 /nfs/dbraw/zinc/91/20/06/425912006.db2.gz LUEUNIFPYILNIM-HNNXBMFYSA-N 2 2 311.433 2.876 50 0 DFAALP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2c[nH]c3ccccc23)C1 ZINC000009834684 425694194 /nfs/dbraw/zinc/69/41/94/425694194.db2.gz HEKBTSGWQKTNBA-INIZCTEOSA-N 2 2 301.434 2.614 50 0 DFAALP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2c[nH]c3ccccc23)C1 ZINC000009834684 425694198 /nfs/dbraw/zinc/69/41/98/425694198.db2.gz HEKBTSGWQKTNBA-INIZCTEOSA-N 2 2 301.434 2.614 50 0 DFAALP c1cc(C[NH2+]C2CC[NH+](CCc3ccncc3)CC2)cs1 ZINC000071792600 425988023 /nfs/dbraw/zinc/98/80/23/425988023.db2.gz RWJKZDBILJHYND-UHFFFAOYSA-N 2 2 301.459 2.940 50 0 DFAALP O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000071837231 425994253 /nfs/dbraw/zinc/99/42/53/425994253.db2.gz LJRMENWWPVCNAY-KRWDZBQOSA-N 2 2 320.396 2.728 50 0 DFAALP COC(=O)c1sccc1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000108367579 426013934 /nfs/dbraw/zinc/01/39/34/426013934.db2.gz LRANPBAGKDBPDV-GXTWGEPZSA-N 2 2 319.430 2.814 50 0 DFAALP COC(=O)c1sccc1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000108367579 426013938 /nfs/dbraw/zinc/01/39/38/426013938.db2.gz LRANPBAGKDBPDV-GXTWGEPZSA-N 2 2 319.430 2.814 50 0 DFAALP CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc2c(c1)OCCO2 ZINC000089947848 426320520 /nfs/dbraw/zinc/32/05/20/426320520.db2.gz UFLCOPGXMSXBFM-HNNXBMFYSA-N 2 2 301.390 2.785 50 0 DFAALP C[C@H](O)c1cccc(N2CCC(C[NH+]3CCCCC3)CC2)[nH+]1 ZINC000096130986 426400865 /nfs/dbraw/zinc/40/08/65/426400865.db2.gz LXNBRFHQPYEBGA-HNNXBMFYSA-N 2 2 303.450 2.837 50 0 DFAALP CC(C)OC(=O)N1CCC(c2[nH+]ccn2CCC[NH+](C)C)CC1 ZINC000095386555 426371193 /nfs/dbraw/zinc/37/11/93/426371193.db2.gz PXFSEYDURIZSCX-UHFFFAOYSA-N 2 2 322.453 2.559 50 0 DFAALP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000096436185 426424416 /nfs/dbraw/zinc/42/44/16/426424416.db2.gz VLXURFJWBFRXAL-UHFFFAOYSA-N 2 2 323.400 2.587 50 0 DFAALP COc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000097053167 426444076 /nfs/dbraw/zinc/44/40/76/426444076.db2.gz JUGNYOLXLIDYSW-PWSUYJOCSA-N 2 2 313.239 2.627 50 0 DFAALP COc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000097053167 426444079 /nfs/dbraw/zinc/44/40/79/426444079.db2.gz JUGNYOLXLIDYSW-PWSUYJOCSA-N 2 2 313.239 2.627 50 0 DFAALP c1ccc(COc2ccc(C[N@@H+]3C[C@@H]4CC[C@H]3C[NH2+]C4)cc2)nc1 ZINC000097744714 426473243 /nfs/dbraw/zinc/47/32/43/426473243.db2.gz LPGYBLUSWVXXSO-MJGOQNOKSA-N 2 2 323.440 2.844 50 0 DFAALP c1ccc(COc2ccc(C[N@H+]3C[C@@H]4CC[C@H]3C[NH2+]C4)cc2)nc1 ZINC000097744714 426473245 /nfs/dbraw/zinc/47/32/45/426473245.db2.gz LPGYBLUSWVXXSO-MJGOQNOKSA-N 2 2 323.440 2.844 50 0 DFAALP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000225442415 426600827 /nfs/dbraw/zinc/60/08/27/426600827.db2.gz KYWLNNMILKKCCU-YJBOKZPZSA-N 2 2 317.477 2.992 50 0 DFAALP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000225442415 426600833 /nfs/dbraw/zinc/60/08/33/426600833.db2.gz KYWLNNMILKKCCU-YJBOKZPZSA-N 2 2 317.477 2.992 50 0 DFAALP Cc1[nH+]ccn1CC1CC[NH+](Cc2nnc(C(C)C)o2)CC1 ZINC000252507836 427183156 /nfs/dbraw/zinc/18/31/56/427183156.db2.gz WUOLXDUTFPFJIV-UHFFFAOYSA-N 2 2 303.410 2.610 50 0 DFAALP Cc1ccc2c(c1)[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@@H](C)C2 ZINC000180543676 274777171 /nfs/dbraw/zinc/77/71/71/274777171.db2.gz DACUVMXRDZIFPW-MAUKXSAKSA-N 2 2 302.462 2.929 50 0 DFAALP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnc3cc(C)ccn13)CCC2 ZINC000095402056 274824019 /nfs/dbraw/zinc/82/40/19/274824019.db2.gz LIXKVMXBRAYPOL-OAHLLOKOSA-N 2 2 309.417 2.815 50 0 DFAALP CCc1nc(NCCn2c[nH+]cc2-c2ccccc2)cc(C)[nH+]1 ZINC000585139163 430481897 /nfs/dbraw/zinc/48/18/97/430481897.db2.gz ADJPSEMMOKCHSQ-UHFFFAOYSA-N 2 2 307.401 3.323 50 0 DFAALP COc1cc(C)[nH+]c(CN2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000089587400 277809795 /nfs/dbraw/zinc/80/97/95/277809795.db2.gz NFKJUTMZMVYUTF-UHFFFAOYSA-N 2 2 314.433 2.814 50 0 DFAALP Cn1c2c([nH+]c1[C@H]1CCCN1CC[NH+]1CCCCC1)CCCC2 ZINC000328626647 294177129 /nfs/dbraw/zinc/17/71/29/294177129.db2.gz FHXPFMWNWJHEFL-GOSISDBHSA-N 2 2 316.493 2.922 50 0 DFAALP Fc1ccc(N2CC[C@H]([NH2+]CC3(Cn4cc[nH+]c4)CC3)C2)cc1 ZINC000534664770 334318460 /nfs/dbraw/zinc/31/84/60/334318460.db2.gz VAIIJGXJZMTSML-INIZCTEOSA-N 2 2 314.408 2.671 50 0 DFAALP CC(C)[C@H](C)C(=O)Nc1ncc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)s1 ZINC000725271483 546414336 /nfs/dbraw/zinc/41/43/36/546414336.db2.gz GNJLZCSDVFCNEN-MBNYWOFBSA-N 2 2 324.494 2.543 50 0 DFAALP CC(C)[C@H](C)C(=O)Nc1ncc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)s1 ZINC000725271483 546414339 /nfs/dbraw/zinc/41/43/39/546414339.db2.gz GNJLZCSDVFCNEN-MBNYWOFBSA-N 2 2 324.494 2.543 50 0 DFAALP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCc3[nH+]c(C)cn3C2)C12CCCC2 ZINC000252486587 398419083 /nfs/dbraw/zinc/41/90/83/398419083.db2.gz LZGUFXHAHGLLLM-ARFHVFGLSA-N 2 2 303.450 2.834 50 0 DFAALP C[C@H](Cn1cc[nH+]c1)[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000584904059 398431450 /nfs/dbraw/zinc/43/14/50/398431450.db2.gz ZOHJHGDKICFXMO-QGZVFWFLSA-N 3 2 312.461 2.525 50 0 DFAALP CC(C)c1noc([C@H](C)[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)n1 ZINC000328630999 398567280 /nfs/dbraw/zinc/56/72/80/398567280.db2.gz KAPLXANFTZFSRG-QWHCGFSZSA-N 2 2 303.410 2.645 50 0 DFAALP CC(C)c1noc([C@H](C)[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)n1 ZINC000328630999 398567285 /nfs/dbraw/zinc/56/72/85/398567285.db2.gz KAPLXANFTZFSRG-QWHCGFSZSA-N 2 2 303.410 2.645 50 0 DFAALP c1cncc(C[N@H+](Cc2ccc3c(c2)CCO3)C[C@H]2CC[NH2+]C2)c1 ZINC000328629660 398567799 /nfs/dbraw/zinc/56/77/99/398567799.db2.gz ILKZTSIDCGDESN-SFHVURJKSA-N 2 2 323.440 2.628 50 0 DFAALP c1cncc(C[N@@H+](Cc2ccc3c(c2)CCO3)C[C@H]2CC[NH2+]C2)c1 ZINC000328629660 398567802 /nfs/dbraw/zinc/56/78/02/398567802.db2.gz ILKZTSIDCGDESN-SFHVURJKSA-N 2 2 323.440 2.628 50 0 DFAALP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000225604154 186282355 /nfs/dbraw/zinc/28/23/55/186282355.db2.gz IRBIDUFRAOKIIE-CQSZACIVSA-N 2 2 302.447 2.805 50 0 DFAALP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000225604154 186282357 /nfs/dbraw/zinc/28/23/57/186282357.db2.gz IRBIDUFRAOKIIE-CQSZACIVSA-N 2 2 302.447 2.805 50 0 DFAALP c1cn(-c2ccc(C[NH+]3CCN(c4ccccc4)CC3)cn2)c[nH+]1 ZINC000072312029 191119985 /nfs/dbraw/zinc/11/99/85/191119985.db2.gz DHEQYMWTUZCQOF-UHFFFAOYSA-N 2 2 319.412 2.590 50 0 DFAALP OC[C@@H]1CCCCC[C@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000097236284 398666943 /nfs/dbraw/zinc/66/69/43/398666943.db2.gz KEDSNRCFWQDXGS-DZGCQCFKSA-N 2 2 322.415 2.934 50 0 DFAALP c1cn(CCN2CC[NH+](Cc3ccccc3)CC2)c(C2CC2)[nH+]1 ZINC000072447201 191168488 /nfs/dbraw/zinc/16/84/88/191168488.db2.gz NCVINSHQIZNVCS-UHFFFAOYSA-N 2 2 310.445 2.578 50 0 DFAALP CN(C)c1cc(NC(=O)C[NH2+]C(C)(C)C)c2ccccc2[nH+]1 ZINC000004575807 181126166 /nfs/dbraw/zinc/12/61/66/181126166.db2.gz IKSMZMPUSVQPES-UHFFFAOYSA-N 2 2 300.406 2.627 50 0 DFAALP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2cccc3[nH]ccc32)CCO1 ZINC000275537941 212402432 /nfs/dbraw/zinc/40/24/32/212402432.db2.gz MKAOGKZWGLLHQG-KDOFPFPSSA-N 2 2 310.401 2.911 50 0 DFAALP COc1cc[nH+]c(CN2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)c1 ZINC000091350851 193044859 /nfs/dbraw/zinc/04/48/59/193044859.db2.gz CDQPULWVWBDBFI-FUHWJXTLSA-N 2 2 315.461 2.787 50 0 DFAALP COc1cc[nH+]c(CN2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)c1 ZINC000091350851 193044862 /nfs/dbraw/zinc/04/48/62/193044862.db2.gz CDQPULWVWBDBFI-FUHWJXTLSA-N 2 2 315.461 2.787 50 0 DFAALP Fc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2[nH]cc[nH+]2)C3)cc1 ZINC000092066208 193151227 /nfs/dbraw/zinc/15/12/27/193151227.db2.gz BCIZXWNGLWPONG-DOTOQJQBSA-N 2 2 314.408 2.645 50 0 DFAALP Fc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(Cc2[nH]cc[nH+]2)C3)cc1 ZINC000092066208 193151228 /nfs/dbraw/zinc/15/12/28/193151228.db2.gz BCIZXWNGLWPONG-DOTOQJQBSA-N 2 2 314.408 2.645 50 0 DFAALP COc1ccc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1O ZINC000042228164 183244905 /nfs/dbraw/zinc/24/49/05/183244905.db2.gz LMULKLPBRVWIHJ-UHFFFAOYSA-N 2 2 323.396 2.935 50 0 DFAALP Cc1nn(C)c(Oc2ccccc2)c1C[NH2+]CCn1cc[nH+]c1 ZINC000058316972 184104694 /nfs/dbraw/zinc/10/46/94/184104694.db2.gz QTWPDWSNSPSTNH-UHFFFAOYSA-N 2 2 311.389 2.507 50 0 DFAALP CCCC(=O)N[C@H](C[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000064421727 184296732 /nfs/dbraw/zinc/29/67/32/184296732.db2.gz YAZIFHDUXLHMHK-GOSISDBHSA-N 2 2 317.477 2.670 50 0 DFAALP CCCC(=O)N[C@H](C[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000064421727 184296733 /nfs/dbraw/zinc/29/67/33/184296733.db2.gz YAZIFHDUXLHMHK-GOSISDBHSA-N 2 2 317.477 2.670 50 0 DFAALP Cc1ccc(NC(=O)[C@H](C)[NH2+]Cc2c[nH+]cn2CC(C)C)cc1 ZINC000065408659 184339223 /nfs/dbraw/zinc/33/92/23/184339223.db2.gz MHPZXXORAPHQPS-HNNXBMFYSA-N 2 2 314.433 2.964 50 0 DFAALP C[N@@H+]1CCC[C@@H]1CCNC(=O)Nc1cccc(-c2c[nH]c[nH+]2)c1 ZINC000426700121 257244262 /nfs/dbraw/zinc/24/42/62/257244262.db2.gz XPOACDRXAUPKNL-OAHLLOKOSA-N 2 2 313.405 2.683 50 0 DFAALP C[N@H+]1CCC[C@@H]1CCNC(=O)Nc1cccc(-c2c[nH]c[nH+]2)c1 ZINC000426700121 257244264 /nfs/dbraw/zinc/24/42/64/257244264.db2.gz XPOACDRXAUPKNL-OAHLLOKOSA-N 2 2 313.405 2.683 50 0 DFAALP C[NH+](C)C[C@]1(CO)CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000216104738 542875523 /nfs/dbraw/zinc/87/55/23/542875523.db2.gz HWXIPISXONOAAA-GOSISDBHSA-N 2 2 302.418 2.569 50 0 DFAALP C[NH+](C)C[C@]1(CO)CCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000216104738 542875527 /nfs/dbraw/zinc/87/55/27/542875527.db2.gz HWXIPISXONOAAA-GOSISDBHSA-N 2 2 302.418 2.569 50 0 DFAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000053945896 425888955 /nfs/dbraw/zinc/88/89/55/425888955.db2.gz CJAWTKPDIRAQEQ-MRXNPFEDSA-N 2 2 314.433 2.659 50 0 DFAALP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000053945896 425888956 /nfs/dbraw/zinc/88/89/56/425888956.db2.gz CJAWTKPDIRAQEQ-MRXNPFEDSA-N 2 2 314.433 2.659 50 0 DFAALP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccnn1C ZINC000067755216 425913105 /nfs/dbraw/zinc/91/31/05/425913105.db2.gz YBSPIXBNCOODNX-QGZVFWFLSA-N 2 2 313.449 2.520 50 0 DFAALP CCC[NH+]1CCC([NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000000279851 425551695 /nfs/dbraw/zinc/55/16/95/425551695.db2.gz BKBXULSSBMLYIY-UHFFFAOYSA-N 2 2 305.441 2.822 50 0 DFAALP FC(F)(F)c1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1 ZINC000006883197 425631259 /nfs/dbraw/zinc/63/12/59/425631259.db2.gz XFQZDUKRXVUIRZ-UHFFFAOYSA-N 2 2 302.340 2.517 50 0 DFAALP Cc1cc(N2CCC[C@H](c3[nH]c4ccccc4[nH+]3)C2)nc(N)[nH+]1 ZINC000040490476 425851285 /nfs/dbraw/zinc/85/12/85/425851285.db2.gz WFEFZWNJHOSOAP-LBPRGKRZSA-N 2 2 308.389 2.628 50 0 DFAALP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCn1cc[nH+]c1 ZINC000048326063 425874546 /nfs/dbraw/zinc/87/45/46/425874546.db2.gz FHFGXVURLYYAEB-UHFFFAOYSA-N 2 2 313.380 2.615 50 0 DFAALP CCOc1ccc(C[N@@H+]2CCC[C@](O)(C[NH+]3CCCC3)C2)cc1 ZINC000077286868 426126124 /nfs/dbraw/zinc/12/61/24/426126124.db2.gz OLIYQOWZCGDMRG-IBGZPJMESA-N 2 2 318.461 2.508 50 0 DFAALP CCOc1ccc(C[N@H+]2CCC[C@](O)(C[NH+]3CCCC3)C2)cc1 ZINC000077286868 426126128 /nfs/dbraw/zinc/12/61/28/426126128.db2.gz OLIYQOWZCGDMRG-IBGZPJMESA-N 2 2 318.461 2.508 50 0 DFAALP Cc1cc(F)ccc1C[N@@H+]1CCC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077538129 426139285 /nfs/dbraw/zinc/13/92/85/426139285.db2.gz YJYNFLABSJFIHU-SFHVURJKSA-N 2 2 306.425 2.557 50 0 DFAALP Cc1cc(F)ccc1C[N@H+]1CCC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077538129 426139288 /nfs/dbraw/zinc/13/92/88/426139288.db2.gz YJYNFLABSJFIHU-SFHVURJKSA-N 2 2 306.425 2.557 50 0 DFAALP Cc1ccc(NC[C@@H]2CC[N@H+](Cc3nnc(C4CC4)o3)C2)[nH+]c1 ZINC000097200531 426458183 /nfs/dbraw/zinc/45/81/83/426458183.db2.gz SQKYKRBRQCHUPW-ZDUSSCGKSA-N 2 2 313.405 2.584 50 0 DFAALP Cc1ccc(NC[C@@H]2CC[N@@H+](Cc3nnc(C4CC4)o3)C2)[nH+]c1 ZINC000097200531 426458184 /nfs/dbraw/zinc/45/81/84/426458184.db2.gz SQKYKRBRQCHUPW-ZDUSSCGKSA-N 2 2 313.405 2.584 50 0 DFAALP c1[nH]nc(-c2ccccc2)c1C[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000097731800 426473258 /nfs/dbraw/zinc/47/32/58/426473258.db2.gz NRTYGFUINGOWHQ-UHFFFAOYSA-N 2 2 321.428 2.942 50 0 DFAALP CC[N@H+]1CC[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000124177566 426473489 /nfs/dbraw/zinc/47/34/89/426473489.db2.gz YMDGUXUPAUXURQ-LJQANCHMSA-N 3 2 315.505 2.625 50 0 DFAALP Nc1nc(NCCCCc2ccccc2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000223044184 426586208 /nfs/dbraw/zinc/58/62/08/426586208.db2.gz SEOKLONHINDRQS-UHFFFAOYSA-N 2 2 311.433 2.698 50 0 DFAALP CCn1ccc(C[N@@H+]2CCCC[C@@H]2CCn2cc[nH+]c2C)n1 ZINC000244763928 426726861 /nfs/dbraw/zinc/72/68/61/426726861.db2.gz OYBRMAHNYBDGEV-QGZVFWFLSA-N 2 2 301.438 2.853 50 0 DFAALP CCn1ccc(C[N@H+]2CCCC[C@@H]2CCn2cc[nH+]c2C)n1 ZINC000244763928 426726868 /nfs/dbraw/zinc/72/68/68/426726868.db2.gz OYBRMAHNYBDGEV-QGZVFWFLSA-N 2 2 301.438 2.853 50 0 DFAALP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCO[C@H]2CCCCO2)C1 ZINC000248845890 427051488 /nfs/dbraw/zinc/05/14/88/427051488.db2.gz UDVQRNQODPHGKR-RDJZCZTQSA-N 2 2 307.438 2.626 50 0 DFAALP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCO[C@H]2CCCCO2)C1 ZINC000248845890 427051494 /nfs/dbraw/zinc/05/14/94/427051494.db2.gz UDVQRNQODPHGKR-RDJZCZTQSA-N 2 2 307.438 2.626 50 0 DFAALP CC(C)(C)n1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)nn1 ZINC000252500243 427183101 /nfs/dbraw/zinc/18/31/01/427183101.db2.gz SPZQSUAOULCESG-UHFFFAOYSA-N 2 2 305.470 2.530 50 0 DFAALP c1cn(CC2(C[NH2+]C3CCC4(CC[NH2+]CC4)CC3)CC2)c[nH+]1 ZINC000067964833 304859618 /nfs/dbraw/zinc/85/96/18/304859618.db2.gz HAFAUPAGQFTVHU-UHFFFAOYSA-N 3 2 302.466 2.565 50 0 DFAALP Cc1cc(N2CC[NH+](CC[C@@H]3CCCO3)CC2)nc(C(C)C)[nH+]1 ZINC000188693594 323218938 /nfs/dbraw/zinc/21/89/38/323218938.db2.gz UQGWTGKOBUWHHT-INIZCTEOSA-N 2 2 318.465 2.600 50 0 DFAALP Cc1cc(Cl)cc2c(NC[C@@H]3C[N@H+](C)CCO3)cc[nH+]c12 ZINC000534651150 334311980 /nfs/dbraw/zinc/31/19/80/334311980.db2.gz OQLZQDHEBHPWQW-CYBMUJFWSA-N 2 2 305.809 2.939 50 0 DFAALP Cc1cc(Cl)cc2c(NC[C@@H]3C[N@@H+](C)CCO3)cc[nH+]c12 ZINC000534651150 334311983 /nfs/dbraw/zinc/31/19/83/334311983.db2.gz OQLZQDHEBHPWQW-CYBMUJFWSA-N 2 2 305.809 2.939 50 0 DFAALP c1cc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)n(CC2CC2)n1 ZINC000685940197 546412037 /nfs/dbraw/zinc/41/20/37/546412037.db2.gz VLQUZNSFLVDPFS-UHFFFAOYSA-N 2 2 308.389 2.545 50 0 DFAALP CCC[C@H](C)C(=O)Nc1ncc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000725272721 546414231 /nfs/dbraw/zinc/41/42/31/546414231.db2.gz UHQHIWVJGCUIDZ-OBJOEFQTSA-N 2 2 324.494 2.687 50 0 DFAALP CCC[C@H](C)C(=O)Nc1ncc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000725272721 546414235 /nfs/dbraw/zinc/41/42/35/546414235.db2.gz UHQHIWVJGCUIDZ-OBJOEFQTSA-N 2 2 324.494 2.687 50 0 DFAALP CC(C)CC(=O)N1CCC[C@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095508401 185375913 /nfs/dbraw/zinc/37/59/13/185375913.db2.gz AASSCEKKIRRESX-INIZCTEOSA-N 2 2 320.481 2.587 50 0 DFAALP Cc1nc(CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cs1 ZINC000328595188 231235653 /nfs/dbraw/zinc/23/56/53/231235653.db2.gz NPFUPCGXJUSFBZ-UHFFFAOYSA-N 2 2 316.474 2.643 50 0 DFAALP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cnn3ccccc23)[C@@H]1c1cccnc1 ZINC000328654389 529794237 /nfs/dbraw/zinc/79/42/37/529794237.db2.gz XIXSBMBOYFJALA-LPHOPBHVSA-N 2 2 321.428 2.512 50 0 DFAALP C[N@H+]1CC[C@@H](C[NH2+]Cc2cnn3ccccc23)[C@@H]1c1cccnc1 ZINC000328654389 529794238 /nfs/dbraw/zinc/79/42/38/529794238.db2.gz XIXSBMBOYFJALA-LPHOPBHVSA-N 2 2 321.428 2.512 50 0 DFAALP Cc1[nH+]ccn1C[C@@H](C)[NH2+]CCc1nc2ccc(Cl)cc2[nH]1 ZINC000584886874 398426312 /nfs/dbraw/zinc/42/63/12/398426312.db2.gz CMOLTXQENVKZRM-LLVKDONJSA-N 2 2 317.824 2.942 50 0 DFAALP CC(C)(C)c1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(CO)o1)CCC2 ZINC000089725143 398464535 /nfs/dbraw/zinc/46/45/35/398464535.db2.gz NJAGZIDCSGYCLF-CYBMUJFWSA-N 2 2 317.433 2.933 50 0 DFAALP Cn1nccc1[C@H]1[C@H](CNc2cccc[nH+]2)CCC[N@H+]1C1CC1 ZINC000284984389 398466144 /nfs/dbraw/zinc/46/61/44/398466144.db2.gz SMZSTUDKIOUGFN-KBXCAEBGSA-N 2 2 311.433 2.843 50 0 DFAALP Cn1nccc1[C@H]1[C@H](CNc2cccc[nH+]2)CCC[N@@H+]1C1CC1 ZINC000284984389 398466142 /nfs/dbraw/zinc/46/61/42/398466142.db2.gz SMZSTUDKIOUGFN-KBXCAEBGSA-N 2 2 311.433 2.843 50 0 DFAALP CC(C)c1noc([C@@H](C)[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC000328630998 398567733 /nfs/dbraw/zinc/56/77/33/398567733.db2.gz KAPLXANFTZFSRG-OLZOCXBDSA-N 2 2 303.410 2.645 50 0 DFAALP CC(C)c1noc([C@@H](C)[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC000328630998 398567736 /nfs/dbraw/zinc/56/77/36/398567736.db2.gz KAPLXANFTZFSRG-OLZOCXBDSA-N 2 2 303.410 2.645 50 0 DFAALP Cc1cccn2c(C[N@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)cnc12 ZINC000097377015 398667936 /nfs/dbraw/zinc/66/79/36/398667936.db2.gz RIMPFKKIGVPAPJ-INIZCTEOSA-N 2 2 323.444 2.831 50 0 DFAALP Cc1cccn2c(C[N@@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)cnc12 ZINC000097377015 398667938 /nfs/dbraw/zinc/66/79/38/398667938.db2.gz RIMPFKKIGVPAPJ-INIZCTEOSA-N 2 2 323.444 2.831 50 0 DFAALP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275535987 212399541 /nfs/dbraw/zinc/39/95/41/212399541.db2.gz MFVQNOPFLORESD-NZSAHSFTSA-N 3 2 324.472 2.556 50 0 DFAALP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275535987 212399543 /nfs/dbraw/zinc/39/95/43/212399543.db2.gz MFVQNOPFLORESD-NZSAHSFTSA-N 3 2 324.472 2.556 50 0 DFAALP c1cc2c(c(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)c1)OCO2 ZINC000093683506 193288125 /nfs/dbraw/zinc/28/81/25/193288125.db2.gz PTOARQZVARYBGL-HNNXBMFYSA-N 2 2 302.418 2.723 50 0 DFAALP c1cc2c(c(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)c1)OCO2 ZINC000093683506 193288127 /nfs/dbraw/zinc/28/81/27/193288127.db2.gz PTOARQZVARYBGL-HNNXBMFYSA-N 2 2 302.418 2.723 50 0 DFAALP C[C@H]([NH2+]CCCc1cnn(C)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095967628 193464629 /nfs/dbraw/zinc/46/46/29/193464629.db2.gz XDCLGXSYDGLPSQ-HNNXBMFYSA-N 2 2 309.417 2.889 50 0 DFAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(Oc2ncccn2)c1 ZINC000022937031 182342794 /nfs/dbraw/zinc/34/27/94/182342794.db2.gz BRPRXAASTIAXEN-MRXNPFEDSA-N 2 2 312.417 2.843 50 0 DFAALP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(Oc2ncccn2)c1 ZINC000022937031 182342796 /nfs/dbraw/zinc/34/27/96/182342796.db2.gz BRPRXAASTIAXEN-MRXNPFEDSA-N 2 2 312.417 2.843 50 0 DFAALP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c(Cl)c1OC ZINC000106367144 194201883 /nfs/dbraw/zinc/20/18/83/194201883.db2.gz AVEAKENYBUAJHN-GFCCVEGCSA-N 2 2 312.841 2.789 50 0 DFAALP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(Cl)c1OC ZINC000106367144 194201886 /nfs/dbraw/zinc/20/18/86/194201886.db2.gz AVEAKENYBUAJHN-GFCCVEGCSA-N 2 2 312.841 2.789 50 0 DFAALP CCc1[nH]c(C[N@H+](C)C[C@@H]2COc3ccccc3O2)c(C)[nH+]1 ZINC000065371828 184330050 /nfs/dbraw/zinc/33/00/50/184330050.db2.gz HFFDLPFDVJRWAE-CYBMUJFWSA-N 2 2 301.390 2.552 50 0 DFAALP CCc1[nH]c(C[N@@H+](C)C[C@@H]2COc3ccccc3O2)c(C)[nH+]1 ZINC000065371828 184330051 /nfs/dbraw/zinc/33/00/51/184330051.db2.gz HFFDLPFDVJRWAE-CYBMUJFWSA-N 2 2 301.390 2.552 50 0 DFAALP Cc1cccc(-c2ncc(C[N@@H+]3[C@@H]4CC[C@H]3C[NH2+]CC4)cn2)c1 ZINC000065398276 184336091 /nfs/dbraw/zinc/33/60/91/184336091.db2.gz APVQTDLJLZBQHL-MSOLQXFVSA-N 2 2 308.429 2.778 50 0 DFAALP Cc1cccc(-c2ncc(C[N@H+]3[C@@H]4CC[C@H]3C[NH2+]CC4)cn2)c1 ZINC000065398276 184336093 /nfs/dbraw/zinc/33/60/93/184336093.db2.gz APVQTDLJLZBQHL-MSOLQXFVSA-N 2 2 308.429 2.778 50 0 DFAALP CCOc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)cc1Cl ZINC000426550947 257246843 /nfs/dbraw/zinc/24/68/43/257246843.db2.gz AHSIPZWEJGLYOE-SDSIWUNFSA-N 2 2 306.837 2.921 50 0 DFAALP CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)cc1Cl ZINC000426550947 257246844 /nfs/dbraw/zinc/24/68/44/257246844.db2.gz AHSIPZWEJGLYOE-SDSIWUNFSA-N 2 2 306.837 2.921 50 0 DFAALP O[C@@H](C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cccc(Cl)c1 ZINC000221932011 542883041 /nfs/dbraw/zinc/88/30/41/542883041.db2.gz MXZCPZKKZPMWIU-SJORKVTESA-N 2 2 318.804 2.922 50 0 DFAALP O[C@@H](C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cccc(Cl)c1 ZINC000221932011 542883044 /nfs/dbraw/zinc/88/30/44/542883044.db2.gz MXZCPZKKZPMWIU-SJORKVTESA-N 2 2 318.804 2.922 50 0 DFAALP COC(=O)c1ccccc1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246124510 146121446 /nfs/dbraw/zinc/12/14/46/146121446.db2.gz KNJZWOBEKLFZMC-RHSMWYFYSA-N 2 2 313.401 2.753 50 0 DFAALP COC(=O)c1ccccc1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246124510 146121448 /nfs/dbraw/zinc/12/14/48/146121448.db2.gz KNJZWOBEKLFZMC-RHSMWYFYSA-N 2 2 313.401 2.753 50 0 DFAALP c1coc(C[NH+]2CCC([NH2+][C@@H]3COc4ccccc4C3)CC2)c1 ZINC000670450636 544042402 /nfs/dbraw/zinc/04/24/02/544042402.db2.gz WQDQPYFWVHROCI-KRWDZBQOSA-N 2 2 312.413 2.837 50 0 DFAALP O=C(C[NH+]1CCCCC1)Nc1c2c([nH+]c3c1CCCC3)CCC2 ZINC000000198632 425543356 /nfs/dbraw/zinc/54/33/56/425543356.db2.gz FQRKEVAIBCMWNJ-UHFFFAOYSA-N 2 2 313.445 2.874 50 0 DFAALP COC(=O)c1ccc(-c2ccc(C[NH2+]CCC[NH+](C)C)o2)cc1 ZINC000002230120 425590155 /nfs/dbraw/zinc/59/01/55/425590155.db2.gz GVTBOSJWXGGRRK-UHFFFAOYSA-N 2 2 316.401 2.775 50 0 DFAALP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000071897332 426001341 /nfs/dbraw/zinc/00/13/41/426001341.db2.gz QIFIUZYXBMLJMO-CQSZACIVSA-N 2 2 309.498 2.676 50 0 DFAALP c1ccc(CCC[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069803643 425957974 /nfs/dbraw/zinc/95/79/74/425957974.db2.gz WLJHPUFYRSFYJT-IBGZPJMESA-N 2 2 302.462 2.663 50 0 DFAALP c1ccc(CCC[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069803643 425957976 /nfs/dbraw/zinc/95/79/76/425957976.db2.gz WLJHPUFYRSFYJT-IBGZPJMESA-N 2 2 302.462 2.663 50 0 DFAALP COC(=O)c1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000108367558 426013955 /nfs/dbraw/zinc/01/39/55/426013955.db2.gz OUVMWURPELCGPJ-GXTWGEPZSA-N 2 2 319.430 2.814 50 0 DFAALP COC(=O)c1ccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000108367558 426013957 /nfs/dbraw/zinc/01/39/57/426013957.db2.gz OUVMWURPELCGPJ-GXTWGEPZSA-N 2 2 319.430 2.814 50 0 DFAALP Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000130512934 426160936 /nfs/dbraw/zinc/16/09/36/426160936.db2.gz SXQPWUDGSXSWLG-MRXNPFEDSA-N 2 2 322.416 2.944 50 0 DFAALP Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000130512934 426160939 /nfs/dbraw/zinc/16/09/39/426160939.db2.gz SXQPWUDGSXSWLG-MRXNPFEDSA-N 2 2 322.416 2.944 50 0 DFAALP Cc1cc(C)c(CNC(=O)[C@@H](c2ccc(F)cc2)[NH+](C)C)c[nH+]1 ZINC000095381181 426370600 /nfs/dbraw/zinc/37/06/00/426370600.db2.gz DMHMUFPZOMKDJL-QGZVFWFLSA-N 2 2 315.392 2.757 50 0 DFAALP COC(C)(C)C[C@H](C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000096476634 426433509 /nfs/dbraw/zinc/43/35/09/426433509.db2.gz QKZDQIFENZKSRD-HNNXBMFYSA-N 2 2 305.466 2.839 50 0 DFAALP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc3c[nH]nc32)C1 ZINC000097139269 426453473 /nfs/dbraw/zinc/45/34/73/426453473.db2.gz IZCOVISFUVEPSP-CQSZACIVSA-N 2 2 309.417 2.751 50 0 DFAALP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc3c[nH]nc32)C1 ZINC000097139269 426453476 /nfs/dbraw/zinc/45/34/76/426453476.db2.gz IZCOVISFUVEPSP-CQSZACIVSA-N 2 2 309.417 2.751 50 0 DFAALP CC[NH+](CC)[C@H]1CCN(C(=O)c2ccccc2-c2[nH]cc[nH+]2)C1 ZINC000097578822 426468863 /nfs/dbraw/zinc/46/88/63/426468863.db2.gz ZKVSKZRNVDWGCI-AWEZNQCLSA-N 2 2 312.417 2.633 50 0 DFAALP Cc1nc(NCC(C)(C)[NH+]2CCCCC2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000220045920 426575042 /nfs/dbraw/zinc/57/50/42/426575042.db2.gz OLRQKZMRNIQXAV-SHTZXODSSA-N 2 2 318.465 2.700 50 0 DFAALP COC(=O)c1ccc([C@H](C)[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)o1 ZINC000222121598 426582382 /nfs/dbraw/zinc/58/23/82/426582382.db2.gz IUSHTVIASZGRSU-GXTWGEPZSA-N 2 2 316.357 2.676 50 0 DFAALP COC(=O)c1ccc([C@H](C)[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)o1 ZINC000222121598 426582386 /nfs/dbraw/zinc/58/23/86/426582386.db2.gz IUSHTVIASZGRSU-GXTWGEPZSA-N 2 2 316.357 2.676 50 0 DFAALP OC1(c2csc(C[NH+]3CCC3)n2)CC[NH+](C2CCCC2)CC1 ZINC000225421655 426599208 /nfs/dbraw/zinc/59/92/08/426599208.db2.gz NAAZMEWEQODSTC-UHFFFAOYSA-N 2 2 321.490 2.575 50 0 biogenic,in-vitro DFAALP C[NH+](C)Cc1csc(C[NH+]2CCN(Cc3ccco3)CC2)c1 ZINC000244691863 426724599 /nfs/dbraw/zinc/72/45/99/426724599.db2.gz JKILBHPNMFJWBY-UHFFFAOYSA-N 2 2 319.474 2.721 50 0 DFAALP C[NH+](C)Cc1csc(CN2CC[NH+](Cc3ccco3)CC2)c1 ZINC000244691863 426724605 /nfs/dbraw/zinc/72/46/05/426724605.db2.gz JKILBHPNMFJWBY-UHFFFAOYSA-N 2 2 319.474 2.721 50 0 DFAALP C[C@H](CCc1ccco1)[NH2+][C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000275569902 426871900 /nfs/dbraw/zinc/87/19/00/426871900.db2.gz OHOBMVQCIJFSRK-KEYYUXOJSA-N 2 2 303.406 2.844 50 0 DFAALP Cc1csc(C[N@@H+]2CCC[C@H](Nc3ccc(N)[nH+]c3)CC2)n1 ZINC000328624229 426985319 /nfs/dbraw/zinc/98/53/19/426985319.db2.gz CHHXXZGBZYAHHV-ZDUSSCGKSA-N 2 2 317.462 2.895 50 0 DFAALP Cc1csc(C[N@H+]2CCC[C@H](Nc3ccc(N)[nH+]c3)CC2)n1 ZINC000328624229 426985325 /nfs/dbraw/zinc/98/53/25/426985325.db2.gz CHHXXZGBZYAHHV-ZDUSSCGKSA-N 2 2 317.462 2.895 50 0 DFAALP Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000248895732 427060398 /nfs/dbraw/zinc/06/03/98/427060398.db2.gz BQEINQYGMOXOSC-SJORKVTESA-N 2 2 310.401 2.957 50 0 DFAALP Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248895732 427060403 /nfs/dbraw/zinc/06/04/03/427060403.db2.gz BQEINQYGMOXOSC-SJORKVTESA-N 2 2 310.401 2.957 50 0 DFAALP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCO[C@H]2CCCCO2)C1 ZINC000248845893 427050451 /nfs/dbraw/zinc/05/04/51/427050451.db2.gz UDVQRNQODPHGKR-WBVHZDCISA-N 2 2 307.438 2.626 50 0 DFAALP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCO[C@H]2CCCCO2)C1 ZINC000248845893 427050457 /nfs/dbraw/zinc/05/04/57/427050457.db2.gz UDVQRNQODPHGKR-WBVHZDCISA-N 2 2 307.438 2.626 50 0 DFAALP Cc1ncc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)s1 ZINC000190487419 427123816 /nfs/dbraw/zinc/12/38/16/427123816.db2.gz FURXJEPVPDPNNX-MRXNPFEDSA-N 2 2 316.474 2.800 50 0 DFAALP Cc1ncc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)s1 ZINC000190487419 427123822 /nfs/dbraw/zinc/12/38/22/427123822.db2.gz FURXJEPVPDPNNX-MRXNPFEDSA-N 2 2 316.474 2.800 50 0 DFAALP Cc1ncc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)s1 ZINC000190487419 427123830 /nfs/dbraw/zinc/12/38/30/427123830.db2.gz FURXJEPVPDPNNX-MRXNPFEDSA-N 2 2 316.474 2.800 50 0 DFAALP Cc1ncc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)s1 ZINC000190487419 427123834 /nfs/dbraw/zinc/12/38/34/427123834.db2.gz FURXJEPVPDPNNX-MRXNPFEDSA-N 2 2 316.474 2.800 50 0 DFAALP [NH3+][C@H]1C[C@H](c2cc(NCCCc3[nH]c4ccccc4[nH+]3)ncn2)C1 ZINC000252533067 427189144 /nfs/dbraw/zinc/18/91/44/427189144.db2.gz FUKQRGIXCWATNB-JOCQHMNTSA-N 2 2 322.416 2.602 50 0 DFAALP COC(=O)c1ccc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)cc1 ZINC000376161524 429068207 /nfs/dbraw/zinc/06/82/07/429068207.db2.gz IRIXWEJPKSXXFP-UHFFFAOYSA-N 2 2 302.418 2.533 50 0 DFAALP COC(=O)c1ccc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)cc1 ZINC000376161524 429068211 /nfs/dbraw/zinc/06/82/11/429068211.db2.gz IRIXWEJPKSXXFP-UHFFFAOYSA-N 2 2 302.418 2.533 50 0 DFAALP CSc1cccc(C[N@@H+]2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)c1 ZINC000091270064 332102596 /nfs/dbraw/zinc/10/25/96/332102596.db2.gz BQDXPXOCCBJZJI-AEFFLSMTSA-N 2 2 322.518 2.933 50 0 DFAALP CSc1cccc(C[N@H+]2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)c1 ZINC000091270064 332102598 /nfs/dbraw/zinc/10/25/98/332102598.db2.gz BQDXPXOCCBJZJI-AEFFLSMTSA-N 2 2 322.518 2.933 50 0 DFAALP CCC[NH+]1CCC([NH+]2CCN(c3cccc(OC)c3)CC2)CC1 ZINC000032520296 517583481 /nfs/dbraw/zinc/58/34/81/517583481.db2.gz CEKSOXNONKLWCQ-UHFFFAOYSA-N 2 2 317.477 2.692 50 0 DFAALP Brc1cccc2c1CC[C@@H]2[NH2+]CCn1cc[nH+]c1 ZINC000091264091 518222183 /nfs/dbraw/zinc/22/21/83/518222183.db2.gz BMMUZDVEZJIDEI-AWEZNQCLSA-N 2 2 306.207 2.923 50 0 DFAALP CC(C)Cn1c[nH+]cc1CNC(=O)[C@@H](C)n1cc[nH+]c1C(C)C ZINC000095531288 185378682 /nfs/dbraw/zinc/37/86/82/185378682.db2.gz WBIGDXKRPSVDRM-CQSZACIVSA-N 2 2 317.437 2.736 50 0 DFAALP C[NH+](C)CCC[NH+](CCCc1ccccc1)CCC[NH+](C)C ZINC000003680983 398348700 /nfs/dbraw/zinc/34/87/00/398348700.db2.gz SBVBKVVEKOURBW-UHFFFAOYSA-N 3 2 305.510 2.825 50 0 DFAALP CC(C)(C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)OCO2 ZINC000075093181 398785066 /nfs/dbraw/zinc/78/50/66/398785066.db2.gz PCCQIEUECPCPFM-CQSZACIVSA-N 2 2 302.418 2.519 50 0 DFAALP CC(C)(C[NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)OCO2 ZINC000075093181 398785069 /nfs/dbraw/zinc/78/50/69/398785069.db2.gz PCCQIEUECPCPFM-CQSZACIVSA-N 2 2 302.418 2.519 50 0 DFAALP Cc1ccc(F)c(C[N@H+]2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)c1 ZINC000091364462 193046275 /nfs/dbraw/zinc/04/62/75/193046275.db2.gz NILZPJOKJMRBDG-QAPCUYQASA-N 2 2 308.441 2.659 50 0 DFAALP Cc1ccc(F)c(C[N@@H+]2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)c1 ZINC000091364462 193046277 /nfs/dbraw/zinc/04/62/77/193046277.db2.gz NILZPJOKJMRBDG-QAPCUYQASA-N 2 2 308.441 2.659 50 0 DFAALP COC[C@@H]1CCC[N@H+](CC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000093337746 193235123 /nfs/dbraw/zinc/23/51/23/193235123.db2.gz XJEBYNIDXSTIDG-GOSISDBHSA-N 2 2 324.509 2.628 50 0 DFAALP COC[C@@H]1CCC[N@@H+](CC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000093337746 193235124 /nfs/dbraw/zinc/23/51/24/193235124.db2.gz XJEBYNIDXSTIDG-GOSISDBHSA-N 2 2 324.509 2.628 50 0 DFAALP Cc1c[nH]c(CN(C)[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)[nH+]1 ZINC000019940001 182168086 /nfs/dbraw/zinc/16/80/86/182168086.db2.gz KSVYDKXZMZBVDD-SFHVURJKSA-N 2 2 324.472 2.782 50 0 DFAALP Cc1c[nH]c(CN(C)[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)[nH+]1 ZINC000019940001 182168089 /nfs/dbraw/zinc/16/80/89/182168089.db2.gz KSVYDKXZMZBVDD-SFHVURJKSA-N 2 2 324.472 2.782 50 0 DFAALP O[C@@H](C[NH2+]Cc1ccc(Cl)c(Cl)c1)C[NH+]1CCCCC1 ZINC000058009029 184066718 /nfs/dbraw/zinc/06/67/18/184066718.db2.gz MRHMZDAUVSYXEW-ZDUSSCGKSA-N 2 2 317.260 2.930 50 0 DFAALP Nc1nc(NCc2c(F)cccc2Cl)cc([C@H]2C[C@@H]([NH3+])C2)[nH+]1 ZINC000223441642 542885211 /nfs/dbraw/zinc/88/52/11/542885211.db2.gz VNZAKIHFPZPLRB-KYZUINATSA-N 2 2 321.787 2.668 50 0 DFAALP CO[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000096003175 286038051 /nfs/dbraw/zinc/03/80/51/286038051.db2.gz LTRAHJNRDMFPSZ-KGLIPLIRSA-N 2 2 308.388 2.950 50 0 DFAALP Cc1cc(C2=C[C@H]([NH3+])CN(C(=O)OC(C)(C)C)C2)c[nH+]c1C ZINC000675077564 544283177 /nfs/dbraw/zinc/28/31/77/544283177.db2.gz GCXRMOZVHXIHTP-HNNXBMFYSA-N 2 2 303.406 2.660 50 0 DFAALP COc1ccc(-c2nc(C[NH+]3CCC([NH3+])CC3)c(C)o2)c(F)c1 ZINC000067883772 425914237 /nfs/dbraw/zinc/91/42/37/425914237.db2.gz LFTNIGRUJPRCEV-UHFFFAOYSA-N 2 2 319.380 2.721 50 0 DFAALP C[N@H+](C1CC[NH+](C)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000000280041 425550716 /nfs/dbraw/zinc/55/07/16/425550716.db2.gz KUFNQPDVXMENIU-UHFFFAOYSA-N 3 2 301.478 2.677 50 0 DFAALP C[N@@H+](C1CC[NH+](C)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000000280041 425550719 /nfs/dbraw/zinc/55/07/19/425550719.db2.gz KUFNQPDVXMENIU-UHFFFAOYSA-N 3 2 301.478 2.677 50 0 DFAALP CC[NH+](CC)CC(=O)Nc1c2c([nH+]c3ccccc31)N(C)CC2 ZINC000000290408 425550982 /nfs/dbraw/zinc/55/09/82/425550982.db2.gz ULEABQXEHYMPOJ-UHFFFAOYSA-N 2 2 312.417 2.507 50 0 DFAALP COc1cccc(-c2[nH]c3ccc(N4CC[NH+](C)CC4)cc3[nH+]2)c1 ZINC000004003181 425617082 /nfs/dbraw/zinc/61/70/82/425617082.db2.gz HMMUUODVUCKTAH-UHFFFAOYSA-N 2 2 322.412 2.990 50 0 DFAALP Cn1ncc2c1nc[nH+]c2NCc1ccccc1C[NH+]1CCCC1 ZINC000029078910 425824232 /nfs/dbraw/zinc/82/42/32/425824232.db2.gz GRBDFOUMTRPNAJ-UHFFFAOYSA-N 2 2 322.416 2.571 50 0 DFAALP CCC[NH+]1CCC([NH+]2CCN(c3ccccc3C)CC2)CC1 ZINC000032540691 425838818 /nfs/dbraw/zinc/83/88/18/425838818.db2.gz PEJHSBRFFHIWJI-UHFFFAOYSA-N 2 2 301.478 2.991 50 0 DFAALP CC(C)c1cc(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000107593320 425995860 /nfs/dbraw/zinc/99/58/60/425995860.db2.gz RMOJQTLLOGNZTJ-GJZGRUSLSA-N 2 2 320.481 2.615 50 0 DFAALP CC(C)c1cc(N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000107593320 425995862 /nfs/dbraw/zinc/99/58/62/425995862.db2.gz RMOJQTLLOGNZTJ-GJZGRUSLSA-N 2 2 320.481 2.615 50 0 DFAALP Cc1ccc(C[NH+]2CCSCC2)cc1NCc1[nH]cc[nH+]1 ZINC000125416958 425971060 /nfs/dbraw/zinc/97/10/60/425971060.db2.gz DDFAFQSVAGYTSU-UHFFFAOYSA-N 2 2 302.447 2.879 50 0 DFAALP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2cc(C)sc2C)CC1 ZINC000095350317 426366530 /nfs/dbraw/zinc/36/65/30/426366530.db2.gz OBEJDYMXLVUVRL-KBPBESRZSA-N 2 2 323.506 2.568 50 0 DFAALP CCCOC(=O)N1CCC[C@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095360093 426367511 /nfs/dbraw/zinc/36/75/11/426367511.db2.gz CXOQXFAZAGOGCK-HNNXBMFYSA-N 2 2 322.453 2.561 50 0 DFAALP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)cc2c1OCOC2 ZINC000095977331 426381673 /nfs/dbraw/zinc/38/16/73/426381673.db2.gz YWTYSSHNJJACLE-UHFFFAOYSA-N 2 2 321.808 2.925 50 0 DFAALP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)cc2c1OCOC2 ZINC000095977331 426381677 /nfs/dbraw/zinc/38/16/77/426381677.db2.gz YWTYSSHNJJACLE-UHFFFAOYSA-N 2 2 321.808 2.925 50 0 DFAALP COC(=O)C1CC[NH+](CCC[NH+]2CCC3(CCCC3)CC2)CC1 ZINC000096497118 426436459 /nfs/dbraw/zinc/43/64/59/426436459.db2.gz JVQDXXXLXYTZOA-UHFFFAOYSA-N 2 2 322.493 2.918 50 0 DFAALP Cc1cc(-n2cccn2)ccc1C[NH+]1C[C@H]2CC[C@@H]1C[N@H+](C)C2 ZINC000215163000 426549906 /nfs/dbraw/zinc/54/99/06/426549906.db2.gz PSSYYDKGVASGKV-QFBILLFUSA-N 2 2 310.445 2.707 50 0 DFAALP Cc1cc(-n2cccn2)ccc1C[NH+]1C[C@H]2CC[C@@H]1C[N@@H+](C)C2 ZINC000215163000 426549910 /nfs/dbraw/zinc/54/99/10/426549910.db2.gz PSSYYDKGVASGKV-QFBILLFUSA-N 2 2 310.445 2.707 50 0 DFAALP Cc1cc(-n2cccn2)ccc1C[N@@H+]1C[C@H]2CC[C@@H]1C[NH+](C)C2 ZINC000215163000 426549915 /nfs/dbraw/zinc/54/99/15/426549915.db2.gz PSSYYDKGVASGKV-QFBILLFUSA-N 2 2 310.445 2.707 50 0 DFAALP CC[C@H](NC(=O)C[N@H+](C)C1CC[NH2+]CC1)c1ccc(C)cc1C ZINC000215425136 426553638 /nfs/dbraw/zinc/55/36/38/426553638.db2.gz NMVYZEWFJXJTTK-SFHVURJKSA-N 2 2 317.477 2.555 50 0 DFAALP CC[C@H](NC(=O)C[N@@H+](C)C1CC[NH2+]CC1)c1ccc(C)cc1C ZINC000215425136 426553643 /nfs/dbraw/zinc/55/36/43/426553643.db2.gz NMVYZEWFJXJTTK-SFHVURJKSA-N 2 2 317.477 2.555 50 0 DFAALP Nc1nc(N2CC=C(c3ccccc3)CC2)cc([C@H]2C[C@@H]([NH3+])C2)[nH+]1 ZINC000218915803 426570145 /nfs/dbraw/zinc/57/01/45/426570145.db2.gz ZDXWYRSLVKEDKE-WKILWMFISA-N 2 2 321.428 2.557 50 0 DFAALP CCc1[nH+]ccn1CC[N@H+](C)Cc1nc2cc(F)ccc2[nH]1 ZINC000244787949 426726645 /nfs/dbraw/zinc/72/66/45/426726645.db2.gz QGWUSHUAPNYDAZ-UHFFFAOYSA-N 2 2 301.369 2.593 50 0 DFAALP CCc1[nH+]ccn1CC[N@@H+](C)Cc1nc2cc(F)ccc2[nH]1 ZINC000244787949 426726652 /nfs/dbraw/zinc/72/66/52/426726652.db2.gz QGWUSHUAPNYDAZ-UHFFFAOYSA-N 2 2 301.369 2.593 50 0 DFAALP C[C@H](CCc1ccco1)[NH2+][C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000275569892 426871695 /nfs/dbraw/zinc/87/16/95/426871695.db2.gz OHOBMVQCIJFSRK-CKEIUWERSA-N 2 2 303.406 2.844 50 0 DFAALP COc1ccc([C@@H]2CN(c3cc[nH+]cc3F)C[C@H]2[NH+](C)C)cc1 ZINC000095352272 274117161 /nfs/dbraw/zinc/11/71/61/274117161.db2.gz IHNJLRJXZHAKBJ-MAUKXSAKSA-N 2 2 315.392 2.763 50 0 DFAALP Cc1ccc(N2CCC[C@@H](c3[nH+]ccn3CC[NH+](C)C)C2)[nH+]c1 ZINC000095527606 185378459 /nfs/dbraw/zinc/37/84/59/185378459.db2.gz CHOCFTBRKQAPRJ-MRXNPFEDSA-N 3 2 313.449 2.532 50 0 DFAALP Cc1ccc(N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)[nH+]c1 ZINC000095527606 185378460 /nfs/dbraw/zinc/37/84/60/185378460.db2.gz CHOCFTBRKQAPRJ-MRXNPFEDSA-N 2 2 313.449 2.532 50 0 DFAALP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCCn3cc[nH+]c3)CC2)C1 ZINC000095419079 185359941 /nfs/dbraw/zinc/35/99/41/185359941.db2.gz UCXAVMJGMOOOLO-FUHWJXTLSA-N 3 2 304.482 2.906 50 0 DFAALP Cc1nnc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)o1 ZINC000328607097 398565064 /nfs/dbraw/zinc/56/50/64/398565064.db2.gz UMLXDBTXJUDLLM-CQSZACIVSA-N 2 2 318.446 2.584 50 0 DFAALP Cc1nnc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)o1 ZINC000328607097 398565066 /nfs/dbraw/zinc/56/50/66/398565066.db2.gz UMLXDBTXJUDLLM-CQSZACIVSA-N 2 2 318.446 2.584 50 0 DFAALP O[C@@H](C[NH2+][C@H]1CCc2ccccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000253357392 186300894 /nfs/dbraw/zinc/30/08/94/186300894.db2.gz AAWSSEKUWIPPTL-FPOVZHCZSA-N 2 2 322.452 2.683 50 0 DFAALP O[C@@H](C[NH2+][C@H]1CCc2ccccc21)C[N@H+]1CCc2ccccc2C1 ZINC000253357392 186300896 /nfs/dbraw/zinc/30/08/96/186300896.db2.gz AAWSSEKUWIPPTL-FPOVZHCZSA-N 2 2 322.452 2.683 50 0 DFAALP Cc1cccn2c(C[N@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)cnc12 ZINC000097377014 398668148 /nfs/dbraw/zinc/66/81/48/398668148.db2.gz RIMPFKKIGVPAPJ-MRXNPFEDSA-N 2 2 323.444 2.831 50 0 DFAALP Cc1cccn2c(C[N@@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)cnc12 ZINC000097377014 398668152 /nfs/dbraw/zinc/66/81/52/398668152.db2.gz RIMPFKKIGVPAPJ-MRXNPFEDSA-N 2 2 323.444 2.831 50 0 DFAALP Cc1nc[nH]c1C[N@@H+]1CCCC12CCN(c1cccc[nH+]1)CC2 ZINC000072433226 191164313 /nfs/dbraw/zinc/16/43/13/191164313.db2.gz RWNPUASDSGRKPS-UHFFFAOYSA-N 2 2 311.433 2.748 50 0 DFAALP Cc1nc[nH]c1C[N@H+]1CCCC12CCN(c1cccc[nH+]1)CC2 ZINC000072433226 191164315 /nfs/dbraw/zinc/16/43/15/191164315.db2.gz RWNPUASDSGRKPS-UHFFFAOYSA-N 2 2 311.433 2.748 50 0 DFAALP COc1cccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c1OC ZINC000004745781 181146716 /nfs/dbraw/zinc/14/67/16/181146716.db2.gz NQRGRCNODGWSQL-UHFFFAOYSA-N 2 2 304.434 2.764 50 0 DFAALP CC(C)(C[NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)OCO2 ZINC000075093182 398785036 /nfs/dbraw/zinc/78/50/36/398785036.db2.gz PCCQIEUECPCPFM-AWEZNQCLSA-N 2 2 302.418 2.519 50 0 DFAALP CC(C)(C[NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)OCO2 ZINC000075093182 398785038 /nfs/dbraw/zinc/78/50/38/398785038.db2.gz PCCQIEUECPCPFM-AWEZNQCLSA-N 2 2 302.418 2.519 50 0 DFAALP Cc1n[nH]cc1C[NH+]1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000275532998 212397390 /nfs/dbraw/zinc/39/73/90/212397390.db2.gz DUEXUCYCPITJTH-SFHVURJKSA-N 2 2 313.449 2.600 50 0 DFAALP Cc1n[nH]cc1C[NH+]1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000275532998 212397391 /nfs/dbraw/zinc/39/73/91/212397391.db2.gz DUEXUCYCPITJTH-SFHVURJKSA-N 2 2 313.449 2.600 50 0 DFAALP Cc1n[nH]cc1C[N@H+]1CCC[C@H]([NH+](C)Cc2ccccn2)CC1 ZINC000275532998 212397394 /nfs/dbraw/zinc/39/73/94/212397394.db2.gz DUEXUCYCPITJTH-SFHVURJKSA-N 2 2 313.449 2.600 50 0 DFAALP Cc1n[nH]cc1C[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccn2)CC1 ZINC000275532998 212397397 /nfs/dbraw/zinc/39/73/97/212397397.db2.gz DUEXUCYCPITJTH-SFHVURJKSA-N 2 2 313.449 2.600 50 0 DFAALP Cc1cc(C[N@@H+]2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)no1 ZINC000275302697 212260905 /nfs/dbraw/zinc/26/09/05/212260905.db2.gz NCKSWGBSJLMAPA-HNNXBMFYSA-N 2 2 300.406 2.814 50 0 DFAALP Cc1cc(C[N@H+]2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)no1 ZINC000275302697 212260908 /nfs/dbraw/zinc/26/09/08/212260908.db2.gz NCKSWGBSJLMAPA-HNNXBMFYSA-N 2 2 300.406 2.814 50 0 DFAALP COC(=O)c1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000016662653 182056555 /nfs/dbraw/zinc/05/65/55/182056555.db2.gz MJSVUMFEEYMVNG-UHFFFAOYSA-N 2 2 316.445 2.924 50 0 DFAALP CCCOc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1OC ZINC000020931234 182255253 /nfs/dbraw/zinc/25/52/53/182255253.db2.gz FLHYGMGAGOVJSB-UHFFFAOYSA-N 2 2 303.406 2.860 50 0 DFAALP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000035275088 182766765 /nfs/dbraw/zinc/76/67/65/182766765.db2.gz DFTPGAVRZAXNFW-SNVBAGLBSA-N 2 2 312.186 2.963 50 0 DFAALP CC[NH+](CC)CCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000058402056 184113337 /nfs/dbraw/zinc/11/33/37/184113337.db2.gz SAENTPUFXGAGPJ-UHFFFAOYSA-N 2 2 313.486 2.707 50 0 DFAALP Cc1[nH+]c2ccccc2n1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000060368072 184146877 /nfs/dbraw/zinc/14/68/77/184146877.db2.gz JNPKVPDLKZWEFE-KRWDZBQOSA-N 2 2 309.413 2.838 50 0 DFAALP Cc1[nH+]c2ccccc2n1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000060368072 184146879 /nfs/dbraw/zinc/14/68/79/184146879.db2.gz JNPKVPDLKZWEFE-KRWDZBQOSA-N 2 2 309.413 2.838 50 0 DFAALP Cc1ccc(NC[C@H]2CC[N@H+](Cc3noc(C4CC4)n3)C2)[nH+]c1 ZINC000065467322 184350424 /nfs/dbraw/zinc/35/04/24/184350424.db2.gz BXAZDGKXJBIUPV-CYBMUJFWSA-N 2 2 313.405 2.584 50 0 DFAALP Cc1ccc(NC[C@H]2CC[N@@H+](Cc3noc(C4CC4)n3)C2)[nH+]c1 ZINC000065467322 184350426 /nfs/dbraw/zinc/35/04/26/184350426.db2.gz BXAZDGKXJBIUPV-CYBMUJFWSA-N 2 2 313.405 2.584 50 0 DFAALP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C[N@@H+]1C ZINC000252477809 257258071 /nfs/dbraw/zinc/25/80/71/257258071.db2.gz VUVCCKAZLLALIM-KHEOEIQESA-N 2 2 323.481 2.599 50 0 DFAALP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C[N@H+]1C ZINC000252477809 257258073 /nfs/dbraw/zinc/25/80/73/257258073.db2.gz VUVCCKAZLLALIM-KHEOEIQESA-N 2 2 323.481 2.599 50 0 DFAALP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccn(-c2ccc(F)cc2)n1 ZINC000090944354 542538725 /nfs/dbraw/zinc/53/87/25/542538725.db2.gz VJTNYVFQGUVDEG-LBTNJELSSA-N 2 2 316.424 2.830 50 0 DFAALP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccn(-c2ccc(F)cc2)n1 ZINC000090944354 542538727 /nfs/dbraw/zinc/53/87/27/542538727.db2.gz VJTNYVFQGUVDEG-LBTNJELSSA-N 2 2 316.424 2.830 50 0 DFAALP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccn(-c2ccc(F)cc2)n1 ZINC000090944357 542539046 /nfs/dbraw/zinc/53/90/46/542539046.db2.gz VJTNYVFQGUVDEG-GLJUWKHASA-N 2 2 316.424 2.830 50 0 DFAALP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccn(-c2ccc(F)cc2)n1 ZINC000090944357 542539051 /nfs/dbraw/zinc/53/90/51/542539051.db2.gz VJTNYVFQGUVDEG-GLJUWKHASA-N 2 2 316.424 2.830 50 0 DFAALP Cc1ccc(C)c(CCNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)c1 ZINC000219885164 542879154 /nfs/dbraw/zinc/87/91/54/542879154.db2.gz DOACWBJVCLNVHH-UHFFFAOYSA-N 2 2 311.433 2.535 50 0 DFAALP Cc1ncsc1C[N@@H+]1CCCO[C@@H](C[NH+]2CCCCC2)C1 ZINC000670463542 544043889 /nfs/dbraw/zinc/04/38/89/544043889.db2.gz QJQFJKMUCPUEHV-HNNXBMFYSA-N 2 2 309.479 2.528 50 0 DFAALP Cc1ncsc1C[N@H+]1CCCO[C@@H](C[NH+]2CCCCC2)C1 ZINC000670463542 544043894 /nfs/dbraw/zinc/04/38/94/544043894.db2.gz QJQFJKMUCPUEHV-HNNXBMFYSA-N 2 2 309.479 2.528 50 0 DFAALP Cc1ncsc1C[N@@H+]1CCCO[C@H](C[NH+]2CCCCC2)C1 ZINC000670463543 544044571 /nfs/dbraw/zinc/04/45/71/544044571.db2.gz QJQFJKMUCPUEHV-OAHLLOKOSA-N 2 2 309.479 2.528 50 0 DFAALP Cc1ncsc1C[N@H+]1CCCO[C@H](C[NH+]2CCCCC2)C1 ZINC000670463543 544044573 /nfs/dbraw/zinc/04/45/73/544044573.db2.gz QJQFJKMUCPUEHV-OAHLLOKOSA-N 2 2 309.479 2.528 50 0 DFAALP COc1ccc(OC[C@@H]2CCC[N@H+](CCc3[nH]cc[nH+]3)C2)cc1 ZINC000670469995 544044857 /nfs/dbraw/zinc/04/48/57/544044857.db2.gz IEBFEYHNSIXGEQ-OAHLLOKOSA-N 2 2 315.417 2.752 50 0 DFAALP COc1ccc(OC[C@@H]2CCC[N@@H+](CCc3[nH]cc[nH+]3)C2)cc1 ZINC000670469995 544044859 /nfs/dbraw/zinc/04/48/59/544044859.db2.gz IEBFEYHNSIXGEQ-OAHLLOKOSA-N 2 2 315.417 2.752 50 0 DFAALP C[C@@H](C(=O)Nc1c[nH+]c2n1CCCC2)[N@H+](C)C1CCCCC1 ZINC000067908183 425914728 /nfs/dbraw/zinc/91/47/28/425914728.db2.gz KEQWHQYQVXCSLJ-ZDUSSCGKSA-N 2 2 304.438 2.811 50 0 DFAALP C[C@@H](C(=O)Nc1c[nH+]c2n1CCCC2)[N@@H+](C)C1CCCCC1 ZINC000067908183 425914729 /nfs/dbraw/zinc/91/47/29/425914729.db2.gz KEQWHQYQVXCSLJ-ZDUSSCGKSA-N 2 2 304.438 2.811 50 0 DFAALP C[C@H]1C[NH+](C2CC[NH+](CCc3ccccc3)CC2)C[C@H](C)O1 ZINC000000758093 425570976 /nfs/dbraw/zinc/57/09/76/425570976.db2.gz LDQTXXIPBVZWQI-IRXDYDNUSA-N 2 2 302.462 2.803 50 0 DFAALP COC(=O)CC[C@H]1C[N@H+](Cc2ccc(F)cc2)CC[C@H]1[NH+](C)C ZINC000011911494 425715258 /nfs/dbraw/zinc/71/52/58/425715258.db2.gz AUSXIDIEHLVCRT-DOTOQJQBSA-N 2 2 322.424 2.531 50 0 DFAALP COC(=O)CC[C@H]1C[N@@H+](Cc2ccc(F)cc2)CC[C@H]1[NH+](C)C ZINC000011911494 425715263 /nfs/dbraw/zinc/71/52/63/425715263.db2.gz AUSXIDIEHLVCRT-DOTOQJQBSA-N 2 2 322.424 2.531 50 0 DFAALP COc1ccccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000048782294 425877428 /nfs/dbraw/zinc/87/74/28/425877428.db2.gz GFOBAMAZGLOJJB-UHFFFAOYSA-N 2 2 308.385 2.874 50 0 DFAALP Cn1nccc1[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000069487139 425941880 /nfs/dbraw/zinc/94/18/80/425941880.db2.gz OQXSKVUDQDGMLM-KRWDZBQOSA-N 2 2 321.428 2.985 50 0 DFAALP Cn1nccc1[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000069487139 425941883 /nfs/dbraw/zinc/94/18/83/425941883.db2.gz OQXSKVUDQDGMLM-KRWDZBQOSA-N 2 2 321.428 2.985 50 0 DFAALP CC1(C)CC([NH2+]Cc2nccn2CC(F)(F)F)CC(C)(C)[NH2+]1 ZINC000105415686 425967947 /nfs/dbraw/zinc/96/79/47/425967947.db2.gz DZUWHKGUEUGFFZ-UHFFFAOYSA-N 2 2 318.387 2.844 50 0 DFAALP C[C@@H]1C[C@H](NC[C@@H](c2ccco2)[NH+]2CCCC2)C[N@@H+]1C1CC1 ZINC000075110876 426062405 /nfs/dbraw/zinc/06/24/05/426062405.db2.gz LVJHWRDJJGFDJF-VYDXJSESSA-N 2 2 303.450 2.631 50 0 DFAALP C[C@@H]1C[C@H](NC[C@@H](c2ccco2)[NH+]2CCCC2)C[N@H+]1C1CC1 ZINC000075110876 426062406 /nfs/dbraw/zinc/06/24/06/426062406.db2.gz LVJHWRDJJGFDJF-VYDXJSESSA-N 2 2 303.450 2.631 50 0 DFAALP C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccc2c(c1)OCO2 ZINC000151481696 426297643 /nfs/dbraw/zinc/29/76/43/426297643.db2.gz FGVWQTBZYDVZBN-ZDUSSCGKSA-N 2 2 322.368 2.847 50 0 DFAALP Cn1cc[nH+]c1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000095385867 426371353 /nfs/dbraw/zinc/37/13/53/426371353.db2.gz FNOODQOWEQZNSU-ZWKOTPCHSA-N 2 2 310.445 2.517 50 0 DFAALP Cn1cc[nH+]c1CN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000095385867 426371355 /nfs/dbraw/zinc/37/13/55/426371355.db2.gz FNOODQOWEQZNSU-ZWKOTPCHSA-N 2 2 310.445 2.517 50 0 DFAALP C[N@@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)c1cn(-c2ccccc2)nn1 ZINC000097112500 426450259 /nfs/dbraw/zinc/45/02/59/426450259.db2.gz HRYSLPKQVCGKAC-OAHLLOKOSA-N 2 2 313.449 2.576 50 0 DFAALP C[N@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)c1cn(-c2ccccc2)nn1 ZINC000097112500 426450261 /nfs/dbraw/zinc/45/02/61/426450261.db2.gz HRYSLPKQVCGKAC-OAHLLOKOSA-N 2 2 313.449 2.576 50 0 DFAALP O[C@@H](C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1cccc(F)c1 ZINC000097200703 426457673 /nfs/dbraw/zinc/45/76/73/426457673.db2.gz XFNPAUWWYXGEMN-YOEHRIQHSA-N 2 2 315.392 2.688 50 0 DFAALP O[C@@H](C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1cccc(F)c1 ZINC000097200703 426457676 /nfs/dbraw/zinc/45/76/76/426457676.db2.gz XFNPAUWWYXGEMN-YOEHRIQHSA-N 2 2 315.392 2.688 50 0 DFAALP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](Cc3nnc(C4CC4)o3)C2)c1 ZINC000097200817 426457858 /nfs/dbraw/zinc/45/78/58/426457858.db2.gz UNDHXCCPILACID-ZDUSSCGKSA-N 2 2 313.405 2.584 50 0 DFAALP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3nnc(C4CC4)o3)C2)c1 ZINC000097200817 426457862 /nfs/dbraw/zinc/45/78/62/426457862.db2.gz UNDHXCCPILACID-ZDUSSCGKSA-N 2 2 313.405 2.584 50 0 DFAALP Cc1cc(C)n(C2C[NH+](Cc3cc(C[NH+](C)C)cs3)C2)n1 ZINC000097729756 426472911 /nfs/dbraw/zinc/47/29/11/426472911.db2.gz ZCCBGUCDQZKUNU-UHFFFAOYSA-N 2 2 304.463 2.680 50 0 DFAALP C[C@@H]1C[C@H](NC[C@H](c2ccco2)[NH+]2CCCC2)C[N@@H+]1C1CC1 ZINC000230174779 426646795 /nfs/dbraw/zinc/64/67/95/426646795.db2.gz LVJHWRDJJGFDJF-HLLBOEOZSA-N 2 2 303.450 2.631 50 0 DFAALP C[C@@H]1C[C@H](NC[C@H](c2ccco2)[NH+]2CCCC2)C[N@H+]1C1CC1 ZINC000230174779 426646797 /nfs/dbraw/zinc/64/67/97/426646797.db2.gz LVJHWRDJJGFDJF-HLLBOEOZSA-N 2 2 303.450 2.631 50 0 DFAALP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1O ZINC000245716809 426764532 /nfs/dbraw/zinc/76/45/32/426764532.db2.gz CWVZCRJYASJZRW-UKRRQHHQSA-N 2 2 301.390 2.680 50 0 DFAALP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1O ZINC000245716809 426764535 /nfs/dbraw/zinc/76/45/35/426764535.db2.gz CWVZCRJYASJZRW-UKRRQHHQSA-N 2 2 301.390 2.680 50 0 DFAALP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H]1c1ccc[nH]1 ZINC000252476741 427176835 /nfs/dbraw/zinc/17/68/35/427176835.db2.gz APISCBGGXRRKCK-HKUYNNGSSA-N 2 2 313.445 2.645 50 0 DFAALP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H]1c1ccc[nH]1 ZINC000252476741 427176840 /nfs/dbraw/zinc/17/68/40/427176840.db2.gz APISCBGGXRRKCK-HKUYNNGSSA-N 2 2 313.445 2.645 50 0 DFAALP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000252476741 427176844 /nfs/dbraw/zinc/17/68/44/427176844.db2.gz APISCBGGXRRKCK-HKUYNNGSSA-N 2 2 313.445 2.645 50 0 DFAALP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000252476741 427176849 /nfs/dbraw/zinc/17/68/49/427176849.db2.gz APISCBGGXRRKCK-HKUYNNGSSA-N 2 2 313.445 2.645 50 0 DFAALP Cc1noc([C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)n1 ZINC000346281759 428107014 /nfs/dbraw/zinc/10/70/14/428107014.db2.gz XYFORDHPLQXDGD-MRXNPFEDSA-N 2 2 323.400 2.862 50 0 DFAALP Cc1noc([C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)n1 ZINC000346281759 428107018 /nfs/dbraw/zinc/10/70/18/428107018.db2.gz XYFORDHPLQXDGD-MRXNPFEDSA-N 2 2 323.400 2.862 50 0 DFAALP Cc1cnn([C@@H](C)C[NH2+]C2CC[NH+](Cc3ccco3)CC2)c1 ZINC000534586290 334292206 /nfs/dbraw/zinc/29/22/06/334292206.db2.gz UWYNFJXVGLYOAS-HNNXBMFYSA-N 2 2 302.422 2.600 50 0 DFAALP Cc1cnn([C@H](C)C[NH2+]C2CC[NH+](Cc3ccco3)CC2)c1 ZINC000534586295 334292238 /nfs/dbraw/zinc/29/22/38/334292238.db2.gz UWYNFJXVGLYOAS-OAHLLOKOSA-N 2 2 302.422 2.600 50 0 DFAALP O[C@H](C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1cccc(F)c1 ZINC000225343223 398348025 /nfs/dbraw/zinc/34/80/25/398348025.db2.gz XFNPAUWWYXGEMN-RHSMWYFYSA-N 2 2 315.392 2.688 50 0 DFAALP O[C@H](C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1cccc(F)c1 ZINC000225343223 398348031 /nfs/dbraw/zinc/34/80/31/398348031.db2.gz XFNPAUWWYXGEMN-RHSMWYFYSA-N 2 2 315.392 2.688 50 0 DFAALP OC[C@@]1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCc2ccccc21 ZINC000095429781 185362713 /nfs/dbraw/zinc/36/27/13/185362713.db2.gz BFYPFNHWSHCNKN-FQEVSTJZSA-N 2 2 319.408 2.796 50 0 DFAALP COc1cccc(-n2cc([C@H](C)[NH2+]C3CC[NH+](C)CC3)cn2)c1 ZINC000584885857 398426148 /nfs/dbraw/zinc/42/61/48/398426148.db2.gz BDGOMOLCRVAIPF-AWEZNQCLSA-N 2 2 314.433 2.626 50 0 DFAALP C[C@@H]1CC([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C[C@@H](C)O1 ZINC000328655192 398568655 /nfs/dbraw/zinc/56/86/55/398568655.db2.gz YDADSUZCBLRYRK-DEICHXMPSA-N 2 2 303.450 2.620 50 0 DFAALP C[C@@H]1CC([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C[C@@H](C)O1 ZINC000328655192 398568660 /nfs/dbraw/zinc/56/86/60/398568660.db2.gz YDADSUZCBLRYRK-DEICHXMPSA-N 2 2 303.450 2.620 50 0 DFAALP COc1ccc(-c2[nH+]ccn2C[C@H](C)O)cc1C[NH+]1CCCC1 ZINC000071754633 191025238 /nfs/dbraw/zinc/02/52/38/191025238.db2.gz KSIVGEAPTWKZNI-AWEZNQCLSA-N 2 2 315.417 2.535 50 0 DFAALP O=C(c1cccc([C@@H]2CC[NH2+]C2)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000072409537 191153448 /nfs/dbraw/zinc/15/34/48/191153448.db2.gz UDPCNNCANMOOCT-QGZVFWFLSA-N 2 2 324.428 2.506 50 0 DFAALP OC1CC[NH+](C2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)CC1 ZINC000072410444 191153652 /nfs/dbraw/zinc/15/36/52/191153652.db2.gz OXKVCLGMARFJIF-OWOJBTEDSA-N 2 2 318.436 2.760 50 0 DFAALP CCC(=O)Nc1ccc2c(c1)[nH+]c(CCn1cc[nH+]c1C)n2C ZINC000006665113 181367409 /nfs/dbraw/zinc/36/74/09/181367409.db2.gz WIMYRCBJBRDNCY-UHFFFAOYSA-N 2 2 311.389 2.669 50 0 DFAALP c1cn2c(cccc2C[NH2+][C@H]2CCCO[C@@H]2c2ccncc2)[nH+]1 ZINC000275481727 212360903 /nfs/dbraw/zinc/36/09/03/212360903.db2.gz IKHSXHOQXDUGGN-FUHWJXTLSA-N 2 2 308.385 2.739 50 0 DFAALP CCCCOC(=O)N1CCC(c2[nH+]ccn2CC[NH+](C)C)CC1 ZINC000091663071 193086955 /nfs/dbraw/zinc/08/69/55/193086955.db2.gz RBYKTQWENAXDDJ-UHFFFAOYSA-N 2 2 322.453 2.561 50 0 DFAALP CCCCn1cc[nH+]c1C1CC[NH+](CCC(=O)NC2CC2)CC1 ZINC000091793154 193109368 /nfs/dbraw/zinc/10/93/68/193109368.db2.gz VJPHQZIAUXLSMW-UHFFFAOYSA-N 2 2 318.465 2.531 50 0 DFAALP C[C@](O)(C[NH+]1CCC([NH2+]Cc2ccccc2)CC1)C(F)(F)F ZINC000408522867 257254574 /nfs/dbraw/zinc/25/45/74/257254574.db2.gz DMPSDXPGSOOPDI-HNNXBMFYSA-N 2 2 316.367 2.554 50 0 DFAALP C[C@@H](c1cccc(-c2cc(N(C)C)nc(N)[nH+]2)c1)[NH+]1CCCC1 ZINC000215904321 542874097 /nfs/dbraw/zinc/87/40/97/542874097.db2.gz VLZCASFANNVUTH-ZDUSSCGKSA-N 2 2 311.433 2.949 50 0 DFAALP CN1CC[C@@H]([N@H+](C)Cc2cc(C[NH+]3CCCCC3)cs2)C1 ZINC000223399241 542885686 /nfs/dbraw/zinc/88/56/86/542885686.db2.gz LKYSPYZCHZAQDU-MRXNPFEDSA-N 2 2 307.507 2.870 50 0 DFAALP CN1CC[C@@H]([N@@H+](C)Cc2cc(C[NH+]3CCCCC3)cs2)C1 ZINC000223399241 542885688 /nfs/dbraw/zinc/88/56/88/542885688.db2.gz LKYSPYZCHZAQDU-MRXNPFEDSA-N 2 2 307.507 2.870 50 0 DFAALP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(OC(C)(C)C)cc1 ZINC000157061759 287038833 /nfs/dbraw/zinc/03/88/33/287038833.db2.gz SELGSYAGVUIXNS-WBVHZDCISA-N 2 2 319.493 2.760 50 0 DFAALP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(OC(C)(C)C)cc1 ZINC000157061759 287038836 /nfs/dbraw/zinc/03/88/36/287038836.db2.gz SELGSYAGVUIXNS-WBVHZDCISA-N 2 2 319.493 2.760 50 0 DFAALP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000053945897 425888840 /nfs/dbraw/zinc/88/88/40/425888840.db2.gz CJAWTKPDIRAQEQ-INIZCTEOSA-N 2 2 314.433 2.659 50 0 DFAALP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000053945897 425888841 /nfs/dbraw/zinc/88/88/41/425888841.db2.gz CJAWTKPDIRAQEQ-INIZCTEOSA-N 2 2 314.433 2.659 50 0 DFAALP O[C@@H](C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1)c1ccccc1 ZINC000299749901 229393655 /nfs/dbraw/zinc/39/36/55/229393655.db2.gz LZLJUUHLYUCBRS-APWZRJJASA-N 2 2 311.429 2.742 50 0 DFAALP O[C@@H](C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1)c1ccccc1 ZINC000299749901 229393656 /nfs/dbraw/zinc/39/36/56/229393656.db2.gz LZLJUUHLYUCBRS-APWZRJJASA-N 2 2 311.429 2.742 50 0 DFAALP CCNc1ncc(C[N@H+](C)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000067881612 425914433 /nfs/dbraw/zinc/91/44/33/425914433.db2.gz IZZJOOPBVCGDOW-UHFFFAOYSA-N 2 2 305.470 2.649 50 0 DFAALP CCNc1ncc(C[N@@H+](C)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000067881612 425914434 /nfs/dbraw/zinc/91/44/34/425914434.db2.gz IZZJOOPBVCGDOW-UHFFFAOYSA-N 2 2 305.470 2.649 50 0 DFAALP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(-c2ccc(F)cc2)no1 ZINC000067856342 425914043 /nfs/dbraw/zinc/91/40/43/425914043.db2.gz CIZMVUDEEPRZSK-GFCCVEGCSA-N 2 2 300.337 2.856 50 0 DFAALP O=C(Nc1c[nH+]c2n1CCCC2)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000067982007 425915337 /nfs/dbraw/zinc/91/53/37/425915337.db2.gz BEKGYOMYCXJBSF-MRXNPFEDSA-N 2 2 324.428 2.823 50 0 DFAALP O=C(Nc1c[nH+]c2n1CCCC2)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000067982007 425915338 /nfs/dbraw/zinc/91/53/38/425915338.db2.gz BEKGYOMYCXJBSF-MRXNPFEDSA-N 2 2 324.428 2.823 50 0 DFAALP CN1CCc2c1[nH+]c1ccccc1c2NC(=O)C[NH2+]C(C)(C)C ZINC000000354817 425555350 /nfs/dbraw/zinc/55/53/50/425555350.db2.gz YIYHVGVPBXSAGR-UHFFFAOYSA-N 2 2 312.417 2.554 50 0 DFAALP c1cn(CCC[NH2+]Cc2cccc(Oc3ncccn3)c2)c[nH+]1 ZINC000013731694 425761082 /nfs/dbraw/zinc/76/10/82/425761082.db2.gz QTSMHRHVYAUOAG-UHFFFAOYSA-N 2 2 309.373 2.645 50 0 DFAALP CCc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2[nH]c(CC)[nH+]c2C)C1 ZINC000071315326 425984341 /nfs/dbraw/zinc/98/43/41/425984341.db2.gz LVWRASHVIQEDLY-AWEZNQCLSA-N 2 2 301.438 2.946 50 0 DFAALP CCc1c[nH]nc1[C@H]1CCC[N@H+](Cc2[nH]c(CC)[nH+]c2C)C1 ZINC000071315326 425984343 /nfs/dbraw/zinc/98/43/43/425984343.db2.gz LVWRASHVIQEDLY-AWEZNQCLSA-N 2 2 301.438 2.946 50 0 DFAALP c1cnn(C[C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000071875558 425997837 /nfs/dbraw/zinc/99/78/37/425997837.db2.gz ZZBAUYDACFAIEF-SFHVURJKSA-N 2 2 307.401 2.733 50 0 DFAALP c1cnn(C[C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000071875558 425997839 /nfs/dbraw/zinc/99/78/39/425997839.db2.gz ZZBAUYDACFAIEF-SFHVURJKSA-N 2 2 307.401 2.733 50 0 DFAALP Cc1ncc2c(n1)C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000069454338 425941126 /nfs/dbraw/zinc/94/11/26/425941126.db2.gz ITZLFLLLAJAJEY-UHFFFAOYSA-N 2 2 305.385 2.529 50 0 DFAALP Cc1ncc2c(n1)C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000069454338 425941128 /nfs/dbraw/zinc/94/11/28/425941128.db2.gz ITZLFLLLAJAJEY-UHFFFAOYSA-N 2 2 305.385 2.529 50 0 DFAALP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnn(C(C)(C)C)c1)CCC2 ZINC000089702145 426303897 /nfs/dbraw/zinc/30/38/97/426303897.db2.gz MOIBBKKLZXIKCN-OAHLLOKOSA-N 2 2 301.438 2.810 50 0 DFAALP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc2c(c1)OCCO2 ZINC000089947849 426320515 /nfs/dbraw/zinc/32/05/15/426320515.db2.gz UFLCOPGXMSXBFM-OAHLLOKOSA-N 2 2 301.390 2.785 50 0 DFAALP CC(C)c1cc(N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000089939184 426320530 /nfs/dbraw/zinc/32/05/30/426320530.db2.gz RMOJQTLLOGNZTJ-LSDHHAIUSA-N 2 2 320.481 2.615 50 0 DFAALP CC(C)c1cc(N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000089939184 426320532 /nfs/dbraw/zinc/32/05/32/426320532.db2.gz RMOJQTLLOGNZTJ-LSDHHAIUSA-N 2 2 320.481 2.615 50 0 DFAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(c2cccc[nH+]2)CC1 ZINC000095355195 426366945 /nfs/dbraw/zinc/36/69/45/426366945.db2.gz CUKXKSXSNCOZSB-UHFFFAOYSA-N 3 2 313.449 2.614 50 0 DFAALP CCCn1cc[nH+]c1CN1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095368297 426368519 /nfs/dbraw/zinc/36/85/19/426368519.db2.gz NQNNRWRWXODNOE-ZWKOTPCHSA-N 2 2 316.493 2.989 50 0 DFAALP CCCn1cc[nH+]c1CN1C[C@H]2CC[C@H](C[N@@H+]2CC2CCC2)C1 ZINC000095368297 426368521 /nfs/dbraw/zinc/36/85/21/426368521.db2.gz NQNNRWRWXODNOE-ZWKOTPCHSA-N 2 2 316.493 2.989 50 0 DFAALP C[NH+]1CCC([NH+]2CCC(Nc3ncccc3Cl)CC2)CC1 ZINC000095964909 426378687 /nfs/dbraw/zinc/37/86/87/426378687.db2.gz OOHFCXFYKBATTI-UHFFFAOYSA-N 2 2 308.857 2.706 50 0 DFAALP CC[NH+]1CCN(c2ccc(C(=O)Nc3cc[nH+]cc3C)cc2)CC1 ZINC000096436399 426424665 /nfs/dbraw/zinc/42/46/65/426424665.db2.gz NNIZLDGXXGPZII-UHFFFAOYSA-N 2 2 324.428 2.784 50 0 DFAALP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCS1 ZINC000097017301 426440118 /nfs/dbraw/zinc/44/01/18/426440118.db2.gz HJSCLAULBIGAPV-PVAVHDDUSA-N 2 2 305.491 2.777 50 0 DFAALP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCS1 ZINC000097017301 426440121 /nfs/dbraw/zinc/44/01/21/426440121.db2.gz HJSCLAULBIGAPV-PVAVHDDUSA-N 2 2 305.491 2.777 50 0 DFAALP C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000097200731 426457470 /nfs/dbraw/zinc/45/74/70/426457470.db2.gz NUSLWGFFJYVQOW-QWHCGFSZSA-N 2 2 313.405 2.837 50 0 DFAALP C[C@@H](c1nc(C2CC2)no1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000097200731 426457472 /nfs/dbraw/zinc/45/74/72/426457472.db2.gz NUSLWGFFJYVQOW-QWHCGFSZSA-N 2 2 313.405 2.837 50 0 DFAALP Cc1nc(C[N@@H+]2CC[C@@H](CNc3ccc(C)c[nH+]3)C2)oc1C ZINC000097200529 426458219 /nfs/dbraw/zinc/45/82/19/426458219.db2.gz ZNKFNWBBRZCUSN-HNNXBMFYSA-N 2 2 300.406 2.929 50 0 DFAALP Cc1nc(C[N@H+]2CC[C@@H](CNc3ccc(C)c[nH+]3)C2)oc1C ZINC000097200529 426458222 /nfs/dbraw/zinc/45/82/22/426458222.db2.gz ZNKFNWBBRZCUSN-HNNXBMFYSA-N 2 2 300.406 2.929 50 0 DFAALP COC[C@@H]1CCC[N@@H+]1Cc1ccc(OCCn2cc[nH+]c2)cc1 ZINC000215449955 426554360 /nfs/dbraw/zinc/55/43/60/426554360.db2.gz CMULKULRTJMKOG-KRWDZBQOSA-N 2 2 315.417 2.573 50 0 DFAALP COC[C@@H]1CCC[N@H+]1Cc1ccc(OCCn2cc[nH+]c2)cc1 ZINC000215449955 426554364 /nfs/dbraw/zinc/55/43/64/426554364.db2.gz CMULKULRTJMKOG-KRWDZBQOSA-N 2 2 315.417 2.573 50 0 DFAALP C[C@@H]1CCCC[N@@H+]1C1CN(Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000243892410 426722094 /nfs/dbraw/zinc/72/20/94/426722094.db2.gz AHWXMRWJFGYYFG-QGZVFWFLSA-N 2 2 324.472 2.990 50 0 DFAALP C[C@@H]1CCCC[N@H+]1C1CN(Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000243892410 426722096 /nfs/dbraw/zinc/72/20/96/426722096.db2.gz AHWXMRWJFGYYFG-QGZVFWFLSA-N 2 2 324.472 2.990 50 0 DFAALP COc1cccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1F ZINC000241213366 426714971 /nfs/dbraw/zinc/71/49/71/426714971.db2.gz KOIJAPOKBMVPAN-AWEZNQCLSA-N 2 2 303.381 2.947 50 0 DFAALP COc1cccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1F ZINC000241213366 426714973 /nfs/dbraw/zinc/71/49/73/426714973.db2.gz KOIJAPOKBMVPAN-AWEZNQCLSA-N 2 2 303.381 2.947 50 0 DFAALP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCCS1 ZINC000246950895 426882778 /nfs/dbraw/zinc/88/27/78/426882778.db2.gz HJSCLAULBIGAPV-DJIMGWMZSA-N 2 2 305.491 2.777 50 0 DFAALP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCCS1 ZINC000246950895 426882783 /nfs/dbraw/zinc/88/27/83/426882783.db2.gz HJSCLAULBIGAPV-DJIMGWMZSA-N 2 2 305.491 2.777 50 0 DFAALP c1cc(C2CC[NH+](C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)[nH]n1 ZINC000299792400 427770435 /nfs/dbraw/zinc/77/04/35/427770435.db2.gz FDRJLRSXSPMIPS-FUHWJXTLSA-N 2 2 302.466 2.854 50 0 DFAALP c1cc(C2CC[NH+](C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)[nH]n1 ZINC000299792400 427770437 /nfs/dbraw/zinc/77/04/37/427770437.db2.gz FDRJLRSXSPMIPS-FUHWJXTLSA-N 2 2 302.466 2.854 50 0 DFAALP CC(C)C[NH+]1CCC(c2nnc(C[NH+]3CCCCC3)n2C)CC1 ZINC000096151780 275885685 /nfs/dbraw/zinc/88/56/85/275885685.db2.gz HRKDKFZWLJFECG-UHFFFAOYSA-N 2 2 319.497 2.636 50 0 DFAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000534650580 334311604 /nfs/dbraw/zinc/31/16/04/334311604.db2.gz RMDOBCLQUNWYHP-HNNXBMFYSA-N 2 2 316.424 2.665 50 0 DFAALP Cc1[nH+]c2ccc(Cl)cn2c1CN(C)C[C@H]1CCC[N@@H+]1C ZINC000584901755 398430880 /nfs/dbraw/zinc/43/08/80/398430880.db2.gz LWWSYMFYYOHVKZ-CQSZACIVSA-N 2 2 306.841 2.822 50 0 DFAALP Cc1[nH+]c2ccc(Cl)cn2c1CN(C)C[C@H]1CCC[N@H+]1C ZINC000584901755 398430882 /nfs/dbraw/zinc/43/08/82/398430882.db2.gz LWWSYMFYYOHVKZ-CQSZACIVSA-N 2 2 306.841 2.822 50 0 DFAALP COc1ccc([C@H]([NH2+]C2CC[NH+](C)CC2)c2ccncc2)cc1 ZINC000584903402 398430956 /nfs/dbraw/zinc/43/09/56/398430956.db2.gz DDJREWQXIRVVPA-IBGZPJMESA-N 2 2 311.429 2.863 50 0 DFAALP Cc1ccc([C@H]2CN(Cc3[nH]cc[nH+]3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072147374 191053021 /nfs/dbraw/zinc/05/30/21/191053021.db2.gz VIEPVEJJDFLVEI-MISYRCLQSA-N 2 2 322.456 2.780 50 0 DFAALP COCCC[N@H+](Cc1ccc(OC)c(F)c1)C1CC[NH+](C)CC1 ZINC000072420472 191157161 /nfs/dbraw/zinc/15/71/61/191157161.db2.gz OTLBCWGXJHTZRT-UHFFFAOYSA-N 2 2 324.440 2.767 50 0 DFAALP COCCC[N@@H+](Cc1ccc(OC)c(F)c1)C1CC[NH+](C)CC1 ZINC000072420472 191157163 /nfs/dbraw/zinc/15/71/63/191157163.db2.gz OTLBCWGXJHTZRT-UHFFFAOYSA-N 2 2 324.440 2.767 50 0 DFAALP CCCCOc1ccc(C[N@@H+]2CC[C@@H]([NH+](C)C)[C@@H](CO)C2)cc1 ZINC000075876335 398826206 /nfs/dbraw/zinc/82/62/06/398826206.db2.gz BEWAILMPNGDGNU-IEBWSBKVSA-N 2 2 320.477 2.610 50 0 DFAALP CCCCOc1ccc(C[N@H+]2CC[C@@H]([NH+](C)C)[C@@H](CO)C2)cc1 ZINC000075876335 398826209 /nfs/dbraw/zinc/82/62/09/398826209.db2.gz BEWAILMPNGDGNU-IEBWSBKVSA-N 2 2 320.477 2.610 50 0 DFAALP COc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1OC ZINC000180129349 199120507 /nfs/dbraw/zinc/12/05/07/199120507.db2.gz CTUATPPFEJZQPP-INIZCTEOSA-N 2 2 315.417 2.873 50 0 DFAALP COc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1OC ZINC000180129349 199120508 /nfs/dbraw/zinc/12/05/08/199120508.db2.gz CTUATPPFEJZQPP-INIZCTEOSA-N 2 2 315.417 2.873 50 0 DFAALP COc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1OC ZINC000180129369 199120661 /nfs/dbraw/zinc/12/06/61/199120661.db2.gz CTUATPPFEJZQPP-MRXNPFEDSA-N 2 2 315.417 2.873 50 0 DFAALP COc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1OC ZINC000180129369 199120662 /nfs/dbraw/zinc/12/06/62/199120662.db2.gz CTUATPPFEJZQPP-MRXNPFEDSA-N 2 2 315.417 2.873 50 0 DFAALP Cn1cc[nH+]c1CN1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000091468994 193060847 /nfs/dbraw/zinc/06/08/47/193060847.db2.gz WAGBSBVBCWOMDV-ZWKOTPCHSA-N 2 2 310.445 2.517 50 0 DFAALP Cn1cc[nH+]c1CN1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000091468994 193060849 /nfs/dbraw/zinc/06/08/49/193060849.db2.gz WAGBSBVBCWOMDV-ZWKOTPCHSA-N 2 2 310.445 2.517 50 0 DFAALP Cc1nn(C)cc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336744 193232657 /nfs/dbraw/zinc/23/26/57/193232657.db2.gz MWMSWJFWJLSAAY-SFHVURJKSA-N 2 2 312.461 2.682 50 0 DFAALP Cc1nn(C)cc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336744 193232659 /nfs/dbraw/zinc/23/26/59/193232659.db2.gz MWMSWJFWJLSAAY-SFHVURJKSA-N 2 2 312.461 2.682 50 0 DFAALP Cc1nn(C)cc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336744 193232661 /nfs/dbraw/zinc/23/26/61/193232661.db2.gz MWMSWJFWJLSAAY-SFHVURJKSA-N 2 2 312.461 2.682 50 0 DFAALP Cc1nn(C)cc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336744 193232663 /nfs/dbraw/zinc/23/26/63/193232663.db2.gz MWMSWJFWJLSAAY-SFHVURJKSA-N 2 2 312.461 2.682 50 0 DFAALP Cc1ccccc1OCC[NH+]1CCC([NH+]2CCSCC2)CC1 ZINC000019782492 182148573 /nfs/dbraw/zinc/14/85/73/182148573.db2.gz XBWWTNVVTPJLOZ-UHFFFAOYSA-N 2 2 320.502 2.887 50 0 DFAALP Cn1cc[nH+]c1CN1CCC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000019850560 182156963 /nfs/dbraw/zinc/15/69/63/182156963.db2.gz YCFGJUWCHRSHJE-SFHVURJKSA-N 2 2 312.461 2.559 50 0 DFAALP Cn1cc[nH+]c1CN1CCC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000019850560 182156965 /nfs/dbraw/zinc/15/69/65/182156965.db2.gz YCFGJUWCHRSHJE-SFHVURJKSA-N 2 2 312.461 2.559 50 0 DFAALP C[N@H+](CCn1cc[nH+]c1)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000012305055 542421104 /nfs/dbraw/zinc/42/11/04/542421104.db2.gz OOFHADJRGJMOMN-UHFFFAOYSA-N 2 2 317.780 2.719 50 0 DFAALP C[N@@H+](CCn1cc[nH+]c1)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000012305055 542421108 /nfs/dbraw/zinc/42/11/08/542421108.db2.gz OOFHADJRGJMOMN-UHFFFAOYSA-N 2 2 317.780 2.719 50 0 DFAALP COCC[N@@H+]1CC[C@H](C[NH+](C)Cc2cc(Cl)ccc2F)C1 ZINC000215979545 542874129 /nfs/dbraw/zinc/87/41/29/542874129.db2.gz INLODDGLWWFZAP-CYBMUJFWSA-N 2 2 314.832 2.879 50 0 DFAALP COCC[N@H+]1CC[C@H](C[NH+](C)Cc2cc(Cl)ccc2F)C1 ZINC000215979545 542874133 /nfs/dbraw/zinc/87/41/33/542874133.db2.gz INLODDGLWWFZAP-CYBMUJFWSA-N 2 2 314.832 2.879 50 0 DFAALP COCC[NH+]1CC[C@H](C[N@H+](C)Cc2cc(Cl)ccc2F)C1 ZINC000215979545 542874136 /nfs/dbraw/zinc/87/41/36/542874136.db2.gz INLODDGLWWFZAP-CYBMUJFWSA-N 2 2 314.832 2.879 50 0 DFAALP COCC[NH+]1CC[C@H](C[N@@H+](C)Cc2cc(Cl)ccc2F)C1 ZINC000215979545 542874139 /nfs/dbraw/zinc/87/41/39/542874139.db2.gz INLODDGLWWFZAP-CYBMUJFWSA-N 2 2 314.832 2.879 50 0 DFAALP c1cn(CC[C@H]2CCCC[N@@H+]2Cc2cccc3nonc32)c[nH+]1 ZINC000216069916 542874860 /nfs/dbraw/zinc/87/48/60/542874860.db2.gz GZIXWGVYJKTUAM-OAHLLOKOSA-N 2 2 311.389 2.864 50 0 DFAALP c1cn(CC[C@H]2CCCC[N@H+]2Cc2cccc3nonc32)c[nH+]1 ZINC000216069916 542874864 /nfs/dbraw/zinc/87/48/64/542874864.db2.gz GZIXWGVYJKTUAM-OAHLLOKOSA-N 2 2 311.389 2.864 50 0 DFAALP CN(Cc1ccccc1Cl)c1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000222302799 542883640 /nfs/dbraw/zinc/88/36/40/542883640.db2.gz BJCAOCHIMIHKOY-UHFFFAOYSA-N 2 2 317.824 2.553 50 0 DFAALP CC[NH+]1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000000220390 425547112 /nfs/dbraw/zinc/54/71/12/425547112.db2.gz AFRLWKGONWZECG-UHFFFAOYSA-N 2 2 307.869 2.946 50 0 DFAALP Cc1[nH+]cc(C[N@H+]2CC[C@@H](C3CC[NH+](CC(C)C)CC3)C2)n1C ZINC000011664250 425710796 /nfs/dbraw/zinc/71/07/96/425710796.db2.gz NYPJELBGZLRNJU-GOSISDBHSA-N 3 2 318.509 2.918 50 0 DFAALP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](C3CC[NH+](CC(C)C)CC3)C2)n1C ZINC000011664250 425710800 /nfs/dbraw/zinc/71/08/00/425710800.db2.gz NYPJELBGZLRNJU-GOSISDBHSA-N 3 2 318.509 2.918 50 0 DFAALP CCc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2[nH]c(CC)[nH+]c2C)C1 ZINC000071315324 425984729 /nfs/dbraw/zinc/98/47/29/425984729.db2.gz LVWRASHVIQEDLY-CQSZACIVSA-N 2 2 301.438 2.946 50 0 DFAALP CCc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2[nH]c(CC)[nH+]c2C)C1 ZINC000071315324 425984732 /nfs/dbraw/zinc/98/47/32/425984732.db2.gz LVWRASHVIQEDLY-CQSZACIVSA-N 2 2 301.438 2.946 50 0 DFAALP Cc1ccc(-c2ccnc(N(C)C[C@@H]3CCC[N@@H+]3C)n2)c(C)[nH+]1 ZINC000071589500 425986838 /nfs/dbraw/zinc/98/68/38/425986838.db2.gz ZZZQPOQWMWIOMQ-HNNXBMFYSA-N 2 2 311.433 2.686 50 0 DFAALP Cc1ccc(-c2ccnc(N(C)C[C@@H]3CCC[N@H+]3C)n2)c(C)[nH+]1 ZINC000071589500 425986841 /nfs/dbraw/zinc/98/68/41/425986841.db2.gz ZZZQPOQWMWIOMQ-HNNXBMFYSA-N 2 2 311.433 2.686 50 0 DFAALP C[C@@H](c1ccc(F)cc1F)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000071909032 426003737 /nfs/dbraw/zinc/00/37/37/426003737.db2.gz PRERJOMIHIBBEO-HOCLYGCPSA-N 2 2 323.431 2.738 50 0 DFAALP C[C@@H](c1ccc(F)cc1F)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000071909032 426003741 /nfs/dbraw/zinc/00/37/41/426003741.db2.gz PRERJOMIHIBBEO-HOCLYGCPSA-N 2 2 323.431 2.738 50 0 DFAALP c1ccc(CCC[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069803645 425957781 /nfs/dbraw/zinc/95/77/81/425957781.db2.gz WLJHPUFYRSFYJT-LJQANCHMSA-N 2 2 302.462 2.663 50 0 DFAALP c1ccc(CCC[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069803645 425957784 /nfs/dbraw/zinc/95/77/84/425957784.db2.gz WLJHPUFYRSFYJT-LJQANCHMSA-N 2 2 302.462 2.663 50 0 DFAALP CCOc1ccccc1C[N@@H+]1CC[C@](O)(C[NH+]2CCCCC2)C1 ZINC000077321311 426127882 /nfs/dbraw/zinc/12/78/82/426127882.db2.gz LFZJZWXPTJBYGX-IBGZPJMESA-N 2 2 318.461 2.508 50 0 DFAALP CCOc1ccccc1C[N@H+]1CC[C@](O)(C[NH+]2CCCCC2)C1 ZINC000077321311 426127885 /nfs/dbraw/zinc/12/78/85/426127885.db2.gz LFZJZWXPTJBYGX-IBGZPJMESA-N 2 2 318.461 2.508 50 0 DFAALP c1cc([C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n[nH]1 ZINC000089787655 426308707 /nfs/dbraw/zinc/30/87/07/426308707.db2.gz PJNONIUAMZVCQB-MRXNPFEDSA-N 2 2 307.401 2.975 50 0 DFAALP c1cc([C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n[nH]1 ZINC000089787655 426308710 /nfs/dbraw/zinc/30/87/10/426308710.db2.gz PJNONIUAMZVCQB-MRXNPFEDSA-N 2 2 307.401 2.975 50 0 DFAALP CC1CCC(O)(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000090003896 426323968 /nfs/dbraw/zinc/32/39/68/426323968.db2.gz HLWHCMCFGSMDHZ-UPTPFMHGSA-N 2 2 305.466 2.616 50 0 DFAALP CC1CCC(O)(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000090003896 426323971 /nfs/dbraw/zinc/32/39/71/426323971.db2.gz HLWHCMCFGSMDHZ-UPTPFMHGSA-N 2 2 305.466 2.616 50 0 DFAALP Cc1c[nH+]ccc1N1CCC[C@@H](c2[nH+]ccn2CC[NH+](C)C)C1 ZINC000095363896 426368253 /nfs/dbraw/zinc/36/82/53/426368253.db2.gz YBQUUEFFHFGZNZ-MRXNPFEDSA-N 3 2 313.449 2.532 50 0 DFAALP Cc1cc(C)c(CNC(=O)[C@H](c2ccc(F)cc2)[NH+](C)C)c[nH+]1 ZINC000095381182 426370933 /nfs/dbraw/zinc/37/09/33/426370933.db2.gz DMHMUFPZOMKDJL-KRWDZBQOSA-N 2 2 315.392 2.757 50 0 DFAALP Cc1cccc(N2CCC([NH2+][C@@H]3C[N@H+](C(C)C)C[C@@H]3C)CC2)[nH+]1 ZINC000095422611 426371959 /nfs/dbraw/zinc/37/19/59/426371959.db2.gz IIWXNRHDSOHGAU-MAUKXSAKSA-N 3 2 316.493 2.677 50 0 DFAALP Cc1cccc(N2CCC([NH2+][C@@H]3C[N@@H+](C(C)C)C[C@@H]3C)CC2)[nH+]1 ZINC000095422611 426371962 /nfs/dbraw/zinc/37/19/62/426371962.db2.gz IIWXNRHDSOHGAU-MAUKXSAKSA-N 3 2 316.493 2.677 50 0 DFAALP C[C@H]1C[C@H](N(C)Cc2[nH+]ccn2C)CC[N@@H+]1Cc1ccccc1 ZINC000096414933 426417896 /nfs/dbraw/zinc/41/78/96/426417896.db2.gz NULWCOLXZRRKEF-FUHWJXTLSA-N 2 2 312.461 2.905 50 0 DFAALP C[C@H]1C[C@H](N(C)Cc2[nH+]ccn2C)CC[N@H+]1Cc1ccccc1 ZINC000096414933 426417898 /nfs/dbraw/zinc/41/78/98/426417898.db2.gz NULWCOLXZRRKEF-FUHWJXTLSA-N 2 2 312.461 2.905 50 0 DFAALP CCc1nnc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000096500907 426437882 /nfs/dbraw/zinc/43/78/82/426437882.db2.gz GTDZFGREFITWSQ-LBPRGKRZSA-N 2 2 311.389 2.977 50 0 DFAALP COCC[N@@H+]1CC[C@H](C[NH+](C)Cc2ccc(F)cc2Cl)C1 ZINC000097815071 426474904 /nfs/dbraw/zinc/47/49/04/426474904.db2.gz BQWWLKGJJBQLIR-CYBMUJFWSA-N 2 2 314.832 2.879 50 0 DFAALP COCC[N@H+]1CC[C@H](C[NH+](C)Cc2ccc(F)cc2Cl)C1 ZINC000097815071 426474905 /nfs/dbraw/zinc/47/49/05/426474905.db2.gz BQWWLKGJJBQLIR-CYBMUJFWSA-N 2 2 314.832 2.879 50 0 DFAALP COCC[NH+]1CC[C@H](C[N@H+](C)Cc2ccc(F)cc2Cl)C1 ZINC000097815071 426474906 /nfs/dbraw/zinc/47/49/06/426474906.db2.gz BQWWLKGJJBQLIR-CYBMUJFWSA-N 2 2 314.832 2.879 50 0 DFAALP COCC[NH+]1CC[C@H](C[N@@H+](C)Cc2ccc(F)cc2Cl)C1 ZINC000097815071 426474907 /nfs/dbraw/zinc/47/49/07/426474907.db2.gz BQWWLKGJJBQLIR-CYBMUJFWSA-N 2 2 314.832 2.879 50 0 DFAALP Cc1cccc(CCCNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)c1 ZINC000219524022 426571811 /nfs/dbraw/zinc/57/18/11/426571811.db2.gz ZDQUSXIECCWWOA-UHFFFAOYSA-N 2 2 311.433 2.617 50 0 DFAALP CC(C)c1nnc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)n1C ZINC000189911645 426979498 /nfs/dbraw/zinc/97/94/98/426979498.db2.gz ZCNRPMARAOVYCO-AWEZNQCLSA-N 2 2 324.432 2.975 50 0 DFAALP Cc1ncccc1C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190473074 427117455 /nfs/dbraw/zinc/11/74/55/427117455.db2.gz VRGXSAIGDXMSSR-GOSISDBHSA-N 2 2 310.445 2.739 50 0 DFAALP Cc1ncccc1C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190473074 427117459 /nfs/dbraw/zinc/11/74/59/427117459.db2.gz VRGXSAIGDXMSSR-GOSISDBHSA-N 2 2 310.445 2.739 50 0 DFAALP Cc1ncccc1C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190473074 427117464 /nfs/dbraw/zinc/11/74/64/427117464.db2.gz VRGXSAIGDXMSSR-GOSISDBHSA-N 2 2 310.445 2.739 50 0 DFAALP Cc1ncccc1C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190473074 427117470 /nfs/dbraw/zinc/11/74/70/427117470.db2.gz VRGXSAIGDXMSSR-GOSISDBHSA-N 2 2 310.445 2.739 50 0 DFAALP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(OC)c1OC ZINC000277473653 427212990 /nfs/dbraw/zinc/21/29/90/427212990.db2.gz MFOZOYWQVOYNQX-OAHLLOKOSA-N 2 2 322.449 2.629 50 0 DFAALP COc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(OC)c1OC ZINC000277473653 427212992 /nfs/dbraw/zinc/21/29/92/427212992.db2.gz MFOZOYWQVOYNQX-OAHLLOKOSA-N 2 2 322.449 2.629 50 0 DFAALP CC(C)N(C)c1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cn1 ZINC000191284932 427308997 /nfs/dbraw/zinc/30/89/97/427308997.db2.gz QIZHJBRSZAYYOM-UHFFFAOYSA-N 2 2 313.449 2.960 50 0 DFAALP C[NH2+]CCOc1ccc(C[N@H+](C)Cc2csc(C)n2)cc1 ZINC000299795902 427770387 /nfs/dbraw/zinc/77/03/87/427770387.db2.gz MHJJTHISVKNONA-UHFFFAOYSA-N 2 2 305.447 2.682 50 0 DFAALP C[NH2+]CCOc1ccc(C[N@@H+](C)Cc2csc(C)n2)cc1 ZINC000299795902 427770388 /nfs/dbraw/zinc/77/03/88/427770388.db2.gz MHJJTHISVKNONA-UHFFFAOYSA-N 2 2 305.447 2.682 50 0 DFAALP COC(=O)c1ccccc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000180120055 274007030 /nfs/dbraw/zinc/00/70/30/274007030.db2.gz OFOLJIFTIXWHDA-MRXNPFEDSA-N 2 2 313.401 2.643 50 0 DFAALP COC(=O)c1ccccc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000180120055 274007031 /nfs/dbraw/zinc/00/70/31/274007031.db2.gz OFOLJIFTIXWHDA-MRXNPFEDSA-N 2 2 313.401 2.643 50 0 DFAALP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3[nH+]c(C)cn3C2)C12CCCC2 ZINC000096493381 276346762 /nfs/dbraw/zinc/34/67/62/276346762.db2.gz LZGUFXHAHGLLLM-BZUAXINKSA-N 2 2 303.450 2.834 50 0 DFAALP CC(C)[C@H](C)C(=O)Nc1ncc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000725271484 546414201 /nfs/dbraw/zinc/41/42/01/546414201.db2.gz GNJLZCSDVFCNEN-OBJOEFQTSA-N 2 2 324.494 2.543 50 0 DFAALP CC(C)[C@H](C)C(=O)Nc1ncc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000725271484 546414205 /nfs/dbraw/zinc/41/42/05/546414205.db2.gz GNJLZCSDVFCNEN-OBJOEFQTSA-N 2 2 324.494 2.543 50 0 DFAALP CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](CC(C)C)CC1 ZINC000082139287 192361797 /nfs/dbraw/zinc/36/17/97/192361797.db2.gz SNTJGXVKRGSHCE-UHFFFAOYSA-N 2 2 319.497 2.729 50 0 DFAALP Cc1ccc([C@@H]2CN(Cc3[nH]cc[nH+]3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072146843 191052302 /nfs/dbraw/zinc/05/23/02/191052302.db2.gz VIEPVEJJDFLVEI-DFQSSKMNSA-N 2 2 322.456 2.780 50 0 DFAALP c1ccc(N2CCC([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)[nH+]c1 ZINC000253369546 186301228 /nfs/dbraw/zinc/30/12/28/186301228.db2.gz DWTFPNBKRIIDIQ-KBAYOESNSA-N 2 2 313.445 2.598 50 0 DFAALP CC(C)COc1cccc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000072463617 191173951 /nfs/dbraw/zinc/17/39/51/191173951.db2.gz WIEVBCSCBFUNAN-IBGZPJMESA-N 2 2 320.477 2.610 50 0 DFAALP CC(C)COc1cccc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000072463617 191173953 /nfs/dbraw/zinc/17/39/53/191173953.db2.gz WIEVBCSCBFUNAN-IBGZPJMESA-N 2 2 320.477 2.610 50 0 DFAALP CCCc1ccc(C[NH+]2CCC([NH+]3CCC(O)CC3)CC2)o1 ZINC000072470122 191175162 /nfs/dbraw/zinc/17/51/62/191175162.db2.gz NKSCIKIWNPLCTJ-UHFFFAOYSA-N 2 2 306.450 2.653 50 0 DFAALP CCOCC[NH+]1CCC(c2[nH+]ccn2Cc2cscn2)CC1 ZINC000091551636 193072197 /nfs/dbraw/zinc/07/21/97/193072197.db2.gz HAKPXDOWBCAKGV-UHFFFAOYSA-N 2 2 320.462 2.604 50 0 DFAALP COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1O ZINC000091960307 193132011 /nfs/dbraw/zinc/13/20/11/193132011.db2.gz CWVZCRJYASJZRW-ZFWWWQNUSA-N 2 2 301.390 2.680 50 0 DFAALP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1O ZINC000091960307 193132013 /nfs/dbraw/zinc/13/20/13/193132013.db2.gz CWVZCRJYASJZRW-ZFWWWQNUSA-N 2 2 301.390 2.680 50 0 DFAALP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3cscn3)C1)CCCC2 ZINC000275311241 212265194 /nfs/dbraw/zinc/26/51/94/212265194.db2.gz NZHJHEBYCBQWQZ-AWEZNQCLSA-N 2 2 302.447 2.974 50 0 DFAALP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3cscn3)C1)CCCC2 ZINC000275311241 212265197 /nfs/dbraw/zinc/26/51/97/212265197.db2.gz NZHJHEBYCBQWQZ-AWEZNQCLSA-N 2 2 302.447 2.974 50 0 DFAALP COc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1OC ZINC000093597646 193272201 /nfs/dbraw/zinc/27/22/01/193272201.db2.gz DMUHFOBMZWGKMP-OAHLLOKOSA-N 2 2 304.434 2.622 50 0 DFAALP COc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1OC ZINC000093597646 193272203 /nfs/dbraw/zinc/27/22/03/193272203.db2.gz DMUHFOBMZWGKMP-OAHLLOKOSA-N 2 2 304.434 2.622 50 0 DFAALP c1cn(-c2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)cc2)c[nH+]1 ZINC000022770324 182333890 /nfs/dbraw/zinc/33/38/90/182333890.db2.gz KCMKLSSRKOOUFV-UHFFFAOYSA-N 2 2 307.353 2.891 50 0 DFAALP c1cn(-c2ccc(C[NH2+]CCc3ccc4c(c3)OCO4)cc2)c[nH+]1 ZINC000024778732 182390426 /nfs/dbraw/zinc/39/04/26/182390426.db2.gz FGOPLYNJSXVVON-UHFFFAOYSA-N 2 2 321.380 2.933 50 0 DFAALP C[NH2+]CCC[NH2+]Cc1cc(Cl)cc(OC)c1OC(C)C ZINC000040719561 183123348 /nfs/dbraw/zinc/12/33/48/183123348.db2.gz XMNMBSHEQYUANT-UHFFFAOYSA-N 2 2 300.830 2.835 50 0 DFAALP C[N@@H+]1CCC[C@@](O)(C[NH+](Cc2ccco2)Cc2cccs2)C1 ZINC000041124046 183168834 /nfs/dbraw/zinc/16/88/34/183168834.db2.gz RPHIJHNSNDBLBD-KRWDZBQOSA-N 2 2 320.458 2.800 50 0 DFAALP C[N@H+]1CCC[C@@](O)(C[NH+](Cc2ccco2)Cc2cccs2)C1 ZINC000041124046 183168835 /nfs/dbraw/zinc/16/88/35/183168835.db2.gz RPHIJHNSNDBLBD-KRWDZBQOSA-N 2 2 320.458 2.800 50 0 DFAALP C[NH+]1CCC[C@@](O)(C[N@H+](Cc2ccco2)Cc2cccs2)C1 ZINC000041124046 183168836 /nfs/dbraw/zinc/16/88/36/183168836.db2.gz RPHIJHNSNDBLBD-KRWDZBQOSA-N 2 2 320.458 2.800 50 0 DFAALP C[NH+]1CCC[C@@](O)(C[N@@H+](Cc2ccco2)Cc2cccs2)C1 ZINC000041124046 183168837 /nfs/dbraw/zinc/16/88/37/183168837.db2.gz RPHIJHNSNDBLBD-KRWDZBQOSA-N 2 2 320.458 2.800 50 0 DFAALP COc1cc(C)ccc1OCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000065426549 184342687 /nfs/dbraw/zinc/34/26/87/184342687.db2.gz WKIASIYGDUFKOF-UHFFFAOYSA-N 2 2 318.461 2.943 50 0 DFAALP Cc1cccnc1C[N@@H+](C)C1CC[NH+](Cc2cccnc2)CC1 ZINC000065404345 184337918 /nfs/dbraw/zinc/33/79/18/184337918.db2.gz YOCBABNUVLITMX-UHFFFAOYSA-N 2 2 310.445 2.881 50 0 DFAALP Cc1cccnc1C[N@H+](C)C1CC[NH+](Cc2cccnc2)CC1 ZINC000065404345 184337919 /nfs/dbraw/zinc/33/79/19/184337919.db2.gz YOCBABNUVLITMX-UHFFFAOYSA-N 2 2 310.445 2.881 50 0 DFAALP CC(C)[N@H+](C)Cc1ccccc1CNc1[nH+]cnc2c1cnn2C ZINC000052243874 425884040 /nfs/dbraw/zinc/88/40/40/425884040.db2.gz DDKIKNUVHLUURO-UHFFFAOYSA-N 2 2 324.432 2.816 50 0 DFAALP CC(C)[N@@H+](C)Cc1ccccc1CNc1[nH+]cnc2c1cnn2C ZINC000052243874 425884041 /nfs/dbraw/zinc/88/40/41/425884041.db2.gz DDKIKNUVHLUURO-UHFFFAOYSA-N 2 2 324.432 2.816 50 0 DFAALP CN(Cc1cccc(Cl)c1)c1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000222909979 542884155 /nfs/dbraw/zinc/88/41/55/542884155.db2.gz NJJILAYJPBODDO-UHFFFAOYSA-N 2 2 317.824 2.553 50 0 DFAALP CCCC[N@@H+]1CCn2nc(CNc3nc[nH+]c(C)c3C)cc2C1 ZINC000299759587 543044155 /nfs/dbraw/zinc/04/41/55/543044155.db2.gz UYAZDAWCAPTKGE-UHFFFAOYSA-N 2 2 314.437 2.518 50 0 DFAALP CCCC[N@H+]1CCn2nc(CNc3nc[nH+]c(C)c3C)cc2C1 ZINC000299759587 543044159 /nfs/dbraw/zinc/04/41/59/543044159.db2.gz UYAZDAWCAPTKGE-UHFFFAOYSA-N 2 2 314.437 2.518 50 0 DFAALP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCc3nc4ccccc4[nH]3)C2)cc1 ZINC000067491002 425911038 /nfs/dbraw/zinc/91/10/38/425911038.db2.gz PCVKHADUJUIQHA-KRWDZBQOSA-N 2 2 320.440 2.970 50 0 DFAALP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCc3nc4ccccc4[nH]3)C2)cc1 ZINC000067491002 425911039 /nfs/dbraw/zinc/91/10/39/425911039.db2.gz PCVKHADUJUIQHA-KRWDZBQOSA-N 2 2 320.440 2.970 50 0 DFAALP CN(C)c1cc(NC(=O)C[NH+]2CCCCC2)c2ccccc2[nH+]1 ZINC000000171273 425541390 /nfs/dbraw/zinc/54/13/90/425541390.db2.gz MMTUANKPTXXZKM-UHFFFAOYSA-N 2 2 312.417 2.725 50 0 DFAALP c1cn(CCCNc2[nH+]cnc3c2cnn3-c2ccccc2)c[nH+]1 ZINC000005595112 425626188 /nfs/dbraw/zinc/62/61/88/425626188.db2.gz KFSYMVJSRNLMDL-UHFFFAOYSA-N 2 2 319.372 2.514 50 0 DFAALP c1cn(-c2ccc(C[N@H+]3CCCC[C@@H]3Cn3cncn3)cc2)c[nH+]1 ZINC000071876255 425997892 /nfs/dbraw/zinc/99/78/92/425997892.db2.gz VNPUYMRKDIFKAD-GOSISDBHSA-N 2 2 322.416 2.519 50 0 DFAALP c1cn(-c2ccc(C[N@@H+]3CCCC[C@@H]3Cn3cncn3)cc2)c[nH+]1 ZINC000071876255 425997894 /nfs/dbraw/zinc/99/78/94/425997894.db2.gz VNPUYMRKDIFKAD-GOSISDBHSA-N 2 2 322.416 2.519 50 0 DFAALP C[C@H](c1nc(-c2cccnc2)no1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000071904332 426002359 /nfs/dbraw/zinc/00/23/59/426002359.db2.gz JBHONFBSILCYPT-CYBMUJFWSA-N 2 2 324.388 2.726 50 0 DFAALP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069655348 425951590 /nfs/dbraw/zinc/95/15/90/425951590.db2.gz NYEGOIAETBTSOO-QGZVFWFLSA-N 2 2 321.384 2.546 50 0 DFAALP O[C@@]1(C[NH+]2CCCC2)CCC[N@H+](Cc2ccc3occc3c2)C1 ZINC000077288017 426126047 /nfs/dbraw/zinc/12/60/47/426126047.db2.gz YCGIJDXYZMYTQL-LJQANCHMSA-N 2 2 314.429 2.856 50 0 DFAALP O[C@@]1(C[NH+]2CCCC2)CCC[N@@H+](Cc2ccc3occc3c2)C1 ZINC000077288017 426126051 /nfs/dbraw/zinc/12/60/51/426126051.db2.gz YCGIJDXYZMYTQL-LJQANCHMSA-N 2 2 314.429 2.856 50 0 DFAALP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1c1nc(C(C)C)no1 ZINC000077406885 426131663 /nfs/dbraw/zinc/13/16/63/426131663.db2.gz MRGJEAUIDPYCBQ-AWEZNQCLSA-N 2 2 303.410 2.925 50 0 DFAALP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1c1nc(C(C)C)no1 ZINC000077406885 426131667 /nfs/dbraw/zinc/13/16/67/426131667.db2.gz MRGJEAUIDPYCBQ-AWEZNQCLSA-N 2 2 303.410 2.925 50 0 DFAALP COC(=O)c1oc([C@@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)cc1C ZINC000089606818 426299117 /nfs/dbraw/zinc/29/91/17/426299117.db2.gz MZYMGNYCVDXWES-CYBMUJFWSA-N 2 2 317.389 2.969 50 0 DFAALP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cnn(C(C)(C)C)c1)CCC2 ZINC000089702144 426303284 /nfs/dbraw/zinc/30/32/84/426303284.db2.gz MOIBBKKLZXIKCN-HNNXBMFYSA-N 2 2 301.438 2.810 50 0 DFAALP Cc1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)s1 ZINC000121201766 426324386 /nfs/dbraw/zinc/32/43/86/426324386.db2.gz PLANSXZRFIATGE-UHFFFAOYSA-N 2 2 318.490 2.849 50 0 DFAALP Cc1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)s1 ZINC000121201766 426324388 /nfs/dbraw/zinc/32/43/88/426324388.db2.gz PLANSXZRFIATGE-UHFFFAOYSA-N 2 2 318.490 2.849 50 0 DFAALP COC(=O)c1sccc1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000095981731 426382178 /nfs/dbraw/zinc/38/21/78/426382178.db2.gz LRANPBAGKDBPDV-JSGCOSHPSA-N 2 2 319.430 2.814 50 0 DFAALP COC(=O)c1sccc1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000095981731 426382180 /nfs/dbraw/zinc/38/21/80/426382180.db2.gz LRANPBAGKDBPDV-JSGCOSHPSA-N 2 2 319.430 2.814 50 0 DFAALP CCO[C@H]1C[C@H]([NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)C1(C)C ZINC000096493372 426435324 /nfs/dbraw/zinc/43/53/24/426435324.db2.gz RQEQJYFYRTYPTO-GJZGRUSLSA-N 2 2 300.406 2.561 50 0 DFAALP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(F)ccc2Br)C1 ZINC000097047684 426443203 /nfs/dbraw/zinc/44/32/03/426443203.db2.gz QLYPAJBOTYVLMR-NXEZZACHSA-N 2 2 301.203 2.757 50 0 DFAALP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(F)ccc2Br)C1 ZINC000097047684 426443204 /nfs/dbraw/zinc/44/32/04/426443204.db2.gz QLYPAJBOTYVLMR-NXEZZACHSA-N 2 2 301.203 2.757 50 0 DFAALP OC1C[NH+](Cc2ccccc2OCCCC[NH+]2CCCCC2)C1 ZINC000215502245 426554454 /nfs/dbraw/zinc/55/44/54/426554454.db2.gz JCFHRTFVJFTMGC-UHFFFAOYSA-N 2 2 318.461 2.508 50 0 DFAALP c1cn(CCCOc2ccc(C[NH+]3CCSCC3)cc2)c[nH+]1 ZINC000215397175 426552231 /nfs/dbraw/zinc/55/22/31/426552231.db2.gz NRUKYDJCIDIBQD-UHFFFAOYSA-N 2 2 317.458 2.901 50 0 DFAALP Cc1cc(C)c(C[NH+]2CCC(C)CC2)cc1C[NH+]1CC(O)C1 ZINC000215434012 426552822 /nfs/dbraw/zinc/55/28/22/426552822.db2.gz ZOPAKCCZFWEYQR-UHFFFAOYSA-N 2 2 302.462 2.712 50 0 DFAALP Cc1cccc(-c2ncc(C[N@H+](C)CCn3cc[nH+]c3)cn2)c1 ZINC000215309006 426553696 /nfs/dbraw/zinc/55/36/96/426553696.db2.gz CYAKXYSBGZYSBA-UHFFFAOYSA-N 2 2 307.401 2.781 50 0 DFAALP Cc1cccc(-c2ncc(C[N@@H+](C)CCn3cc[nH+]c3)cn2)c1 ZINC000215309006 426553703 /nfs/dbraw/zinc/55/37/03/426553703.db2.gz CYAKXYSBGZYSBA-UHFFFAOYSA-N 2 2 307.401 2.781 50 0 DFAALP Cc1csc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)n1 ZINC000190486373 427125209 /nfs/dbraw/zinc/12/52/09/427125209.db2.gz QABLHXMIPKWQRO-INIZCTEOSA-N 2 2 316.474 2.800 50 0 DFAALP Cc1csc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)n1 ZINC000190486373 427125217 /nfs/dbraw/zinc/12/52/17/427125217.db2.gz QABLHXMIPKWQRO-INIZCTEOSA-N 2 2 316.474 2.800 50 0 DFAALP Cc1csc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)n1 ZINC000190486373 427125222 /nfs/dbraw/zinc/12/52/22/427125222.db2.gz QABLHXMIPKWQRO-INIZCTEOSA-N 2 2 316.474 2.800 50 0 DFAALP Cc1csc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)n1 ZINC000190486373 427125228 /nfs/dbraw/zinc/12/52/28/427125228.db2.gz QABLHXMIPKWQRO-INIZCTEOSA-N 2 2 316.474 2.800 50 0 DFAALP CCCc1c[nH+]c(C)nc1N1CCC([NH+]2CCSCC2)CC1 ZINC000095502726 185374942 /nfs/dbraw/zinc/37/49/42/185374942.db2.gz VMCOEGYRGRGCHN-UHFFFAOYSA-N 2 2 320.506 2.755 50 0 DFAALP Cc1cc[nH+]cc1CCC[NH+]1CCN(Cc2ccncc2)CC1 ZINC000225425672 201706524 /nfs/dbraw/zinc/70/65/24/201706524.db2.gz IFAGATHXZDXYSZ-UHFFFAOYSA-N 2 2 310.445 2.535 50 0 DFAALP O[C@H](C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccc(F)cc1 ZINC000225343014 398348067 /nfs/dbraw/zinc/34/80/67/398348067.db2.gz KNENPSDASRINBO-RHSMWYFYSA-N 2 2 315.392 2.688 50 0 DFAALP O[C@H](C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccc(F)cc1 ZINC000225343014 398348072 /nfs/dbraw/zinc/34/80/72/398348072.db2.gz KNENPSDASRINBO-RHSMWYFYSA-N 2 2 315.392 2.688 50 0 DFAALP C/C=C(\C)C[NH+]1CCC(c2nnc(C[NH+](C)C)n2C2CC2)CC1 ZINC000082136958 192361006 /nfs/dbraw/zinc/36/10/06/192361006.db2.gz UGYONFPVSXPJAE-LHHJGKSTSA-N 2 2 317.481 2.820 50 0 DFAALP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCc3[nH+]c(C)cn3C2)C12CCCC2 ZINC000252486588 398419232 /nfs/dbraw/zinc/41/92/32/398419232.db2.gz LZGUFXHAHGLLLM-HRCADAONSA-N 2 2 303.450 2.834 50 0 DFAALP CN(Cc1[nH]cc[nH+]1)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000328645184 530025959 /nfs/dbraw/zinc/02/59/59/530025959.db2.gz SBYGJGKBYFTTMN-STQMWFEESA-N 2 2 308.426 2.516 50 0 DFAALP CN(Cc1[nH]cc[nH+]1)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000328645184 530025960 /nfs/dbraw/zinc/02/59/60/530025960.db2.gz SBYGJGKBYFTTMN-STQMWFEESA-N 2 2 308.426 2.516 50 0 DFAALP CCc1ccc(NC(=O)[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000003454005 181022148 /nfs/dbraw/zinc/02/21/48/181022148.db2.gz ZARLNPABJHYJHQ-AWEZNQCLSA-N 2 2 305.466 2.753 50 0 DFAALP Cc1c(C)n(Cc2ccco2)c2nc[nH+]c(NCC[NH+](C)C)c12 ZINC000005270898 181225154 /nfs/dbraw/zinc/22/51/54/181225154.db2.gz PFNOUDCJFGPYAA-UHFFFAOYSA-N 2 2 313.405 2.663 50 0 DFAALP OC1(C[NH+]2CCN(c3cc[nH+]cc3Cl)CC2)CCCCC1 ZINC000162479457 398983627 /nfs/dbraw/zinc/98/36/27/398983627.db2.gz RODKJGKMHFBIBA-UHFFFAOYSA-N 2 2 309.841 2.552 50 0 DFAALP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1CCC2(CC1)OCCO2 ZINC000170607092 399010506 /nfs/dbraw/zinc/01/05/06/399010506.db2.gz XPTBPNNQGOHUKS-MSOLQXFVSA-N 2 2 322.493 2.868 50 0 DFAALP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1CCC2(CC1)OCCO2 ZINC000170607092 399010511 /nfs/dbraw/zinc/01/05/11/399010511.db2.gz XPTBPNNQGOHUKS-MSOLQXFVSA-N 2 2 322.493 2.868 50 0 DFAALP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCC2(CC1)OCCO2 ZINC000170607092 399010517 /nfs/dbraw/zinc/01/05/17/399010517.db2.gz XPTBPNNQGOHUKS-MSOLQXFVSA-N 2 2 322.493 2.868 50 0 DFAALP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCC2(CC1)OCCO2 ZINC000170607092 399010523 /nfs/dbraw/zinc/01/05/23/399010523.db2.gz XPTBPNNQGOHUKS-MSOLQXFVSA-N 2 2 322.493 2.868 50 0 DFAALP C[C@H]1C[NH+](C2CC[NH+](Cc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000019889908 182160801 /nfs/dbraw/zinc/16/08/01/182160801.db2.gz LAZNVXWGHHPATP-GJZGRUSLSA-N 2 2 306.425 2.899 50 0 DFAALP C[NH+]1CCN(C2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000019889825 182161089 /nfs/dbraw/zinc/16/10/89/182161089.db2.gz KFNQCUVGLLVHHF-UHFFFAOYSA-N 2 2 307.869 2.552 50 0 DFAALP c1cnn(-c2ccc(C[NH2+]CCc3cn4c([nH+]3)CCCC4)cc2)c1 ZINC000097731769 193751017 /nfs/dbraw/zinc/75/10/17/193751017.db2.gz QIRJNDDAYKWYNV-UHFFFAOYSA-N 2 2 321.428 2.737 50 0 DFAALP CCCOc1c(C[NH2+]CCC[NH2+]C)cc(Cl)cc1OC ZINC000040719438 183123970 /nfs/dbraw/zinc/12/39/70/183123970.db2.gz VGSAHSKKNKLXHB-UHFFFAOYSA-N 2 2 300.830 2.837 50 0 DFAALP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(C(=O)OC)o2)C1 ZINC000105896282 194163384 /nfs/dbraw/zinc/16/33/84/194163384.db2.gz GZGNGYGYNQLEMQ-ZDUSSCGKSA-N 2 2 317.389 2.662 50 0 DFAALP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(C(=O)OC)o2)C1 ZINC000105896282 194163387 /nfs/dbraw/zinc/16/33/87/194163387.db2.gz GZGNGYGYNQLEMQ-ZDUSSCGKSA-N 2 2 317.389 2.662 50 0 DFAALP C[C@H](Cn1cc[nH+]c1)[NH2+]CC1(c2cccc(F)c2)CCOCC1 ZINC000067742394 542460562 /nfs/dbraw/zinc/46/05/62/542460562.db2.gz SYGFBNXOOQMNNE-OAHLLOKOSA-N 2 2 317.408 2.749 50 0 DFAALP CN(C)c1nc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)cc[nH+]1 ZINC000408512960 257255898 /nfs/dbraw/zinc/25/58/98/257255898.db2.gz GXTUNVDFLBAECN-UHFFFAOYSA-N 2 2 322.416 2.803 50 0 DFAALP O[C@H](C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1)c1ccccc1 ZINC000299749903 229393384 /nfs/dbraw/zinc/39/33/84/229393384.db2.gz LZLJUUHLYUCBRS-QFBILLFUSA-N 2 2 311.429 2.742 50 0 DFAALP O[C@H](C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1)c1ccccc1 ZINC000299749903 229393388 /nfs/dbraw/zinc/39/33/88/229393388.db2.gz LZLJUUHLYUCBRS-QFBILLFUSA-N 2 2 311.429 2.742 50 0 DFAALP c1ccc(C[NH+]2CCC([N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)CC2)cc1 ZINC000067947622 425914835 /nfs/dbraw/zinc/91/48/35/425914835.db2.gz UJBGGBGNLADJCH-HXUWFJFHSA-N 3 2 313.489 2.727 50 0 DFAALP c1ccc(C[NH+]2CCC([N@H+]3CC[C@]4(C3)CCC[NH2+]C4)CC2)cc1 ZINC000067947622 425914836 /nfs/dbraw/zinc/91/48/36/425914836.db2.gz UJBGGBGNLADJCH-HXUWFJFHSA-N 3 2 313.489 2.727 50 0 DFAALP Cc1n[nH]c(C)c1C[N@H+](C)C[C@@H]1CCC[NH+](Cc2ccco2)C1 ZINC000019745177 425789702 /nfs/dbraw/zinc/78/97/02/425789702.db2.gz RFCUGATYFFEWCN-INIZCTEOSA-N 2 2 316.449 2.964 50 0 DFAALP Cc1n[nH]c(C)c1C[N@@H+](C)C[C@@H]1CCC[NH+](Cc2ccco2)C1 ZINC000019745177 425789706 /nfs/dbraw/zinc/78/97/06/425789706.db2.gz RFCUGATYFFEWCN-INIZCTEOSA-N 2 2 316.449 2.964 50 0 DFAALP Cc1n[nH]c(C)c1C[NH+](C)C[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000019745177 425789708 /nfs/dbraw/zinc/78/97/08/425789708.db2.gz RFCUGATYFFEWCN-INIZCTEOSA-N 2 2 316.449 2.964 50 0 DFAALP Cc1n[nH]c(C)c1C[NH+](C)C[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000019745177 425789711 /nfs/dbraw/zinc/78/97/11/425789711.db2.gz RFCUGATYFFEWCN-INIZCTEOSA-N 2 2 316.449 2.964 50 0 DFAALP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000013694379 425760991 /nfs/dbraw/zinc/76/09/91/425760991.db2.gz BOOCEEXEHWJHIH-UHFFFAOYSA-N 2 2 324.350 2.761 50 0 DFAALP CC(C)[N@@H+]1CCC[C@H]1c1nc(-c2ccc(-n3cc[nH+]c3)nc2)no1 ZINC000035425788 425844240 /nfs/dbraw/zinc/84/42/40/425844240.db2.gz JDWXDJRXGVRGJY-AWEZNQCLSA-N 2 2 324.388 2.863 50 0 biogenic,in-vitro DFAALP CC(C)[N@H+]1CCC[C@H]1c1nc(-c2ccc(-n3cc[nH+]c3)nc2)no1 ZINC000035425788 425844241 /nfs/dbraw/zinc/84/42/41/425844241.db2.gz JDWXDJRXGVRGJY-AWEZNQCLSA-N 2 2 324.388 2.863 50 0 biogenic,in-vitro DFAALP CC(C)([NH3+])C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000040926048 425851601 /nfs/dbraw/zinc/85/16/01/425851601.db2.gz WKMXFFIEQUXKPE-UHFFFAOYSA-N 2 2 301.356 2.565 50 0 DFAALP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]Cc3cccs3)c2cc1C ZINC000048230457 425873844 /nfs/dbraw/zinc/87/38/44/425873844.db2.gz AADFPDYNUNYZRA-AWEZNQCLSA-N 2 2 315.442 2.865 50 0 DFAALP C[C@@H](c1nc(-c2cccnc2)no1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000071904331 426002384 /nfs/dbraw/zinc/00/23/84/426002384.db2.gz JBHONFBSILCYPT-ZDUSSCGKSA-N 2 2 324.388 2.726 50 0 DFAALP C[C@@H]1C[N@@H+](C2CC[NH+](CCSc3ccccc3)CC2)CCO1 ZINC000071910669 426002998 /nfs/dbraw/zinc/00/29/98/426002998.db2.gz ZMZBGOVNGBNARY-MRXNPFEDSA-N 2 2 320.502 2.964 50 0 DFAALP C[C@@H]1C[N@H+](C2CC[NH+](CCSc3ccccc3)CC2)CCO1 ZINC000071910669 426002999 /nfs/dbraw/zinc/00/29/99/426002999.db2.gz ZMZBGOVNGBNARY-MRXNPFEDSA-N 2 2 320.502 2.964 50 0 DFAALP C[C@@H]1C[C@@H](NC[C@@H](c2ccco2)[NH+]2CCCC2)C[N@@H+]1C1CC1 ZINC000075110881 426062351 /nfs/dbraw/zinc/06/23/51/426062351.db2.gz LVJHWRDJJGFDJF-INMHGKMJSA-N 2 2 303.450 2.631 50 0 DFAALP C[C@@H]1C[C@@H](NC[C@@H](c2ccco2)[NH+]2CCCC2)C[N@H+]1C1CC1 ZINC000075110881 426062354 /nfs/dbraw/zinc/06/23/54/426062354.db2.gz LVJHWRDJJGFDJF-INMHGKMJSA-N 2 2 303.450 2.631 50 0 DFAALP CC1CCC([NH2+]C[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000089798953 426309977 /nfs/dbraw/zinc/30/99/77/426309977.db2.gz FAJGGXYGGWMBIT-SOTJZCEJSA-N 2 2 302.462 2.790 50 0 DFAALP CC1CCC([NH2+]C[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000089798953 426309980 /nfs/dbraw/zinc/30/99/80/426309980.db2.gz FAJGGXYGGWMBIT-SOTJZCEJSA-N 2 2 302.462 2.790 50 0 DFAALP CCS[C@H](C)c1noc(C[N@H+](C)CCCn2cc[nH+]c2)n1 ZINC000089274819 426285103 /nfs/dbraw/zinc/28/51/03/426285103.db2.gz YBIDHNGMCCVASZ-GFCCVEGCSA-N 2 2 309.439 2.602 50 0 DFAALP CCS[C@H](C)c1noc(C[N@@H+](C)CCCn2cc[nH+]c2)n1 ZINC000089274819 426285106 /nfs/dbraw/zinc/28/51/06/426285106.db2.gz YBIDHNGMCCVASZ-GFCCVEGCSA-N 2 2 309.439 2.602 50 0 DFAALP C[C@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@H](C)[NH2+]1 ZINC000153262442 426378728 /nfs/dbraw/zinc/37/87/28/426378728.db2.gz UPWWZCMEZXBGCA-KBPBESRZSA-N 2 2 311.385 2.696 50 0 DFAALP COc1ccc(C[NH+]2CCN(c3cccc(C)[nH+]3)CC2)cc1F ZINC000095968530 426379395 /nfs/dbraw/zinc/37/93/95/426379395.db2.gz MGRMZOSHKNROOM-UHFFFAOYSA-N 2 2 315.392 2.860 50 0 DFAALP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(F)ccc2Br)C1 ZINC000097047685 426443225 /nfs/dbraw/zinc/44/32/25/426443225.db2.gz QLYPAJBOTYVLMR-UWVGGRQHSA-N 2 2 301.203 2.757 50 0 DFAALP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(F)ccc2Br)C1 ZINC000097047685 426443227 /nfs/dbraw/zinc/44/32/27/426443227.db2.gz QLYPAJBOTYVLMR-UWVGGRQHSA-N 2 2 301.203 2.757 50 0 DFAALP Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc[nH+]1 ZINC000189753879 426942185 /nfs/dbraw/zinc/94/21/85/426942185.db2.gz ANHSCVCCYGHMIS-IAGOWNOFSA-N 2 2 310.401 2.957 50 0 DFAALP Cc1cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc[nH+]1 ZINC000189753879 426942191 /nfs/dbraw/zinc/94/21/91/426942191.db2.gz ANHSCVCCYGHMIS-IAGOWNOFSA-N 2 2 310.401 2.957 50 0 DFAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000095526849 276785554 /nfs/dbraw/zinc/78/55/54/276785554.db2.gz JFSSYYHJZDLLRN-INIZCTEOSA-N 3 2 313.449 2.614 50 0 DFAALP CCn1c(C)nnc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000097238520 323209628 /nfs/dbraw/zinc/20/96/28/323209628.db2.gz CAQOIQAZYOSYSC-ZDUSSCGKSA-N 2 2 324.432 2.951 50 0 DFAALP CCCn1cc[nH+]c1CNC(=O)[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000092028458 332117831 /nfs/dbraw/zinc/11/78/31/332117831.db2.gz OHLALQPFXDXANI-KRWDZBQOSA-N 2 2 314.433 2.521 50 0 DFAALP C[N@H+]1CCC[C@@H]1CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000000757256 398346401 /nfs/dbraw/zinc/34/64/01/398346401.db2.gz MWRGHCWYMGERLO-HXUWFJFHSA-N 3 2 315.505 2.767 50 0 DFAALP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cnc3c(C)cccn13)CCC2 ZINC000095402067 185354568 /nfs/dbraw/zinc/35/45/68/185354568.db2.gz GSSIDYWPWWJXQD-HNNXBMFYSA-N 2 2 309.417 2.815 50 0 DFAALP c1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc(N2CCCCCC2)n1 ZINC000095422136 185360789 /nfs/dbraw/zinc/36/07/89/185360789.db2.gz BWFKVOSMTNUMMC-KRWDZBQOSA-N 2 2 314.477 2.788 50 0 DFAALP c1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc(N2CCCCCC2)n1 ZINC000095422136 185360790 /nfs/dbraw/zinc/36/07/90/185360790.db2.gz BWFKVOSMTNUMMC-KRWDZBQOSA-N 2 2 314.477 2.788 50 0 DFAALP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3[nH+]ccn32)[C@@H]1c1cccnc1 ZINC000328654785 529794055 /nfs/dbraw/zinc/79/40/55/529794055.db2.gz XUXMSNBHMZAVEC-LPHOPBHVSA-N 3 2 321.428 2.512 50 0 DFAALP C[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3[nH+]ccn32)[C@@H]1c1cccnc1 ZINC000328654785 529794056 /nfs/dbraw/zinc/79/40/56/529794056.db2.gz XUXMSNBHMZAVEC-LPHOPBHVSA-N 3 2 321.428 2.512 50 0 DFAALP Cc1nc2sccn2c1C[N@@H+]1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000072133267 191045707 /nfs/dbraw/zinc/04/57/07/191045707.db2.gz JUVVVWXLEWZIJV-CQSZACIVSA-N 2 2 315.446 2.813 50 0 DFAALP Cc1nc2sccn2c1C[N@H+]1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000072133267 191045710 /nfs/dbraw/zinc/04/57/10/191045710.db2.gz JUVVVWXLEWZIJV-CQSZACIVSA-N 2 2 315.446 2.813 50 0 DFAALP O[C@H]1CCC[N@@H+](C2CC[NH+](CCSc3ccccc3)CC2)C1 ZINC000072167691 191066336 /nfs/dbraw/zinc/06/63/36/191066336.db2.gz ZSEQAPFQHOIPCZ-KRWDZBQOSA-N 2 2 320.502 2.700 50 0 DFAALP O[C@H]1CCC[N@H+](C2CC[NH+](CCSc3ccccc3)CC2)C1 ZINC000072167691 191066339 /nfs/dbraw/zinc/06/63/39/191066339.db2.gz ZSEQAPFQHOIPCZ-KRWDZBQOSA-N 2 2 320.502 2.700 50 0 DFAALP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000225604125 186282222 /nfs/dbraw/zinc/28/22/22/186282222.db2.gz IRBIDUFRAOKIIE-AWEZNQCLSA-N 2 2 302.447 2.805 50 0 DFAALP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000225604125 186282224 /nfs/dbraw/zinc/28/22/24/186282224.db2.gz IRBIDUFRAOKIIE-AWEZNQCLSA-N 2 2 302.447 2.805 50 0 DFAALP C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072304907 191116663 /nfs/dbraw/zinc/11/66/63/191116663.db2.gz KQQOOWWYOKGORK-IKJBURDNSA-N 2 2 323.525 2.876 50 0 DFAALP C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072304907 191116666 /nfs/dbraw/zinc/11/66/66/191116666.db2.gz KQQOOWWYOKGORK-IKJBURDNSA-N 2 2 323.525 2.876 50 0 DFAALP C[C@@H](C(=O)NC1CCC(C)CC1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000072304907 191116667 /nfs/dbraw/zinc/11/66/67/191116667.db2.gz KQQOOWWYOKGORK-IKJBURDNSA-N 2 2 323.525 2.876 50 0 DFAALP C[C@@H](C(=O)NC1CCC(C)CC1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000072304907 191116670 /nfs/dbraw/zinc/11/66/70/191116670.db2.gz KQQOOWWYOKGORK-IKJBURDNSA-N 2 2 323.525 2.876 50 0 DFAALP O[C@@H](C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1F ZINC000097200666 398664539 /nfs/dbraw/zinc/66/45/39/398664539.db2.gz FPSLOCIIMRDWCA-PBHICJAKSA-N 2 2 315.392 2.688 50 0 DFAALP O[C@@H](C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1F ZINC000097200666 398664542 /nfs/dbraw/zinc/66/45/42/398664542.db2.gz FPSLOCIIMRDWCA-PBHICJAKSA-N 2 2 315.392 2.688 50 0 DFAALP Cc1cccc(N2CCC([NH2+][C@H]3C[N@H+](C(C)C)C[C@H]3C)CC2)[nH+]1 ZINC000110687751 398723739 /nfs/dbraw/zinc/72/37/39/398723739.db2.gz IIWXNRHDSOHGAU-QAPCUYQASA-N 3 2 316.493 2.677 50 0 DFAALP Cc1cccc(N2CCC([NH2+][C@H]3C[N@@H+](C(C)C)C[C@H]3C)CC2)[nH+]1 ZINC000110687751 398723740 /nfs/dbraw/zinc/72/37/40/398723740.db2.gz IIWXNRHDSOHGAU-QAPCUYQASA-N 3 2 316.493 2.677 50 0 DFAALP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2cccc3cc[nH]c32)CCO1 ZINC000275359178 212290513 /nfs/dbraw/zinc/29/05/13/212290513.db2.gz ASWSWAZOWCNEIS-RDJZCZTQSA-N 2 2 310.401 2.911 50 0 DFAALP Cc1ccc(C[N@H+]2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)c(F)c1 ZINC000091914860 193125712 /nfs/dbraw/zinc/12/57/12/193125712.db2.gz FTXBXTKACCCUQG-AEFFLSMTSA-N 2 2 308.441 2.659 50 0 DFAALP Cc1ccc(C[N@@H+]2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)c(F)c1 ZINC000091914860 193125713 /nfs/dbraw/zinc/12/57/13/193125713.db2.gz FTXBXTKACCCUQG-AEFFLSMTSA-N 2 2 308.441 2.659 50 0 DFAALP COC(=O)c1ccccc1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000091959657 193132064 /nfs/dbraw/zinc/13/20/64/193132064.db2.gz KNJZWOBEKLFZMC-PBHICJAKSA-N 2 2 313.401 2.753 50 0 DFAALP COC(=O)c1ccccc1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000091959657 193132066 /nfs/dbraw/zinc/13/20/66/193132066.db2.gz KNJZWOBEKLFZMC-PBHICJAKSA-N 2 2 313.401 2.753 50 0 DFAALP CC(C)n1nc(C[NH2+]CCC[NH+](C)C)c(-c2ccccc2)n1 ZINC000261492024 203071869 /nfs/dbraw/zinc/07/18/69/203071869.db2.gz PVBPDOUJTKRNRP-UHFFFAOYSA-N 2 2 301.438 2.567 50 0 DFAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1C(C)C ZINC000022041628 182305388 /nfs/dbraw/zinc/30/53/88/182305388.db2.gz HAHPTMDDSGHXQD-SJORKVTESA-N 2 2 320.477 2.624 50 0 DFAALP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1C(C)C ZINC000022041628 182305389 /nfs/dbraw/zinc/30/53/89/182305389.db2.gz HAHPTMDDSGHXQD-SJORKVTESA-N 2 2 320.477 2.624 50 0 DFAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1C(C)C ZINC000022924044 182341432 /nfs/dbraw/zinc/34/14/32/182341432.db2.gz HAHPTMDDSGHXQD-IAGOWNOFSA-N 2 2 320.477 2.624 50 0 DFAALP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1C(C)C ZINC000022924044 182341434 /nfs/dbraw/zinc/34/14/34/182341434.db2.gz HAHPTMDDSGHXQD-IAGOWNOFSA-N 2 2 320.477 2.624 50 0 DFAALP Cc1[nH+]c2ccccc2n1C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000058137172 184079935 /nfs/dbraw/zinc/07/99/35/184079935.db2.gz MUDANPLNCNGAEN-SFHVURJKSA-N 2 2 321.424 2.764 50 0 DFAALP Cc1[nH+]c2ccccc2n1C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000058137172 184079936 /nfs/dbraw/zinc/07/99/36/184079936.db2.gz MUDANPLNCNGAEN-SFHVURJKSA-N 2 2 321.424 2.764 50 0 DFAALP CC(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CC[NH+]1CCCCCCC1 ZINC000063856438 184289990 /nfs/dbraw/zinc/28/99/90/184289990.db2.gz RHUFGPJYKLRYOU-QGZVFWFLSA-N 2 2 320.481 2.680 50 0 DFAALP CCn1c[nH+]cc1CNC(=O)C1([NH+]2CCCCC2)CCCCC1 ZINC000065451746 184346825 /nfs/dbraw/zinc/34/68/25/184346825.db2.gz XMBGKLDQRVWPRN-UHFFFAOYSA-N 2 2 318.465 2.708 50 0 DFAALP Cc1[nH+]ccn1C[C@@H](C)[NH2+]Cc1nc2cc(Cl)ccc2[nH]1 ZINC000067739513 542460006 /nfs/dbraw/zinc/46/00/06/542460006.db2.gz UHLBKXPGMIMHJE-SNVBAGLBSA-N 2 2 303.797 2.900 50 0 DFAALP Cc1[nH+]ccn1C[C@@H](C)[NH2+]Cc1nc2ccc(Cl)cc2[nH]1 ZINC000067739513 542460011 /nfs/dbraw/zinc/46/00/11/542460011.db2.gz UHLBKXPGMIMHJE-SNVBAGLBSA-N 2 2 303.797 2.900 50 0 DFAALP CC(C)=CC[N@H+]1CCC[C@@H](c2nnc(C[NH+]3CCCC3)n2C)C1 ZINC000426361282 257253222 /nfs/dbraw/zinc/25/32/22/257253222.db2.gz MEWKEYFIKWVFAG-MRXNPFEDSA-N 2 2 317.481 2.557 50 0 DFAALP CC(C)=CC[N@@H+]1CCC[C@@H](c2nnc(C[NH+]3CCCC3)n2C)C1 ZINC000426361282 257253223 /nfs/dbraw/zinc/25/32/23/257253223.db2.gz MEWKEYFIKWVFAG-MRXNPFEDSA-N 2 2 317.481 2.557 50 0 DFAALP CC[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1[nH]cc(C)[nH+]1 ZINC000426368266 257253448 /nfs/dbraw/zinc/25/34/48/257253448.db2.gz JJQCTTMFTXVHGA-OAHLLOKOSA-N 2 2 300.406 2.661 50 0 DFAALP COC(=O)c1ccccc1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246124531 146121713 /nfs/dbraw/zinc/12/17/13/146121713.db2.gz KNJZWOBEKLFZMC-WMLDXEAASA-N 2 2 313.401 2.753 50 0 DFAALP COC(=O)c1ccccc1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246124531 146121716 /nfs/dbraw/zinc/12/17/16/146121716.db2.gz KNJZWOBEKLFZMC-WMLDXEAASA-N 2 2 313.401 2.753 50 0 DFAALP CCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(-c3[nH]cc[nH+]3)c2)C1 ZINC000670441581 544041245 /nfs/dbraw/zinc/04/12/45/544041245.db2.gz FDCZDYRIYTTXNK-INIZCTEOSA-N 2 2 312.417 2.681 50 0 DFAALP CCC[N@H+]1CCC[C@H](NC(=O)c2cccc(-c3[nH]cc[nH+]3)c2)C1 ZINC000670441581 544041248 /nfs/dbraw/zinc/04/12/48/544041248.db2.gz FDCZDYRIYTTXNK-INIZCTEOSA-N 2 2 312.417 2.681 50 0 DFAALP C[N@@H+]1C[C@@H]2CCC[C@H]1C[NH+](Cc1ccccc1Cn1cccn1)C2 ZINC000670451560 544042674 /nfs/dbraw/zinc/04/26/74/544042674.db2.gz ILZCAEBLZYXPME-PXNSSMCTSA-N 2 2 324.472 2.848 50 0 DFAALP C[N@H+]1C[C@@H]2CCC[C@H]1C[NH+](Cc1ccccc1Cn1cccn1)C2 ZINC000670451560 544042677 /nfs/dbraw/zinc/04/26/77/544042677.db2.gz ILZCAEBLZYXPME-PXNSSMCTSA-N 2 2 324.472 2.848 50 0 DFAALP C[NH+]1C[C@@H]2CCC[C@H]1C[N@H+](Cc1ccccc1Cn1cccn1)C2 ZINC000670451560 544042680 /nfs/dbraw/zinc/04/26/80/544042680.db2.gz ILZCAEBLZYXPME-PXNSSMCTSA-N 2 2 324.472 2.848 50 0 DFAALP C[NH+]1C[C@@H]2CCC[C@H]1C[N@@H+](Cc1ccccc1Cn1cccn1)C2 ZINC000670451560 544042683 /nfs/dbraw/zinc/04/26/83/544042683.db2.gz ILZCAEBLZYXPME-PXNSSMCTSA-N 2 2 324.472 2.848 50 0 DFAALP COCc1ccc(C[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)o1 ZINC000299753616 229399857 /nfs/dbraw/zinc/39/98/57/229399857.db2.gz YUKUTNUDVXLQHH-CQSZACIVSA-N 2 2 315.417 2.948 50 0 DFAALP COCc1ccc(C[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)o1 ZINC000299753616 229399860 /nfs/dbraw/zinc/39/98/60/229399860.db2.gz YUKUTNUDVXLQHH-CQSZACIVSA-N 2 2 315.417 2.948 50 0 DFAALP O[C@@]1(C[NH2+]Cc2ccccc2Cl)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063845053 425901102 /nfs/dbraw/zinc/90/11/02/425901102.db2.gz JZBHOSCWJRIAOU-IAGOWNOFSA-N 2 2 308.853 2.809 50 0 DFAALP O[C@@]1(C[NH2+]Cc2ccccc2Cl)CCC[N@H+]2CCCC[C@@H]21 ZINC000063845053 425901103 /nfs/dbraw/zinc/90/11/03/425901103.db2.gz JZBHOSCWJRIAOU-IAGOWNOFSA-N 2 2 308.853 2.809 50 0 DFAALP c1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc2c1OCO2 ZINC000000200646 425545486 /nfs/dbraw/zinc/54/54/86/425545486.db2.gz MIDHOANJGBSUFC-UHFFFAOYSA-N 2 2 302.418 2.866 50 0 DFAALP CCOc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1OCC ZINC000010314067 425700158 /nfs/dbraw/zinc/70/01/58/425700158.db2.gz PCLNTIKVPVDCIP-UHFFFAOYSA-N 2 2 303.406 2.860 50 0 DFAALP Cc1[nH+]cc(C[NH2+][C@@H]2CCCN(Cc3ccccc3F)C2)n1C ZINC000020540239 425792754 /nfs/dbraw/zinc/79/27/54/425792754.db2.gz QDJILIFAWBXPTN-MRXNPFEDSA-N 2 2 316.424 2.622 50 0 DFAALP Cc1cc(N2CC[NH+](Cc3ccccn3)CC2)nc(C(C)C)[nH+]1 ZINC000032819597 425839930 /nfs/dbraw/zinc/83/99/30/425839930.db2.gz UQVGKTAZBRYVKY-UHFFFAOYSA-N 2 2 311.433 2.626 50 0 DFAALP COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000048782264 425877356 /nfs/dbraw/zinc/87/73/56/425877356.db2.gz MIPBVWLSAIOLDC-UHFFFAOYSA-N 2 2 308.385 2.874 50 0 DFAALP C[C@@H](C(=O)N1CCCC1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000069590578 425948346 /nfs/dbraw/zinc/94/83/46/425948346.db2.gz JPGVKJDCIDRRAT-ZWKOTPCHSA-N 2 2 321.509 2.585 50 0 DFAALP C[C@@H](C(=O)N1CCCC1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000069590578 425948349 /nfs/dbraw/zinc/94/83/49/425948349.db2.gz JPGVKJDCIDRRAT-ZWKOTPCHSA-N 2 2 321.509 2.585 50 0 DFAALP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1nc3ccccc3n1C)CCC2 ZINC000089702157 426303567 /nfs/dbraw/zinc/30/35/67/426303567.db2.gz RKMKYTOFNRVLDT-CQSZACIVSA-N 2 2 309.417 2.745 50 0 DFAALP C[C@@H](O)c1cccc(N2CCC(C[NH+]3CCCCC3)CC2)[nH+]1 ZINC000096130988 426400822 /nfs/dbraw/zinc/40/08/22/426400822.db2.gz LXNBRFHQPYEBGA-OAHLLOKOSA-N 2 2 303.450 2.837 50 0 DFAALP CCC[C@@H](NC(=O)CC1CC[NH+](C(C)C)CC1)c1[nH+]ccn1C ZINC000095372134 426370054 /nfs/dbraw/zinc/37/00/54/426370054.db2.gz MBEDRIDIOLTPLH-MRXNPFEDSA-N 2 2 320.481 2.888 50 0 DFAALP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3noc(-c4ccsc4)n3)C2)[nH]1 ZINC000095971478 426380185 /nfs/dbraw/zinc/38/01/85/426380185.db2.gz WFCBDQLTALBUMX-NSHDSACASA-N 2 2 315.402 2.901 50 0 DFAALP c1c[nH+]c([C@H]2CCC[N@H+](Cc3noc(-c4ccsc4)n3)C2)[nH]1 ZINC000095971478 426380188 /nfs/dbraw/zinc/38/01/88/426380188.db2.gz WFCBDQLTALBUMX-NSHDSACASA-N 2 2 315.402 2.901 50 0 DFAALP CCO[C@@H]1C[C@H]([NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)C1(C)C ZINC000096493371 426435651 /nfs/dbraw/zinc/43/56/51/426435651.db2.gz RQEQJYFYRTYPTO-LSDHHAIUSA-N 2 2 300.406 2.561 50 0 DFAALP COc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1Br ZINC000097053155 426443581 /nfs/dbraw/zinc/44/35/81/426443581.db2.gz JUGNYOLXLIDYSW-CMPLNLGQSA-N 2 2 313.239 2.627 50 0 DFAALP COc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1Br ZINC000097053155 426443584 /nfs/dbraw/zinc/44/35/84/426443584.db2.gz JUGNYOLXLIDYSW-CMPLNLGQSA-N 2 2 313.239 2.627 50 0 DFAALP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3noc(C4CC4)n3)C2)[nH+]1 ZINC000097200553 426457618 /nfs/dbraw/zinc/45/76/18/426457618.db2.gz XHHXKHBTLZTSOX-ZDUSSCGKSA-N 2 2 313.405 2.584 50 0 DFAALP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3noc(C4CC4)n3)C2)[nH+]1 ZINC000097200553 426457621 /nfs/dbraw/zinc/45/76/21/426457621.db2.gz XHHXKHBTLZTSOX-ZDUSSCGKSA-N 2 2 313.405 2.584 50 0 DFAALP Cn1c(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)nc2ccccc21 ZINC000097200750 426457632 /nfs/dbraw/zinc/45/76/32/426457632.db2.gz IZACWMFQPCWIHA-HNNXBMFYSA-N 2 2 321.428 2.902 50 0 DFAALP Cn1c(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)nc2ccccc21 ZINC000097200750 426457635 /nfs/dbraw/zinc/45/76/35/426457635.db2.gz IZACWMFQPCWIHA-HNNXBMFYSA-N 2 2 321.428 2.902 50 0 DFAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000097376955 426465596 /nfs/dbraw/zinc/46/55/96/426465596.db2.gz GCPWZEYXIGXCKL-AWEZNQCLSA-N 2 2 315.465 2.895 50 0 DFAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000097376955 426465599 /nfs/dbraw/zinc/46/55/99/426465599.db2.gz GCPWZEYXIGXCKL-AWEZNQCLSA-N 2 2 315.465 2.895 50 0 DFAALP Nc1nc(NCCc2cccc(Cl)c2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000218842291 426570327 /nfs/dbraw/zinc/57/03/27/426570327.db2.gz LHMFHYAOGLNHPJ-UHFFFAOYSA-N 2 2 317.824 2.572 50 0 DFAALP C[C@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000222200310 426581904 /nfs/dbraw/zinc/58/19/04/426581904.db2.gz NUSLWGFFJYVQOW-OLZOCXBDSA-N 2 2 313.405 2.837 50 0 DFAALP C[C@H](c1nc(C2CC2)no1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000222200310 426581909 /nfs/dbraw/zinc/58/19/09/426581909.db2.gz NUSLWGFFJYVQOW-OLZOCXBDSA-N 2 2 313.405 2.837 50 0 DFAALP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)c(C)o2)[C@@H](C)C1 ZINC000230194126 426645698 /nfs/dbraw/zinc/64/56/98/426645698.db2.gz OOVPAUSPEWBZET-BLLLJJGKSA-N 2 2 308.422 2.537 50 0 DFAALP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)c(C)o2)[C@@H](C)C1 ZINC000230194126 426645705 /nfs/dbraw/zinc/64/57/05/426645705.db2.gz OOVPAUSPEWBZET-BLLLJJGKSA-N 2 2 308.422 2.537 50 0 DFAALP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C(=O)OC)c(C)o2)[C@@H](C)C1 ZINC000230194126 426645709 /nfs/dbraw/zinc/64/57/09/426645709.db2.gz OOVPAUSPEWBZET-BLLLJJGKSA-N 2 2 308.422 2.537 50 0 DFAALP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C(=O)OC)c(C)o2)[C@@H](C)C1 ZINC000230194126 426645714 /nfs/dbraw/zinc/64/57/14/426645714.db2.gz OOVPAUSPEWBZET-BLLLJJGKSA-N 2 2 308.422 2.537 50 0 DFAALP c1[nH+]cn(Cc2ccccc2)c1CN1CCC([NH+]2CCCC2)CC1 ZINC000244723512 426727502 /nfs/dbraw/zinc/72/75/02/426727502.db2.gz MCYKDSBJWSMKEC-UHFFFAOYSA-N 2 2 324.472 2.992 50 0 DFAALP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCCS1 ZINC000246950948 426883196 /nfs/dbraw/zinc/88/31/96/426883196.db2.gz HJSCLAULBIGAPV-OIISXLGYSA-N 2 2 305.491 2.777 50 0 DFAALP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCCS1 ZINC000246950948 426883200 /nfs/dbraw/zinc/88/32/00/426883200.db2.gz HJSCLAULBIGAPV-OIISXLGYSA-N 2 2 305.491 2.777 50 0 DFAALP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccn2C)C1 ZINC000190458898 427115486 /nfs/dbraw/zinc/11/54/86/427115486.db2.gz PMLDEYSOYLZDDU-OAHLLOKOSA-N 2 2 318.490 2.744 50 0 DFAALP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2cccn2C)C1 ZINC000190458898 427115493 /nfs/dbraw/zinc/11/54/93/427115493.db2.gz PMLDEYSOYLZDDU-OAHLLOKOSA-N 2 2 318.490 2.744 50 0 DFAALP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2cccn2C)C1 ZINC000190458898 427115501 /nfs/dbraw/zinc/11/55/01/427115501.db2.gz PMLDEYSOYLZDDU-OAHLLOKOSA-N 2 2 318.490 2.744 50 0 DFAALP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2cccn2C)C1 ZINC000190458898 427115508 /nfs/dbraw/zinc/11/55/08/427115508.db2.gz PMLDEYSOYLZDDU-OAHLLOKOSA-N 2 2 318.490 2.744 50 0 DFAALP C[N@H+]1CC[C@@H](C[NH2+]Cc2ncc[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000252486438 427178134 /nfs/dbraw/zinc/17/81/34/427178134.db2.gz KBCDEQNUCVVROQ-BLLLJJGKSA-N 2 2 322.815 2.985 50 0 DFAALP Brc1cccc2c1CC[C@H]2[NH2+]CCn1cc[nH+]c1 ZINC000091264092 273475909 /nfs/dbraw/zinc/47/59/09/273475909.db2.gz BMMUZDVEZJIDEI-CQSZACIVSA-N 2 2 306.207 2.923 50 0 DFAALP C[C@H](Cn1cc[nH+]c1)[NH2+]CCc1csc(-c2ccncc2)n1 ZINC000534642364 334306034 /nfs/dbraw/zinc/30/60/34/334306034.db2.gz MZTOUUSLSVDOLQ-CYBMUJFWSA-N 2 2 313.430 2.622 50 0 DFAALP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262052510 282079743 /nfs/dbraw/zinc/07/97/43/282079743.db2.gz QJXIXKLUFJQZKM-QFBILLFUSA-N 3 2 312.461 2.809 50 0 DFAALP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262052510 282079744 /nfs/dbraw/zinc/07/97/44/282079744.db2.gz QJXIXKLUFJQZKM-QFBILLFUSA-N 3 2 312.461 2.809 50 0 DFAALP [NH3+][C@@H]1CC[N@H+](Cc2cccc(Oc3ccc(F)cc3)c2)C[C@H]1O ZINC000082119932 192357855 /nfs/dbraw/zinc/35/78/55/192357855.db2.gz UWQHKMOEYJYKNF-QZTJIDSGSA-N 2 2 316.376 2.512 50 0 DFAALP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(Oc3ccc(F)cc3)c2)C[C@H]1O ZINC000082119932 192357858 /nfs/dbraw/zinc/35/78/58/192357858.db2.gz UWQHKMOEYJYKNF-QZTJIDSGSA-N 2 2 316.376 2.512 50 0 DFAALP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccnc1 ZINC000092739804 185337817 /nfs/dbraw/zinc/33/78/17/185337817.db2.gz APPMMMYUCNLCOA-INIZCTEOSA-N 2 2 311.429 2.765 50 0 DFAALP c1cc(C[NH2+]C(C2CC2)C2CC2)cc(C[NH+]2CCOCC2)c1 ZINC000095420521 185360212 /nfs/dbraw/zinc/36/02/12/185360212.db2.gz HFVQSBITWOWKFK-UHFFFAOYSA-N 2 2 300.446 2.797 50 0 DFAALP Cc1[nH+]c2ccc(Cl)cn2c1CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000584901754 398430792 /nfs/dbraw/zinc/43/07/92/398430792.db2.gz LWWSYMFYYOHVKZ-AWEZNQCLSA-N 2 2 306.841 2.822 50 0 DFAALP Cc1[nH+]c2ccc(Cl)cn2c1CN(C)C[C@@H]1CCC[N@H+]1C ZINC000584901754 398430794 /nfs/dbraw/zinc/43/07/94/398430794.db2.gz LWWSYMFYYOHVKZ-AWEZNQCLSA-N 2 2 306.841 2.822 50 0 DFAALP OCC[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000585134892 398434114 /nfs/dbraw/zinc/43/41/14/398434114.db2.gz OIANEYHZGCFXAG-CEXWTWQISA-N 2 2 302.462 2.759 50 0 DFAALP OCC[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000585134892 398434117 /nfs/dbraw/zinc/43/41/17/398434117.db2.gz OIANEYHZGCFXAG-CEXWTWQISA-N 2 2 302.462 2.759 50 0 DFAALP CC[N@@H+]1CC[C@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)[C@H](C)C1 ZINC000090050203 398476272 /nfs/dbraw/zinc/47/62/72/398476272.db2.gz KZYVQLMELLATGB-CVEARBPZSA-N 3 2 314.477 2.826 50 0 DFAALP CC[N@H+]1CC[C@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)[C@H](C)C1 ZINC000090050203 398476275 /nfs/dbraw/zinc/47/62/75/398476275.db2.gz KZYVQLMELLATGB-CVEARBPZSA-N 3 2 314.477 2.826 50 0 DFAALP c1ccc(OCC[N@@H+](Cc2cccnc2)C[C@@H]2CC[NH2+]C2)cc1 ZINC000328602142 398565265 /nfs/dbraw/zinc/56/52/65/398565265.db2.gz ALOKDPBXWHKSEJ-GOSISDBHSA-N 2 2 311.429 2.572 50 0 DFAALP c1ccc(OCC[N@H+](Cc2cccnc2)C[C@@H]2CC[NH2+]C2)cc1 ZINC000328602142 398565269 /nfs/dbraw/zinc/56/52/69/398565269.db2.gz ALOKDPBXWHKSEJ-GOSISDBHSA-N 2 2 311.429 2.572 50 0 DFAALP C[N@@H+]1CC[C@@H](C[NH2+][C@H](C(N)=O)c2ccccc2)[C@@H]1c1cccnc1 ZINC000328628626 398567630 /nfs/dbraw/zinc/56/76/30/398567630.db2.gz HKFXGOXFMKTSBF-BZSNNMDCSA-N 2 2 324.428 2.941 50 0 DFAALP C[N@H+]1CC[C@@H](C[NH2+][C@H](C(N)=O)c2ccccc2)[C@@H]1c1cccnc1 ZINC000328628626 398567636 /nfs/dbraw/zinc/56/76/36/398567636.db2.gz HKFXGOXFMKTSBF-BZSNNMDCSA-N 2 2 324.428 2.941 50 0 DFAALP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C[C@H](C)O1 ZINC000328655196 398569075 /nfs/dbraw/zinc/56/90/75/398569075.db2.gz YDADSUZCBLRYRK-YFUQURRKSA-N 2 2 303.450 2.620 50 0 DFAALP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C[C@H](C)O1 ZINC000328655196 398569079 /nfs/dbraw/zinc/56/90/79/398569079.db2.gz YDADSUZCBLRYRK-YFUQURRKSA-N 2 2 303.450 2.620 50 0 DFAALP C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(-c3[nH]cc[nH+]3)c2)CC1 ZINC000072122463 191040620 /nfs/dbraw/zinc/04/06/20/191040620.db2.gz OSRPATOOUJWDQZ-MRXNPFEDSA-N 2 2 312.417 2.633 50 0 DFAALP CC(C)[NH+]1CCC(c2[nH+]ccn2-c2ccc3[nH]nnc3c2)CC1 ZINC000072152229 191058353 /nfs/dbraw/zinc/05/83/53/191058353.db2.gz ISPOJVCFLGZXIN-UHFFFAOYSA-N 2 2 310.405 2.731 50 0 DFAALP Nc1nc(NCc2c(F)cccc2Cl)cc([C@H]2C[C@@H]([NH3+])C2)[nH+]1 ZINC000244858587 202503491 /nfs/dbraw/zinc/50/34/91/202503491.db2.gz VNZAKIHFPZPLRB-DTORHVGOSA-N 2 2 321.787 2.668 50 0 DFAALP C[NH+]1CCN(C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000019889827 182160926 /nfs/dbraw/zinc/16/09/26/182160926.db2.gz BBLLOTQWNQYWBN-UHFFFAOYSA-N 2 2 307.869 2.552 50 0 DFAALP COc1ccccc1C[NH+]1CCC([NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000020035130 182182135 /nfs/dbraw/zinc/18/21/35/182182135.db2.gz YJTGSVKWEQSXJG-HOTGVXAUSA-N 2 2 318.461 2.769 50 0 DFAALP COc1ccc(C[NH2+]CCn2c(C)[nH+]c3ccccc32)cc1O ZINC000058245525 184094217 /nfs/dbraw/zinc/09/42/17/184094217.db2.gz GLKAIJQZDIFDHV-UHFFFAOYSA-N 2 2 311.385 2.849 50 0 DFAALP Cc1[nH+]ccn1C[C@H](C)[NH2+]Cc1nc2cc(Cl)ccc2[nH]1 ZINC000067739514 542459836 /nfs/dbraw/zinc/45/98/36/542459836.db2.gz UHLBKXPGMIMHJE-JTQLQIEISA-N 2 2 303.797 2.900 50 0 DFAALP Cc1[nH+]ccn1C[C@H](C)[NH2+]Cc1nc2ccc(Cl)cc2[nH]1 ZINC000067739514 542459840 /nfs/dbraw/zinc/45/98/40/542459840.db2.gz UHLBKXPGMIMHJE-JTQLQIEISA-N 2 2 303.797 2.900 50 0 DFAALP c1ccc(N2CCC([NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)CC2)[nH+]c1 ZINC000097237682 257240278 /nfs/dbraw/zinc/24/02/78/257240278.db2.gz DWTFPNBKRIIDIQ-NXHRZFHOSA-N 2 2 313.445 2.598 50 0 DFAALP CC(=O)c1cc(C[N@H+](C)Cc2ccc3c(c2)C[NH+](C)C3)n(C)c1 ZINC000216098259 542875293 /nfs/dbraw/zinc/87/52/93/542875293.db2.gz FXQHKIYIVJGOGG-UHFFFAOYSA-N 2 2 311.429 2.805 50 0 DFAALP CC(=O)c1cc(C[N@@H+](C)Cc2ccc3c(c2)C[NH+](C)C3)n(C)c1 ZINC000216098259 542875296 /nfs/dbraw/zinc/87/52/96/542875296.db2.gz FXQHKIYIVJGOGG-UHFFFAOYSA-N 2 2 311.429 2.805 50 0 DFAALP CC(=O)c1cc(C[NH+](C)Cc2ccc3c(c2)C[N@@H+](C)C3)n(C)c1 ZINC000216098259 542875300 /nfs/dbraw/zinc/87/53/00/542875300.db2.gz FXQHKIYIVJGOGG-UHFFFAOYSA-N 2 2 311.429 2.805 50 0 DFAALP CC(=O)c1cc(C[NH+](C)Cc2ccc3c(c2)C[N@H+](C)C3)n(C)c1 ZINC000216098259 542875303 /nfs/dbraw/zinc/87/53/03/542875303.db2.gz FXQHKIYIVJGOGG-UHFFFAOYSA-N 2 2 311.429 2.805 50 0 DFAALP C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249803593 146206535 /nfs/dbraw/zinc/20/65/35/146206535.db2.gz ASWKPKOETKLQGU-CVEARBPZSA-N 2 2 324.428 2.843 50 0 DFAALP C[C@H](C(=O)Nc1ccccc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249803593 146206537 /nfs/dbraw/zinc/20/65/37/146206537.db2.gz ASWKPKOETKLQGU-CVEARBPZSA-N 2 2 324.428 2.843 50 0 DFAALP Cn1cc[nH+]c1CC[N@@H+]1CCC[C@H](COc2cccc(F)c2)C1 ZINC000670444363 544040890 /nfs/dbraw/zinc/04/08/90/544040890.db2.gz OMMLQZRKDWTHFX-HNNXBMFYSA-N 2 2 317.408 2.893 50 0 DFAALP Cn1cc[nH+]c1CC[N@H+]1CCC[C@H](COc2cccc(F)c2)C1 ZINC000670444363 544040893 /nfs/dbraw/zinc/04/08/93/544040893.db2.gz OMMLQZRKDWTHFX-HNNXBMFYSA-N 2 2 317.408 2.893 50 0 DFAALP Cc1nc(C(F)(F)F)ncc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000670447924 544042026 /nfs/dbraw/zinc/04/20/26/544042026.db2.gz GGZMOKQETPHFIE-GFCCVEGCSA-N 2 2 316.371 2.577 50 0 DFAALP Cc1nc(C(F)(F)F)ncc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000670447924 544042029 /nfs/dbraw/zinc/04/20/29/544042029.db2.gz GGZMOKQETPHFIE-GFCCVEGCSA-N 2 2 316.371 2.577 50 0 DFAALP Cc1nc(C(F)(F)F)ncc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000670447924 544042032 /nfs/dbraw/zinc/04/20/32/544042032.db2.gz GGZMOKQETPHFIE-GFCCVEGCSA-N 2 2 316.371 2.577 50 0 DFAALP Cc1nc(C(F)(F)F)ncc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000670447924 544042036 /nfs/dbraw/zinc/04/20/36/544042036.db2.gz GGZMOKQETPHFIE-GFCCVEGCSA-N 2 2 316.371 2.577 50 0 DFAALP c1cc(-c2ccc(C[N@H+]3CCC[C@H](Cn4cc[nH+]c4)C3)o2)n[nH]1 ZINC000067880871 425914399 /nfs/dbraw/zinc/91/43/99/425914399.db2.gz AGTGVKGMWPJREG-AWEZNQCLSA-N 2 2 311.389 2.778 50 0 DFAALP c1cc(-c2ccc(C[N@@H+]3CCC[C@H](Cn4cc[nH+]c4)C3)o2)n[nH]1 ZINC000067880871 425914400 /nfs/dbraw/zinc/91/44/00/425914400.db2.gz AGTGVKGMWPJREG-AWEZNQCLSA-N 2 2 311.389 2.778 50 0 DFAALP CCC[NH+]1CCC(CC(=O)Nc2c[nH+]c3n2CCCC3)CC1 ZINC000067880996 425914241 /nfs/dbraw/zinc/91/42/41/425914241.db2.gz WKAPGNUXXJCUSW-UHFFFAOYSA-N 2 2 304.438 2.670 50 0 DFAALP c1c[nH+]c(-c2ccccc2OCCCC[NH+]2CCOCC2)[nH]1 ZINC000067878868 425914257 /nfs/dbraw/zinc/91/42/57/425914257.db2.gz YNVDWOVHWZUFIE-UHFFFAOYSA-N 2 2 301.390 2.568 50 0 DFAALP c1ccc2[nH+]c(N3CCC[N@@H+](Cc4cccnc4)CC3)[nH]c2c1 ZINC000068453741 425918295 /nfs/dbraw/zinc/91/82/95/425918295.db2.gz WWYUGQITDJNWMV-UHFFFAOYSA-N 2 2 307.401 2.670 50 0 DFAALP c1ccc2[nH+]c(N3CCC[N@H+](Cc4cccnc4)CC3)[nH]c2c1 ZINC000068453741 425918296 /nfs/dbraw/zinc/91/82/96/425918296.db2.gz WWYUGQITDJNWMV-UHFFFAOYSA-N 2 2 307.401 2.670 50 0 DFAALP Cc1cc(C)c(NC(=O)[C@H]2CCC[N@H+]2CCC[NH+](C)C)c(C)c1 ZINC000000214205 425544572 /nfs/dbraw/zinc/54/45/72/425544572.db2.gz CJDMMBNLLKAYET-QGZVFWFLSA-N 2 2 317.477 2.966 50 0 DFAALP Cc1cc(C)c(NC(=O)[C@H]2CCC[N@@H+]2CCC[NH+](C)C)c(C)c1 ZINC000000214205 425544576 /nfs/dbraw/zinc/54/45/76/425544576.db2.gz CJDMMBNLLKAYET-QGZVFWFLSA-N 2 2 317.477 2.966 50 0 DFAALP C[C@@H]1C[NH+](C2CC[NH+](CCc3ccccc3)CC2)C[C@@H](C)O1 ZINC000000758092 425571540 /nfs/dbraw/zinc/57/15/40/425571540.db2.gz LDQTXXIPBVZWQI-IAGOWNOFSA-N 2 2 302.462 2.803 50 0 DFAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000035275086 425844088 /nfs/dbraw/zinc/84/40/88/425844088.db2.gz DFTPGAVRZAXNFW-JTQLQIEISA-N 2 2 312.186 2.963 50 0 DFAALP Cc1cc(N2CCC[C@@H](c3[nH]c4ccccc4[nH+]3)C2)nc(N)[nH+]1 ZINC000040490477 425851297 /nfs/dbraw/zinc/85/12/97/425851297.db2.gz WFEFZWNJHOSOAP-GFCCVEGCSA-N 2 2 308.389 2.628 50 0 DFAALP c1ccc(C[NH+]2CCN(c3cn[nH+]c4ccccc43)CC2)cc1 ZINC000041123486 425851514 /nfs/dbraw/zinc/85/15/14/425851514.db2.gz CBHFUCLPAIFFSR-UHFFFAOYSA-N 2 2 304.397 2.952 50 0 DFAALP O[C@]1(C[NH+]2CCCC2)CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000077440050 426134417 /nfs/dbraw/zinc/13/44/17/426134417.db2.gz IWROCDDOMYFCHX-JUGMSXHOSA-N 2 2 318.436 2.762 50 0 DFAALP O[C@]1(C[NH+]2CCCC2)CCC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000077440050 426134421 /nfs/dbraw/zinc/13/44/21/426134421.db2.gz IWROCDDOMYFCHX-JUGMSXHOSA-N 2 2 318.436 2.762 50 0 DFAALP c1csc(C[N@@H+]2CCCN(c3[nH+]cnc4[nH]ccc43)CC2)c1 ZINC000077517488 426137617 /nfs/dbraw/zinc/13/76/17/426137617.db2.gz ASYXJQBVLLWXRV-UHFFFAOYSA-N 2 2 313.430 2.732 50 0 DFAALP c1csc(C[N@H+]2CCCN(c3[nH+]cnc4[nH]ccc43)CC2)c1 ZINC000077517488 426137619 /nfs/dbraw/zinc/13/76/19/426137619.db2.gz ASYXJQBVLLWXRV-UHFFFAOYSA-N 2 2 313.430 2.732 50 0 DFAALP c1cc2[nH+]ccc(N3CCC[N@@H+](C4CCOCC4)CC3)c2s1 ZINC000078294907 426163890 /nfs/dbraw/zinc/16/38/90/426163890.db2.gz RNCLRLHCPAQRAG-UHFFFAOYSA-N 2 2 317.458 2.987 50 0 DFAALP c1cc2[nH+]ccc(N3CCC[N@H+](C4CCOCC4)CC3)c2s1 ZINC000078294907 426163894 /nfs/dbraw/zinc/16/38/94/426163894.db2.gz RNCLRLHCPAQRAG-UHFFFAOYSA-N 2 2 317.458 2.987 50 0 DFAALP c1cc([C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n[nH]1 ZINC000089787654 426308620 /nfs/dbraw/zinc/30/86/20/426308620.db2.gz PJNONIUAMZVCQB-INIZCTEOSA-N 2 2 307.401 2.975 50 0 DFAALP c1cc([C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n[nH]1 ZINC000089787654 426308623 /nfs/dbraw/zinc/30/86/23/426308623.db2.gz PJNONIUAMZVCQB-INIZCTEOSA-N 2 2 307.401 2.975 50 0 DFAALP c1cn(-c2ccc(C[N@@H+](Cc3ccncc3)C3CC3)cn2)c[nH+]1 ZINC000095977238 426381192 /nfs/dbraw/zinc/38/11/92/426381192.db2.gz NUDVAOYRKRXROB-UHFFFAOYSA-N 2 2 305.385 2.827 50 0 DFAALP c1cn(-c2ccc(C[N@H+](Cc3ccncc3)C3CC3)cn2)c[nH+]1 ZINC000095977238 426381195 /nfs/dbraw/zinc/38/11/95/426381195.db2.gz NUDVAOYRKRXROB-UHFFFAOYSA-N 2 2 305.385 2.827 50 0 DFAALP C[C@H]1C[C@@H](N(C)Cc2[nH+]ccn2C)CC[N@@H+]1Cc1ccccc1 ZINC000096414935 426418077 /nfs/dbraw/zinc/41/80/77/426418077.db2.gz NULWCOLXZRRKEF-WMZOPIPTSA-N 2 2 312.461 2.905 50 0 DFAALP C[C@H]1C[C@@H](N(C)Cc2[nH+]ccn2C)CC[N@H+]1Cc1ccccc1 ZINC000096414935 426418081 /nfs/dbraw/zinc/41/80/81/426418081.db2.gz NULWCOLXZRRKEF-WMZOPIPTSA-N 2 2 312.461 2.905 50 0 DFAALP C[C@H]1C[C@H]([NH2+]Cc2ccc(CO)o2)CC[N@@H+]1Cc1ccccc1 ZINC000096456805 426431332 /nfs/dbraw/zinc/43/13/32/426431332.db2.gz QHLLEJNLRGXVNV-DOTOQJQBSA-N 2 2 314.429 2.915 50 0 DFAALP C[C@H]1C[C@H]([NH2+]Cc2ccc(CO)o2)CC[N@H+]1Cc1ccccc1 ZINC000096456805 426431336 /nfs/dbraw/zinc/43/13/36/426431336.db2.gz QHLLEJNLRGXVNV-DOTOQJQBSA-N 2 2 314.429 2.915 50 0 DFAALP Cc1ccn2c(C[N@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)cnc2c1 ZINC000097377018 426465510 /nfs/dbraw/zinc/46/55/10/426465510.db2.gz QMZIZHWOJQMPQF-MRXNPFEDSA-N 2 2 323.444 2.831 50 0 DFAALP Cc1ccn2c(C[N@@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)cnc2c1 ZINC000097377018 426465513 /nfs/dbraw/zinc/46/55/13/426465513.db2.gz QMZIZHWOJQMPQF-MRXNPFEDSA-N 2 2 323.444 2.831 50 0 DFAALP CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccccc2-c2[nH]cc[nH+]2)C1 ZINC000097578820 426469377 /nfs/dbraw/zinc/46/93/77/426469377.db2.gz ZKVSKZRNVDWGCI-CQSZACIVSA-N 2 2 312.417 2.633 50 0 DFAALP C[N@@H+](Cc1cccnc1N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000215613271 426553578 /nfs/dbraw/zinc/55/35/78/426553578.db2.gz NVHAMLGKKBEITD-QGZVFWFLSA-N 2 2 310.445 2.618 50 0 DFAALP C[N@H+](Cc1cccnc1N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000215613271 426553582 /nfs/dbraw/zinc/55/35/82/426553582.db2.gz NVHAMLGKKBEITD-QGZVFWFLSA-N 2 2 310.445 2.618 50 0 DFAALP C[NH+](Cc1cccnc1N)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000215613271 426553586 /nfs/dbraw/zinc/55/35/86/426553586.db2.gz NVHAMLGKKBEITD-QGZVFWFLSA-N 2 2 310.445 2.618 50 0 DFAALP C[NH+](Cc1cccnc1N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000215613271 426553591 /nfs/dbraw/zinc/55/35/91/426553591.db2.gz NVHAMLGKKBEITD-QGZVFWFLSA-N 2 2 310.445 2.618 50 0 DFAALP CC(C)c1cc(N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000241774045 426719128 /nfs/dbraw/zinc/71/91/28/426719128.db2.gz RMOJQTLLOGNZTJ-CABCVRRESA-N 2 2 320.481 2.615 50 0 DFAALP CC(C)c1cc(N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000241774045 426719130 /nfs/dbraw/zinc/71/91/30/426719130.db2.gz RMOJQTLLOGNZTJ-CABCVRRESA-N 2 2 320.481 2.615 50 0 DFAALP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2cccc3[nH]ccc32)CCO1 ZINC000275537945 426867312 /nfs/dbraw/zinc/86/73/12/426867312.db2.gz MKAOGKZWGLLHQG-RDTXWAMCSA-N 2 2 310.401 2.911 50 0 DFAALP CC(C)OCCC[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328624196 426985097 /nfs/dbraw/zinc/98/50/97/426985097.db2.gz CGGAFAKURBTHSR-FUHWJXTLSA-N 2 2 322.497 2.550 50 0 DFAALP CC(C)OCCC[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328624196 426985102 /nfs/dbraw/zinc/98/51/02/426985102.db2.gz CGGAFAKURBTHSR-FUHWJXTLSA-N 2 2 322.497 2.550 50 0 DFAALP CC(C)OCCC[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328624196 426985110 /nfs/dbraw/zinc/98/51/10/426985110.db2.gz CGGAFAKURBTHSR-FUHWJXTLSA-N 2 2 322.497 2.550 50 0 DFAALP CC(C)OCCC[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000328624196 426985119 /nfs/dbraw/zinc/98/51/19/426985119.db2.gz CGGAFAKURBTHSR-FUHWJXTLSA-N 2 2 322.497 2.550 50 0 DFAALP CC(C)n1cc[nH+]c1CNC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000534584197 334288943 /nfs/dbraw/zinc/28/89/43/334288943.db2.gz LMBOLAOXXOJPSG-UHFFFAOYSA-N 2 2 316.405 2.583 50 0 DFAALP CCC[C@H](C)C(=O)Nc1ncc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)s1 ZINC000725272729 546414168 /nfs/dbraw/zinc/41/41/68/546414168.db2.gz UHQHIWVJGCUIDZ-SGMGOOAPSA-N 2 2 324.494 2.687 50 0 DFAALP CCC[C@H](C)C(=O)Nc1ncc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)s1 ZINC000725272729 546414170 /nfs/dbraw/zinc/41/41/70/546414170.db2.gz UHQHIWVJGCUIDZ-SGMGOOAPSA-N 2 2 324.494 2.687 50 0 DFAALP Cc1cccn2cc(CC[NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)[nH+]c12 ZINC000170065582 563903414 /nfs/dbraw/zinc/90/34/14/563903414.db2.gz SAIPLCBEXLQQNO-BBWFWOEESA-N 2 2 313.445 2.978 50 0 DFAALP c1cn(CC[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c[nH+]1 ZINC000181285726 199276241 /nfs/dbraw/zinc/27/62/41/199276241.db2.gz PSYGSGIBKDATLG-INIZCTEOSA-N 2 2 322.416 2.548 50 0 DFAALP c1cn(CC[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c[nH+]1 ZINC000181285726 199276242 /nfs/dbraw/zinc/27/62/42/199276242.db2.gz PSYGSGIBKDATLG-INIZCTEOSA-N 2 2 322.416 2.548 50 0 DFAALP CC(C)(C)OC(=O)C[C@]1([NH3+])CCC[N@H+](Cc2ccccc2)C1 ZINC000584883348 398424987 /nfs/dbraw/zinc/42/49/87/398424987.db2.gz MZWLZOGLGLRUQH-GOSISDBHSA-N 2 2 304.434 2.712 50 0 DFAALP CC(C)(C)OC(=O)C[C@]1([NH3+])CCC[N@@H+](Cc2ccccc2)C1 ZINC000584883348 398424993 /nfs/dbraw/zinc/42/49/93/398424993.db2.gz MZWLZOGLGLRUQH-GOSISDBHSA-N 2 2 304.434 2.712 50 0 DFAALP Cc1[nH+]ccn1C[C@H](C)[NH2+]CCc1nc2ccc(Cl)cc2[nH]1 ZINC000584886875 398426141 /nfs/dbraw/zinc/42/61/41/398426141.db2.gz CMOLTXQENVKZRM-NSHDSACASA-N 2 2 317.824 2.942 50 0 DFAALP OC[C@H]1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000584890815 398426962 /nfs/dbraw/zinc/42/69/62/398426962.db2.gz JJGADWOFLCNWLM-WKILWMFISA-N 2 2 306.450 2.632 50 0 DFAALP Cc1cc(F)ccc1N1CCC([NH2+]C[C@H]2CCC[N@H+]2C)CC1 ZINC000584896260 398428985 /nfs/dbraw/zinc/42/89/85/398428985.db2.gz QJVPJQWVAWCBTP-QGZVFWFLSA-N 2 2 305.441 2.787 50 0 DFAALP Cc1cc(F)ccc1N1CCC([NH2+]C[C@H]2CCC[N@@H+]2C)CC1 ZINC000584896260 398428990 /nfs/dbraw/zinc/42/89/90/398428990.db2.gz QJVPJQWVAWCBTP-QGZVFWFLSA-N 2 2 305.441 2.787 50 0 DFAALP COc1ccccc1C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH2+]C1 ZINC000328640799 398568392 /nfs/dbraw/zinc/56/83/92/398568392.db2.gz QERSLKIAGKJXBA-KRWDZBQOSA-N 2 2 311.429 2.702 50 0 DFAALP COc1ccccc1C[N@H+](Cc1cccnc1)C[C@H]1CC[NH2+]C1 ZINC000328640799 398568396 /nfs/dbraw/zinc/56/83/96/398568396.db2.gz QERSLKIAGKJXBA-KRWDZBQOSA-N 2 2 311.429 2.702 50 0 DFAALP Cc1ccsc1C[N@H+](Cc1cncnc1)[C@H]1CCC[NH2+]CC1 ZINC000328656449 398568882 /nfs/dbraw/zinc/56/88/82/398568882.db2.gz ZIFZSJLZGFBULY-INIZCTEOSA-N 2 2 316.474 2.991 50 0 DFAALP Cc1ccsc1C[N@@H+](Cc1cncnc1)[C@H]1CCC[NH2+]CC1 ZINC000328656449 398568886 /nfs/dbraw/zinc/56/88/86/398568886.db2.gz ZIFZSJLZGFBULY-INIZCTEOSA-N 2 2 316.474 2.991 50 0 DFAALP COc1ccc(F)c(C[N@@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)c1 ZINC000072125436 191041750 /nfs/dbraw/zinc/04/17/50/191041750.db2.gz WRQBQCAYDCYSIA-AWEZNQCLSA-N 2 2 303.381 2.943 50 0 DFAALP COc1ccc(F)c(C[N@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)c1 ZINC000072125436 191041753 /nfs/dbraw/zinc/04/17/53/191041753.db2.gz WRQBQCAYDCYSIA-AWEZNQCLSA-N 2 2 303.381 2.943 50 0 DFAALP Cc1[nH+]ccn1-c1ccccc1Cn1cc[nH+]c1[C@H]1CCOC1 ZINC000072166249 191064489 /nfs/dbraw/zinc/06/44/89/191064489.db2.gz UUSYODMGLVGIEB-INIZCTEOSA-N 2 2 308.385 2.929 50 0 DFAALP O[C@H](C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1F ZINC000097200665 398665033 /nfs/dbraw/zinc/66/50/33/398665033.db2.gz FPSLOCIIMRDWCA-RHSMWYFYSA-N 2 2 315.392 2.688 50 0 DFAALP O[C@H](C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1F ZINC000097200665 398665038 /nfs/dbraw/zinc/66/50/38/398665038.db2.gz FPSLOCIIMRDWCA-RHSMWYFYSA-N 2 2 315.392 2.688 50 0 DFAALP CSc1ccccc1C[NH+]1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000072474211 191178011 /nfs/dbraw/zinc/17/80/11/191178011.db2.gz NAEAIXBBUKDQHW-QGZVFWFLSA-N 2 2 320.502 2.830 50 0 DFAALP CSc1ccccc1C[NH+]1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC000072474211 191178014 /nfs/dbraw/zinc/17/80/14/191178014.db2.gz NAEAIXBBUKDQHW-QGZVFWFLSA-N 2 2 320.502 2.830 50 0 DFAALP Cc1nn(C)c(Cl)c1C[NH2+]CCC[NH+]1Cc2ccccc2C1 ZINC000073870677 398705678 /nfs/dbraw/zinc/70/56/78/398705678.db2.gz INSGOFHXSRCUFD-UHFFFAOYSA-N 2 2 318.852 2.877 50 0 DFAALP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cccc4[nH+]ccn43)C2)[nH+]1 ZINC000179989142 199103350 /nfs/dbraw/zinc/10/33/50/199103350.db2.gz BWMNFNLETLJUOD-MRXNPFEDSA-N 3 2 321.428 2.972 50 0 DFAALP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)[nH+]1 ZINC000179989142 199103352 /nfs/dbraw/zinc/10/33/52/199103352.db2.gz BWMNFNLETLJUOD-MRXNPFEDSA-N 3 2 321.428 2.972 50 0 DFAALP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1C(C)C ZINC000022029840 182305088 /nfs/dbraw/zinc/30/50/88/182305088.db2.gz HAHPTMDDSGHXQD-DLBZAZTESA-N 2 2 320.477 2.624 50 0 DFAALP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1C(C)C ZINC000022029840 182305090 /nfs/dbraw/zinc/30/50/90/182305090.db2.gz HAHPTMDDSGHXQD-DLBZAZTESA-N 2 2 320.477 2.624 50 0 DFAALP [NH3+]C[C@H]1CCCCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000269222381 207340694 /nfs/dbraw/zinc/34/06/94/207340694.db2.gz SXNDEQVCFDNAMS-OAHLLOKOSA-N 2 2 311.385 2.827 50 0 DFAALP c1csc(CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000155621704 197073135 /nfs/dbraw/zinc/07/31/35/197073135.db2.gz AOXFHCVDXHLPKX-UHFFFAOYSA-N 2 2 301.459 2.940 50 0 DFAALP COCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cc(Cl)ccc2F)C1 ZINC000215979501 542874267 /nfs/dbraw/zinc/87/42/67/542874267.db2.gz INLODDGLWWFZAP-ZDUSSCGKSA-N 2 2 314.832 2.879 50 0 DFAALP COCC[N@H+]1CC[C@@H](C[NH+](C)Cc2cc(Cl)ccc2F)C1 ZINC000215979501 542874269 /nfs/dbraw/zinc/87/42/69/542874269.db2.gz INLODDGLWWFZAP-ZDUSSCGKSA-N 2 2 314.832 2.879 50 0 DFAALP COCC[NH+]1CC[C@@H](C[N@H+](C)Cc2cc(Cl)ccc2F)C1 ZINC000215979501 542874271 /nfs/dbraw/zinc/87/42/71/542874271.db2.gz INLODDGLWWFZAP-ZDUSSCGKSA-N 2 2 314.832 2.879 50 0 DFAALP COCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cc(Cl)ccc2F)C1 ZINC000215979501 542874274 /nfs/dbraw/zinc/87/42/74/542874274.db2.gz INLODDGLWWFZAP-ZDUSSCGKSA-N 2 2 314.832 2.879 50 0 DFAALP Cc1n[nH]c(C[NH+]2CCC(Cn3cc[nH+]c3C)CC2)c1Cl ZINC000215997081 542874728 /nfs/dbraw/zinc/87/47/28/542874728.db2.gz YANYUYSQMMVMMU-UHFFFAOYSA-N 2 2 307.829 2.789 50 0 DFAALP C[N@@H+](Cc1cnc(N)s1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000261980318 146315161 /nfs/dbraw/zinc/31/51/61/146315161.db2.gz JCFYKGWQXSLTKZ-OAHLLOKOSA-N 2 2 316.474 2.679 50 0 DFAALP C[N@H+](Cc1cnc(N)s1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000261980318 146315163 /nfs/dbraw/zinc/31/51/63/146315163.db2.gz JCFYKGWQXSLTKZ-OAHLLOKOSA-N 2 2 316.474 2.679 50 0 DFAALP C[NH+](Cc1cnc(N)s1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261980318 146315165 /nfs/dbraw/zinc/31/51/65/146315165.db2.gz JCFYKGWQXSLTKZ-OAHLLOKOSA-N 2 2 316.474 2.679 50 0 DFAALP C[NH+](Cc1cnc(N)s1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261980318 146315167 /nfs/dbraw/zinc/31/51/67/146315167.db2.gz JCFYKGWQXSLTKZ-OAHLLOKOSA-N 2 2 316.474 2.679 50 0 DFAALP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262052506 146327426 /nfs/dbraw/zinc/32/74/26/146327426.db2.gz QJXIXKLUFJQZKM-APWZRJJASA-N 3 2 312.461 2.809 50 0 DFAALP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262052506 146327429 /nfs/dbraw/zinc/32/74/29/146327429.db2.gz QJXIXKLUFJQZKM-APWZRJJASA-N 3 2 312.461 2.809 50 0 DFAALP c1onc2c1C[N@H+](Cc1cc(C[NH+]3CCCC3)cs1)CC2 ZINC000670444166 544041358 /nfs/dbraw/zinc/04/13/58/544041358.db2.gz GFOGQLJCZKWUKM-UHFFFAOYSA-N 2 2 303.431 2.890 50 0 DFAALP c1onc2c1C[N@@H+](Cc1cc(C[NH+]3CCCC3)cs1)CC2 ZINC000670444166 544041361 /nfs/dbraw/zinc/04/13/61/544041361.db2.gz GFOGQLJCZKWUKM-UHFFFAOYSA-N 2 2 303.431 2.890 50 0 DFAALP O=C(Nc1c[nH+]c2n1CCCC2)c1ccc(C[NH+]2CCCC2)o1 ZINC000067650226 425911846 /nfs/dbraw/zinc/91/18/46/425911846.db2.gz LAEDEDIXXRGKGE-UHFFFAOYSA-N 2 2 314.389 2.661 50 0 DFAALP COc1cc(Cl)cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1OC ZINC000067946698 425914821 /nfs/dbraw/zinc/91/48/21/425914821.db2.gz WTFSBQDMXYTQKJ-QGZVFWFLSA-N 2 2 324.852 2.933 50 0 DFAALP COc1cc(Cl)cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1OC ZINC000067946698 425914822 /nfs/dbraw/zinc/91/48/22/425914822.db2.gz WTFSBQDMXYTQKJ-QGZVFWFLSA-N 2 2 324.852 2.933 50 0 DFAALP CCOc1ccccc1N1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000124641923 425931219 /nfs/dbraw/zinc/93/12/19/425931219.db2.gz JIAKURFUAWVTFQ-QGZVFWFLSA-N 2 2 317.477 2.692 50 0 DFAALP CCOc1ccccc1N1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000124641923 425931221 /nfs/dbraw/zinc/93/12/21/425931221.db2.gz JIAKURFUAWVTFQ-QGZVFWFLSA-N 2 2 317.477 2.692 50 0 DFAALP C[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)CC3=CCCCC3)C2)CC1 ZINC000012708278 425735472 /nfs/dbraw/zinc/73/54/72/425735472.db2.gz ICNROTYRCRAHFS-KRWDZBQOSA-N 2 2 319.493 2.552 50 0 DFAALP C[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)CC3=CCCCC3)C2)CC1 ZINC000012708278 425735474 /nfs/dbraw/zinc/73/54/74/425735474.db2.gz ICNROTYRCRAHFS-KRWDZBQOSA-N 2 2 319.493 2.552 50 0 DFAALP C[NH+](C)CC(C)(C)CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000009512140 425689004 /nfs/dbraw/zinc/68/90/04/425689004.db2.gz AMISPWGFIHOAAT-UHFFFAOYSA-N 2 2 324.432 2.815 50 0 DFAALP CC[NH+]1CCC(Nc2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000009501868 425690176 /nfs/dbraw/zinc/69/01/76/425690176.db2.gz UOFSPHVMMLRTKW-UHFFFAOYSA-N 2 2 322.416 2.712 50 0 DFAALP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2c[nH]c3ccccc23)C1 ZINC000009834682 425695182 /nfs/dbraw/zinc/69/51/82/425695182.db2.gz HEKBTSGWQKTNBA-MRXNPFEDSA-N 2 2 301.434 2.614 50 0 DFAALP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2c[nH]c3ccccc23)C1 ZINC000009834682 425695185 /nfs/dbraw/zinc/69/51/85/425695185.db2.gz HEKBTSGWQKTNBA-MRXNPFEDSA-N 2 2 301.434 2.614 50 0 DFAALP Cc1[nH+]cc(C[N@H+]2CC[C@H](C3CC[NH+](CC(C)C)CC3)C2)n1C ZINC000011664249 425710820 /nfs/dbraw/zinc/71/08/20/425710820.db2.gz NYPJELBGZLRNJU-SFHVURJKSA-N 3 2 318.509 2.918 50 0 DFAALP Cc1[nH+]cc(C[N@@H+]2CC[C@H](C3CC[NH+](CC(C)C)CC3)C2)n1C ZINC000011664249 425710823 /nfs/dbraw/zinc/71/08/23/425710823.db2.gz NYPJELBGZLRNJU-SFHVURJKSA-N 3 2 318.509 2.918 50 0 DFAALP CCC[NH+]1CCC([NH+]2CCN(c3ccc(C)cc3)CC2)CC1 ZINC000032511821 425838865 /nfs/dbraw/zinc/83/88/65/425838865.db2.gz NHHIDCFUZAFYCN-UHFFFAOYSA-N 2 2 301.478 2.991 50 0 DFAALP Fc1cc(Br)ccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000036667993 425845964 /nfs/dbraw/zinc/84/59/64/425845964.db2.gz NJSIHQILGPSJAX-UHFFFAOYSA-N 2 2 312.186 2.965 50 0 DFAALP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1 ZINC000038344923 425850772 /nfs/dbraw/zinc/85/07/72/425850772.db2.gz PHHSNFMWCLUIRW-DOTOQJQBSA-N 2 2 303.450 2.786 50 0 DFAALP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1 ZINC000038344923 425850773 /nfs/dbraw/zinc/85/07/73/425850773.db2.gz PHHSNFMWCLUIRW-DOTOQJQBSA-N 2 2 303.450 2.786 50 0 DFAALP c1coc(-c2noc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)n2)c1 ZINC000047970877 425872518 /nfs/dbraw/zinc/87/25/18/425872518.db2.gz IMEYRRGSFAUNHO-UHFFFAOYSA-N 2 2 316.405 2.637 50 0 DFAALP Cc1cc(NCc2ccc(N3CCC(C)CC3)[nH+]c2)nc(N)[nH+]1 ZINC000071811089 425991394 /nfs/dbraw/zinc/99/13/94/425991394.db2.gz OBMVTUVJTPJIOZ-UHFFFAOYSA-N 2 2 312.421 2.611 50 0 DFAALP Cn1cc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000069769913 425956079 /nfs/dbraw/zinc/95/60/79/425956079.db2.gz UJOYDPFDJXYLCQ-SFHVURJKSA-N 2 2 307.401 2.943 50 0 DFAALP Cn1cc([C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000069769913 425956082 /nfs/dbraw/zinc/95/60/82/425956082.db2.gz UJOYDPFDJXYLCQ-SFHVURJKSA-N 2 2 307.401 2.943 50 0 DFAALP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc(Cl)o2)nc[nH+]1 ZINC000075132713 426063773 /nfs/dbraw/zinc/06/37/73/426063773.db2.gz YCCZSRNZTUOYGR-NSHDSACASA-N 2 2 321.812 2.523 50 0 DFAALP Cc1cn(CCn2cc[nH+]c2-c2cccc([C@@H](C)[NH+](C)C)c2)nn1 ZINC000077406640 426131408 /nfs/dbraw/zinc/13/14/08/426131408.db2.gz MXLYQGFHFFMNCR-OAHLLOKOSA-N 2 2 324.432 2.773 50 0 DFAALP O[C@@]1(C[NH+]2CCCCC2)CCN(c2[nH+]ccc3ccccc32)C1 ZINC000077452868 426134037 /nfs/dbraw/zinc/13/40/37/426134037.db2.gz WVDOHHBGHVMYNZ-LJQANCHMSA-N 2 2 311.429 2.662 50 0 DFAALP c1cn(C2CC[NH+](C[C@@H]3CCCO3)CC2)c(-c2ccncc2)[nH+]1 ZINC000077504602 426137023 /nfs/dbraw/zinc/13/70/23/426137023.db2.gz JOCSWIKZWOQYNT-KRWDZBQOSA-N 2 2 312.417 2.761 50 0 DFAALP c1cn(Cc2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)c[nH+]1 ZINC000097101281 426448158 /nfs/dbraw/zinc/44/81/58/426448158.db2.gz GMRKABIIEGLDFN-UHFFFAOYSA-N 2 2 323.400 2.967 50 0 DFAALP Cc1ccc(NC[C@H]2CC[N@H+](Cc3nnc(C4CC4)o3)C2)[nH+]c1 ZINC000097200532 426457481 /nfs/dbraw/zinc/45/74/81/426457481.db2.gz SQKYKRBRQCHUPW-CYBMUJFWSA-N 2 2 313.405 2.584 50 0 DFAALP Cc1ccc(NC[C@H]2CC[N@@H+](Cc3nnc(C4CC4)o3)C2)[nH+]c1 ZINC000097200532 426457483 /nfs/dbraw/zinc/45/74/83/426457483.db2.gz SQKYKRBRQCHUPW-CYBMUJFWSA-N 2 2 313.405 2.584 50 0 DFAALP O=c1occ(C[NH+]2CCCCCC2)c(O)c1C[NH+]1CCCCC1 ZINC000101373493 426484160 /nfs/dbraw/zinc/48/41/60/426484160.db2.gz DPMAGAOZMVASIX-UHFFFAOYSA-N 2 2 320.433 2.707 50 0 DFAALP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000225442449 426601801 /nfs/dbraw/zinc/60/18/01/426601801.db2.gz KYWLNNMILKKCCU-QAPCUYQASA-N 2 2 317.477 2.992 50 0 DFAALP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000225442449 426601804 /nfs/dbraw/zinc/60/18/04/426601804.db2.gz KYWLNNMILKKCCU-QAPCUYQASA-N 2 2 317.477 2.992 50 0 DFAALP Cc1ncccc1C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190473102 427118803 /nfs/dbraw/zinc/11/88/03/427118803.db2.gz VRGXSAIGDXMSSR-SFHVURJKSA-N 2 2 310.445 2.739 50 0 DFAALP Cc1ncccc1C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190473102 427118809 /nfs/dbraw/zinc/11/88/09/427118809.db2.gz VRGXSAIGDXMSSR-SFHVURJKSA-N 2 2 310.445 2.739 50 0 DFAALP Cc1ncccc1C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190473102 427118816 /nfs/dbraw/zinc/11/88/16/427118816.db2.gz VRGXSAIGDXMSSR-SFHVURJKSA-N 2 2 310.445 2.739 50 0 DFAALP Cc1ncccc1C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190473102 427118820 /nfs/dbraw/zinc/11/88/20/427118820.db2.gz VRGXSAIGDXMSSR-SFHVURJKSA-N 2 2 310.445 2.739 50 0 DFAALP CCc1[nH+]ccn1CCCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000299793428 427770410 /nfs/dbraw/zinc/77/04/10/427770410.db2.gz HBGCWFNTNNPYRG-UHFFFAOYSA-N 2 2 315.421 2.978 50 0 DFAALP Fc1ccc(N2CC[C@@H]([NH2+]CC3(Cn4cc[nH+]c4)CC3)C2)cc1 ZINC000534664772 334318539 /nfs/dbraw/zinc/31/85/39/334318539.db2.gz VAIIJGXJZMTSML-MRXNPFEDSA-N 2 2 314.408 2.671 50 0 DFAALP CC(C)n1cc[nH+]c1CNC(=O)[C@@H](C)[N@H+](C)C1CCCCC1 ZINC000534675232 334320578 /nfs/dbraw/zinc/32/05/78/334320578.db2.gz MZJRUUFZYDNWQR-CQSZACIVSA-N 2 2 306.454 2.733 50 0 DFAALP CC(C)n1cc[nH+]c1CNC(=O)[C@@H](C)[N@@H+](C)C1CCCCC1 ZINC000534675232 334320579 /nfs/dbraw/zinc/32/05/79/334320579.db2.gz MZJRUUFZYDNWQR-CQSZACIVSA-N 2 2 306.454 2.733 50 0 DFAALP Cc1ccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000328627202 533906969 /nfs/dbraw/zinc/90/69/69/533906969.db2.gz FVIDOGNTRITGSY-LJQANCHMSA-N 2 2 310.445 2.929 50 0 DFAALP Cc1ccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000328627202 533906984 /nfs/dbraw/zinc/90/69/84/533906984.db2.gz FVIDOGNTRITGSY-LJQANCHMSA-N 2 2 310.445 2.929 50 0 DFAALP Cc1noc(C)c1C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328631177 534352781 /nfs/dbraw/zinc/35/27/81/534352781.db2.gz KEBCQUVHRDRJLM-WMZOPIPTSA-N 2 2 314.433 2.811 50 0 DFAALP Cc1noc(C)c1C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328631177 534352784 /nfs/dbraw/zinc/35/27/84/534352784.db2.gz KEBCQUVHRDRJLM-WMZOPIPTSA-N 2 2 314.433 2.811 50 0 DFAALP Cc1noc(C)c1C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328631177 534352791 /nfs/dbraw/zinc/35/27/91/534352791.db2.gz KEBCQUVHRDRJLM-WMZOPIPTSA-N 2 2 314.433 2.811 50 0 DFAALP Cc1noc(C)c1C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328631177 534352794 /nfs/dbraw/zinc/35/27/94/534352794.db2.gz KEBCQUVHRDRJLM-WMZOPIPTSA-N 2 2 314.433 2.811 50 0 DFAALP c1cn(CC[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c[nH+]1 ZINC000181285705 199276064 /nfs/dbraw/zinc/27/60/64/199276064.db2.gz PSYGSGIBKDATLG-MRXNPFEDSA-N 2 2 322.416 2.548 50 0 DFAALP c1cn(CC[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c[nH+]1 ZINC000181285705 199276066 /nfs/dbraw/zinc/27/60/66/199276066.db2.gz PSYGSGIBKDATLG-MRXNPFEDSA-N 2 2 322.416 2.548 50 0 DFAALP [NH3+][C@@H]1CC[N@H+](Cc2ccc(SC3CCCCC3)o2)C[C@H]1O ZINC000082120749 192359848 /nfs/dbraw/zinc/35/98/48/192359848.db2.gz KTTTWMKVHJGBMG-HUUCEWRRSA-N 2 2 310.463 2.598 50 0 DFAALP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(SC3CCCCC3)o2)C[C@H]1O ZINC000082120749 192359851 /nfs/dbraw/zinc/35/98/51/192359851.db2.gz KTTTWMKVHJGBMG-HUUCEWRRSA-N 2 2 310.463 2.598 50 0 DFAALP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCCn3cc[nH+]c3)CC2)C1 ZINC000095419076 185359909 /nfs/dbraw/zinc/35/99/09/185359909.db2.gz UCXAVMJGMOOOLO-AEFFLSMTSA-N 3 2 304.482 2.906 50 0 DFAALP Cc1[nH+]cc(C[NH2+]Cc2cccnc2N(C)C)n1-c1ccccc1 ZINC000095409410 185357047 /nfs/dbraw/zinc/35/70/47/185357047.db2.gz MZGPJDGAOOGINX-UHFFFAOYSA-N 2 2 321.428 2.932 50 0 DFAALP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000257365760 398427779 /nfs/dbraw/zinc/42/77/79/398427779.db2.gz KTGQGJPYDAZYKC-QZTJIDSGSA-N 2 2 324.428 2.571 50 0 DFAALP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000257365760 398427782 /nfs/dbraw/zinc/42/77/82/398427782.db2.gz KTGQGJPYDAZYKC-QZTJIDSGSA-N 2 2 324.428 2.571 50 0 DFAALP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000414071320 295763595 /nfs/dbraw/zinc/76/35/95/295763595.db2.gz TYPBWABZKGMLIC-CYBMUJFWSA-N 2 2 309.417 2.838 50 0 DFAALP Cc1nnc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)o1 ZINC000328607096 398565184 /nfs/dbraw/zinc/56/51/84/398565184.db2.gz UMLXDBTXJUDLLM-AWEZNQCLSA-N 2 2 318.446 2.584 50 0 DFAALP Cc1nnc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)o1 ZINC000328607096 398565189 /nfs/dbraw/zinc/56/51/89/398565189.db2.gz UMLXDBTXJUDLLM-AWEZNQCLSA-N 2 2 318.446 2.584 50 0 DFAALP c1cncc(C[N@H+](Cc2ccc3c(c2)CCO3)C[C@@H]2CC[NH2+]C2)c1 ZINC000328629659 398567572 /nfs/dbraw/zinc/56/75/72/398567572.db2.gz ILKZTSIDCGDESN-GOSISDBHSA-N 2 2 323.440 2.628 50 0 DFAALP c1cncc(C[N@@H+](Cc2ccc3c(c2)CCO3)C[C@@H]2CC[NH2+]C2)c1 ZINC000328629659 398567573 /nfs/dbraw/zinc/56/75/73/398567573.db2.gz ILKZTSIDCGDESN-GOSISDBHSA-N 2 2 323.440 2.628 50 0 DFAALP CC[NH+](CC)CCN1CCC[C@@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000328626487 398567829 /nfs/dbraw/zinc/56/78/29/398567829.db2.gz FCTZGQSPVJBASV-QGZVFWFLSA-N 2 2 304.482 2.778 50 0 DFAALP O[C@@H](C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1cccc(F)c1 ZINC000097200704 398665355 /nfs/dbraw/zinc/66/53/55/398665355.db2.gz XFNPAUWWYXGEMN-PBHICJAKSA-N 2 2 315.392 2.688 50 0 DFAALP O[C@@H](C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1cccc(F)c1 ZINC000097200704 398665357 /nfs/dbraw/zinc/66/53/57/398665357.db2.gz XFNPAUWWYXGEMN-PBHICJAKSA-N 2 2 315.392 2.688 50 0 DFAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000072463392 191174251 /nfs/dbraw/zinc/17/42/51/191174251.db2.gz KMSQQLSTCPNPAK-OAHLLOKOSA-N 2 2 317.481 2.533 50 0 DFAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000072463392 191174253 /nfs/dbraw/zinc/17/42/53/191174253.db2.gz KMSQQLSTCPNPAK-OAHLLOKOSA-N 2 2 317.481 2.533 50 0 DFAALP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275535982 212399184 /nfs/dbraw/zinc/39/91/84/212399184.db2.gz MFVQNOPFLORESD-NEWSRXKRSA-N 3 2 324.472 2.556 50 0 DFAALP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275535982 212399186 /nfs/dbraw/zinc/39/91/86/212399186.db2.gz MFVQNOPFLORESD-NEWSRXKRSA-N 3 2 324.472 2.556 50 0 DFAALP COc1ccccc1C[NH+]1CCC([NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000020035133 182182225 /nfs/dbraw/zinc/18/22/25/182182225.db2.gz YJTGSVKWEQSXJG-HZPDHXFCSA-N 2 2 318.461 2.769 50 0 DFAALP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](Cc3noc(C4CC4)n3)C2)c1 ZINC000065590151 184369926 /nfs/dbraw/zinc/36/99/26/184369926.db2.gz ZQRWXONOEXOHEP-CYBMUJFWSA-N 2 2 313.405 2.584 50 0 DFAALP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3noc(C4CC4)n3)C2)c1 ZINC000065590151 184369928 /nfs/dbraw/zinc/36/99/28/184369928.db2.gz ZQRWXONOEXOHEP-CYBMUJFWSA-N 2 2 313.405 2.584 50 0 DFAALP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCCS1 ZINC000246950922 256608030 /nfs/dbraw/zinc/60/80/30/256608030.db2.gz HJSCLAULBIGAPV-HYVNUMGLSA-N 2 2 305.491 2.777 50 0 DFAALP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCCS1 ZINC000246950922 256608033 /nfs/dbraw/zinc/60/80/33/256608033.db2.gz HJSCLAULBIGAPV-HYVNUMGLSA-N 2 2 305.491 2.777 50 0 DFAALP c1coc(C[NH+]2CCC([NH2+][C@H]3COc4ccccc4C3)CC2)c1 ZINC000670450637 544042761 /nfs/dbraw/zinc/04/27/61/544042761.db2.gz WQDQPYFWVHROCI-QGZVFWFLSA-N 2 2 312.413 2.837 50 0 DFAALP CCCN(Cc1[nH+]ccn1C)C(=O)CC[NH+]1CCCCCCC1 ZINC000063885115 425901270 /nfs/dbraw/zinc/90/12/70/425901270.db2.gz VZMKPHFEPLASBA-UHFFFAOYSA-N 2 2 320.481 2.815 50 0 DFAALP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1 ZINC000102438448 425920970 /nfs/dbraw/zinc/92/09/70/425920970.db2.gz PHHSNFMWCLUIRW-WBVHZDCISA-N 2 2 303.450 2.786 50 0 DFAALP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1 ZINC000102438448 425920973 /nfs/dbraw/zinc/92/09/73/425920973.db2.gz PHHSNFMWCLUIRW-WBVHZDCISA-N 2 2 303.450 2.786 50 0 DFAALP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)n1cc[nH+]c1)c1ccsc1 ZINC000048236920 425873765 /nfs/dbraw/zinc/87/37/65/425873765.db2.gz YGXYEUXTYPRQCO-UKRRQHHQSA-N 2 2 320.462 2.705 50 0 DFAALP CCn1cc[nH+]c1CN1CC[N@H+](CCc2cccs2)C[C@@H]1C ZINC000069615193 425949518 /nfs/dbraw/zinc/94/95/18/425949518.db2.gz NPJNDYLFVYMXSB-HNNXBMFYSA-N 2 2 318.490 2.713 50 0 DFAALP CCn1cc[nH+]c1CN1CC[N@@H+](CCc2cccs2)C[C@@H]1C ZINC000069615193 425949523 /nfs/dbraw/zinc/94/95/23/425949523.db2.gz NPJNDYLFVYMXSB-HNNXBMFYSA-N 2 2 318.490 2.713 50 0 DFAALP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1c1nc(C(C)C)no1 ZINC000077406884 426132306 /nfs/dbraw/zinc/13/23/06/426132306.db2.gz MRGJEAUIDPYCBQ-CQSZACIVSA-N 2 2 303.410 2.925 50 0 DFAALP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1c1nc(C(C)C)no1 ZINC000077406884 426132307 /nfs/dbraw/zinc/13/23/07/426132307.db2.gz MRGJEAUIDPYCBQ-CQSZACIVSA-N 2 2 303.410 2.925 50 0 DFAALP C[N@H+](C[C@@H]1CC=CCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121196188 426323443 /nfs/dbraw/zinc/32/34/43/426323443.db2.gz CUZKTHKAJPVSBU-QGZVFWFLSA-N 2 2 302.466 2.636 50 0 DFAALP C[N@@H+](C[C@@H]1CC=CCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121196188 426323446 /nfs/dbraw/zinc/32/34/46/426323446.db2.gz CUZKTHKAJPVSBU-QGZVFWFLSA-N 2 2 302.466 2.636 50 0 DFAALP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3noc(-c4ccsc4)n3)C2)[nH]1 ZINC000095971479 426380270 /nfs/dbraw/zinc/38/02/70/426380270.db2.gz WFCBDQLTALBUMX-LLVKDONJSA-N 2 2 315.402 2.901 50 0 DFAALP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3noc(-c4ccsc4)n3)C2)[nH]1 ZINC000095971479 426380275 /nfs/dbraw/zinc/38/02/75/426380275.db2.gz WFCBDQLTALBUMX-LLVKDONJSA-N 2 2 315.402 2.901 50 0 DFAALP COC(=O)c1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000095981717 426383252 /nfs/dbraw/zinc/38/32/52/426383252.db2.gz OUVMWURPELCGPJ-JSGCOSHPSA-N 2 2 319.430 2.814 50 0 DFAALP COC(=O)c1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000095981717 426383255 /nfs/dbraw/zinc/38/32/55/426383255.db2.gz OUVMWURPELCGPJ-JSGCOSHPSA-N 2 2 319.430 2.814 50 0 DFAALP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(F)ccc2Br)C1 ZINC000097047683 426442987 /nfs/dbraw/zinc/44/29/87/426442987.db2.gz QLYPAJBOTYVLMR-VHSXEESVSA-N 2 2 301.203 2.757 50 0 DFAALP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(F)ccc2Br)C1 ZINC000097047683 426442990 /nfs/dbraw/zinc/44/29/90/426442990.db2.gz QLYPAJBOTYVLMR-VHSXEESVSA-N 2 2 301.203 2.757 50 0 DFAALP Cc1noc(C)c1C[N@@H+]1CC[C@@H](CNc2ccc(C)c[nH+]2)C1 ZINC000097200759 426457700 /nfs/dbraw/zinc/45/77/00/426457700.db2.gz DTTGEWRUMCWUIS-HNNXBMFYSA-N 2 2 300.406 2.929 50 0 DFAALP Cc1noc(C)c1C[N@H+]1CC[C@@H](CNc2ccc(C)c[nH+]2)C1 ZINC000097200759 426457703 /nfs/dbraw/zinc/45/77/03/426457703.db2.gz DTTGEWRUMCWUIS-HNNXBMFYSA-N 2 2 300.406 2.929 50 0 DFAALP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](Cc3nnc(C4CC4)o3)C2)c1 ZINC000097200818 426458241 /nfs/dbraw/zinc/45/82/41/426458241.db2.gz UNDHXCCPILACID-CYBMUJFWSA-N 2 2 313.405 2.584 50 0 DFAALP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3nnc(C4CC4)o3)C2)c1 ZINC000097200818 426458242 /nfs/dbraw/zinc/45/82/42/426458242.db2.gz UNDHXCCPILACID-CYBMUJFWSA-N 2 2 313.405 2.584 50 0 DFAALP C[C@H](c1ccc(-c2cc(N)nc(N(C)C)[nH+]2)cc1)[NH+]1CCCC1 ZINC000097272425 426463377 /nfs/dbraw/zinc/46/33/77/426463377.db2.gz MLXCXOIXCAHWEG-CYBMUJFWSA-N 2 2 311.433 2.949 50 0 DFAALP CC[N@@H+]1CC[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000124177797 426473517 /nfs/dbraw/zinc/47/35/17/426473517.db2.gz YMDGUXUPAUXURQ-IBGZPJMESA-N 3 2 315.505 2.625 50 0 DFAALP CC[N@H+]1CC[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000124177797 426473521 /nfs/dbraw/zinc/47/35/21/426473521.db2.gz YMDGUXUPAUXURQ-IBGZPJMESA-N 3 2 315.505 2.625 50 0 DFAALP O[C@H](C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccc(F)cc1 ZINC000222198895 426581159 /nfs/dbraw/zinc/58/11/59/426581159.db2.gz KNENPSDASRINBO-WMLDXEAASA-N 2 2 315.392 2.688 50 0 DFAALP O[C@H](C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccc(F)cc1 ZINC000222198895 426581165 /nfs/dbraw/zinc/58/11/65/426581165.db2.gz KNENPSDASRINBO-WMLDXEAASA-N 2 2 315.392 2.688 50 0 DFAALP COC(=O)c1ccc([C@@H](C)[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)o1 ZINC000222121553 426582137 /nfs/dbraw/zinc/58/21/37/426582137.db2.gz IUSHTVIASZGRSU-TZMCWYRMSA-N 2 2 316.357 2.676 50 0 DFAALP COC(=O)c1ccc([C@@H](C)[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)o1 ZINC000222121553 426582142 /nfs/dbraw/zinc/58/21/42/426582142.db2.gz IUSHTVIASZGRSU-TZMCWYRMSA-N 2 2 316.357 2.676 50 0 DFAALP C[C@@H]1C[C@@H](NC[C@H](c2ccco2)[NH+]2CCCC2)C[N@@H+]1C1CC1 ZINC000230174790 426645467 /nfs/dbraw/zinc/64/54/67/426645467.db2.gz LVJHWRDJJGFDJF-BFYDXBDKSA-N 2 2 303.450 2.631 50 0 DFAALP C[C@@H]1C[C@@H](NC[C@H](c2ccco2)[NH+]2CCCC2)C[N@H+]1C1CC1 ZINC000230174790 426645472 /nfs/dbraw/zinc/64/54/72/426645472.db2.gz LVJHWRDJJGFDJF-BFYDXBDKSA-N 2 2 303.450 2.631 50 0 DFAALP CC(C)(C)n1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)nn1 ZINC000239722557 426713893 /nfs/dbraw/zinc/71/38/93/426713893.db2.gz CDJDBTAWSNVYRV-UHFFFAOYSA-N 2 2 319.497 2.920 50 0 DFAALP C[NH2+]C[C@H]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000178967479 426727819 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C[C@H](c1ccc(F)cc1F)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000071909031 290232718 /nfs/dbraw/zinc/23/27/18/290232718.db2.gz PRERJOMIHIBBEO-GDBMZVCRSA-N 2 2 323.431 2.738 50 0 DFAALP Cn1ccnc1[C@@H]([NH2+]C1CC[NH+](Cc2ccco2)CC1)C1CC1 ZINC000534639328 334310520 /nfs/dbraw/zinc/31/05/20/334310520.db2.gz WOMXWVFTEKZBKS-KRWDZBQOSA-N 2 2 314.433 2.718 50 0 DFAALP CCC[C@H](C)C(=O)Nc1ncc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)s1 ZINC000725272724 546414177 /nfs/dbraw/zinc/41/41/77/546414177.db2.gz UHQHIWVJGCUIDZ-OUCADQQQSA-N 2 2 324.494 2.687 50 0 DFAALP CCC[C@H](C)C(=O)Nc1ncc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)s1 ZINC000725272724 546414178 /nfs/dbraw/zinc/41/41/78/546414178.db2.gz UHQHIWVJGCUIDZ-OUCADQQQSA-N 2 2 324.494 2.687 50 0 DFAALP CCCN(Cc1[nH+]ccn1C)C(=O)[C@H](C)n1cc[nH+]c1C(C)C ZINC000095519598 185377072 /nfs/dbraw/zinc/37/70/72/185377072.db2.gz GKFDRGYULIKGLV-AWEZNQCLSA-N 2 2 317.437 2.740 50 0 DFAALP CC[NH+]1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000003683619 398348564 /nfs/dbraw/zinc/34/85/64/398348564.db2.gz FCNOVTQGQFZVAA-UHFFFAOYSA-N 3 2 301.478 2.725 50 0 DFAALP Cc1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1ccc(Br)o1)C2 ZINC000225567760 398349226 /nfs/dbraw/zinc/34/92/26/398349226.db2.gz YPYOARQSXVLPSC-SNVBAGLBSA-N 2 2 310.195 2.652 50 0 DFAALP CC(C)c1nnsc1C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000082120327 192357889 /nfs/dbraw/zinc/35/78/89/192357889.db2.gz IBFAKYLDWLRXFD-LBPRGKRZSA-N 2 2 305.451 2.775 50 0 DFAALP CC(C)c1nnsc1C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000082120327 192357890 /nfs/dbraw/zinc/35/78/90/192357890.db2.gz IBFAKYLDWLRXFD-LBPRGKRZSA-N 2 2 305.451 2.775 50 0 DFAALP C[C@@H]1CN(c2cc(CNc3cc[nH+]cc3Cl)cc[nH+]2)CCO1 ZINC000095408663 185356600 /nfs/dbraw/zinc/35/66/00/185356600.db2.gz IBOKNFUYERQAME-GFCCVEGCSA-N 2 2 318.808 2.967 50 0 DFAALP C[C@H]1CN(c2cc(CNc3cc[nH+]cc3Cl)cc[nH+]2)CCO1 ZINC000095408664 185356728 /nfs/dbraw/zinc/35/67/28/185356728.db2.gz IBOKNFUYERQAME-LBPRGKRZSA-N 2 2 318.808 2.967 50 0 DFAALP O[C@H](C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)c1cccc(Cl)c1 ZINC000095428229 185362290 /nfs/dbraw/zinc/36/22/90/185362290.db2.gz MXZCPZKKZPMWIU-DLBZAZTESA-N 2 2 318.804 2.922 50 0 DFAALP O[C@H](C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)c1cccc(Cl)c1 ZINC000095428229 185362291 /nfs/dbraw/zinc/36/22/91/185362291.db2.gz MXZCPZKKZPMWIU-DLBZAZTESA-N 2 2 318.804 2.922 50 0 DFAALP COc1ccc2[nH]c(CC[NH2+]C3CSCCSC3)[nH+]c2c1 ZINC000584899544 398430069 /nfs/dbraw/zinc/43/00/69/398430069.db2.gz YKJULQFUKNRRRW-UHFFFAOYSA-N 2 2 323.487 2.552 50 0 DFAALP OCC[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000585134894 398434365 /nfs/dbraw/zinc/43/43/65/398434365.db2.gz OIANEYHZGCFXAG-QRVBRYPASA-N 2 2 302.462 2.759 50 0 DFAALP OCC[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000585134894 398434368 /nfs/dbraw/zinc/43/43/68/398434368.db2.gz OIANEYHZGCFXAG-QRVBRYPASA-N 2 2 302.462 2.759 50 0 DFAALP Cc1c2ccccc2[nH]c1C[N@H+](C)Cc1cc2n(n1)CCC[NH2+]C2 ZINC000072158407 191061597 /nfs/dbraw/zinc/06/15/97/191061597.db2.gz LPZGDJPGOYCOIG-UHFFFAOYSA-N 2 2 323.444 2.798 50 0 DFAALP Cc1c2ccccc2[nH]c1C[N@@H+](C)Cc1cc2n(n1)CCC[NH2+]C2 ZINC000072158407 191061601 /nfs/dbraw/zinc/06/16/01/191061601.db2.gz LPZGDJPGOYCOIG-UHFFFAOYSA-N 2 2 323.444 2.798 50 0 DFAALP OC[C@H]1CCCCC[C@@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000097236286 398667206 /nfs/dbraw/zinc/66/72/06/398667206.db2.gz KEDSNRCFWQDXGS-HIFRSBDPSA-N 2 2 322.415 2.934 50 0 DFAALP CC(C)C[N@@H+]1CCC[C@@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 ZINC000072424475 191160343 /nfs/dbraw/zinc/16/03/43/191160343.db2.gz DDMXUSPGUDMFOQ-MRXNPFEDSA-N 2 2 319.497 2.636 50 0 DFAALP CC(C)C[N@H+]1CCC[C@@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 ZINC000072424475 191160346 /nfs/dbraw/zinc/16/03/46/191160346.db2.gz DDMXUSPGUDMFOQ-MRXNPFEDSA-N 2 2 319.497 2.636 50 0 DFAALP CNc1cc[nH+]c(N[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)n1 ZINC000072453476 191171847 /nfs/dbraw/zinc/17/18/47/191171847.db2.gz FJYHRRYFLNYGGJ-INIZCTEOSA-N 2 2 323.444 2.562 50 0 DFAALP CNc1cc[nH+]c(N[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)n1 ZINC000072453476 191171850 /nfs/dbraw/zinc/17/18/50/191171850.db2.gz FJYHRRYFLNYGGJ-INIZCTEOSA-N 2 2 323.444 2.562 50 0 DFAALP Nc1cc(N[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)nc[nH+]1 ZINC000072473341 191174911 /nfs/dbraw/zinc/17/49/11/191174911.db2.gz SDLZOFXJCMMPIX-MRXNPFEDSA-N 2 2 311.433 2.568 50 0 DFAALP Nc1cc(N[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)nc[nH+]1 ZINC000072473341 191174912 /nfs/dbraw/zinc/17/49/12/191174912.db2.gz SDLZOFXJCMMPIX-MRXNPFEDSA-N 2 2 311.433 2.568 50 0 DFAALP CC(C)([NH3+])C[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000072475813 191177678 /nfs/dbraw/zinc/17/76/78/191177678.db2.gz JWYQCFHWCQPRGY-UHFFFAOYSA-N 2 2 316.367 2.726 50 0 DFAALP C[N@H+](Cc1ccc(Cl)nc1)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000072664346 191211439 /nfs/dbraw/zinc/21/14/39/191211439.db2.gz IAWNHYTVPQXJNI-HNNXBMFYSA-N 2 2 323.868 2.668 50 0 DFAALP C[N@@H+](Cc1ccc(Cl)nc1)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000072664346 191211442 /nfs/dbraw/zinc/21/14/42/191211442.db2.gz IAWNHYTVPQXJNI-HNNXBMFYSA-N 2 2 323.868 2.668 50 0 DFAALP Cc1[nH+]c(N)nc(N(C)Cc2[nH+]ccn2Cc2ccccc2)c1C ZINC000091665721 193087901 /nfs/dbraw/zinc/08/79/01/193087901.db2.gz UIGXETTZVZINPO-UHFFFAOYSA-N 2 2 322.416 2.557 50 0 DFAALP Cc1cc(F)ccc1C[N@H+]1CC[C@H]([NH+](C)C)[C@H](CCCO)C1 ZINC000091793057 193109381 /nfs/dbraw/zinc/10/93/81/193109381.db2.gz VNPZHIWOBCDFOV-AEFFLSMTSA-N 2 2 308.441 2.659 50 0 DFAALP Cc1cc(F)ccc1C[N@@H+]1CC[C@H]([NH+](C)C)[C@H](CCCO)C1 ZINC000091793057 193109382 /nfs/dbraw/zinc/10/93/82/193109382.db2.gz VNPZHIWOBCDFOV-AEFFLSMTSA-N 2 2 308.441 2.659 50 0 DFAALP CCn1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000282818560 217272181 /nfs/dbraw/zinc/27/21/81/217272181.db2.gz TZOYBYVFUPNWPA-MRXNPFEDSA-N 2 2 313.449 2.815 50 0 DFAALP CCn1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000282818560 217272183 /nfs/dbraw/zinc/27/21/83/217272183.db2.gz TZOYBYVFUPNWPA-MRXNPFEDSA-N 2 2 313.449 2.815 50 0 DFAALP COc1ccc(Br)cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000039170049 183015201 /nfs/dbraw/zinc/01/52/01/183015201.db2.gz KXQCLUVGUFSBBY-UHFFFAOYSA-N 2 2 324.222 2.834 50 0 DFAALP CCOC(=O)N1CCC([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000065376034 184331293 /nfs/dbraw/zinc/33/12/93/184331293.db2.gz LNKCMEQKRGDGGM-OAHLLOKOSA-N 2 2 322.453 2.508 50 0 DFAALP CN(Cc1[nH+]ccn1Cc1ccccc1)c1[nH+]cnc2[nH]ccc21 ZINC000065410410 184339821 /nfs/dbraw/zinc/33/98/21/184339821.db2.gz HXVVRKYKUYBJHH-UHFFFAOYSA-N 2 2 318.384 2.839 50 0 DFAALP Nc1nc(N2CCC(c3ccccc3)CC2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000223451114 542886133 /nfs/dbraw/zinc/88/61/33/542886133.db2.gz PAWRXLPHGZVYRB-UHFFFAOYSA-N 2 2 323.444 2.648 50 0 DFAALP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccncc2Cl)CC1 ZINC000670445288 544041205 /nfs/dbraw/zinc/04/12/05/544041205.db2.gz KZRYXSNGMHICSV-UHFFFAOYSA-N 2 2 302.809 2.761 50 0 DFAALP CC(C)c1ccc(-c2cc(N3CC[NH+](C)CC3)nc(N)[nH+]2)cc1 ZINC000065528043 425902995 /nfs/dbraw/zinc/90/29/95/425902995.db2.gz GKMXYIWHYKDUCG-UHFFFAOYSA-N 2 2 311.433 2.601 50 0 DFAALP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCc3nc4ccccc4[nH]3)C2)cc1 ZINC000067491004 425911020 /nfs/dbraw/zinc/91/10/20/425911020.db2.gz PCVKHADUJUIQHA-QGZVFWFLSA-N 2 2 320.440 2.970 50 0 DFAALP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCc3nc4ccccc4[nH]3)C2)cc1 ZINC000067491004 425911021 /nfs/dbraw/zinc/91/10/21/425911021.db2.gz PCVKHADUJUIQHA-QGZVFWFLSA-N 2 2 320.440 2.970 50 0 DFAALP CC[N@H+](CCc1[nH]c2ccc(OC)cc2[nH+]1)C1CCOCC1 ZINC000067605567 425911759 /nfs/dbraw/zinc/91/17/59/425911759.db2.gz CYJJWGPJBMBWPY-UHFFFAOYSA-N 2 2 303.406 2.615 50 0 DFAALP CC[N@@H+](CCc1[nH]c2ccc(OC)cc2[nH+]1)C1CCOCC1 ZINC000067605567 425911760 /nfs/dbraw/zinc/91/17/60/425911760.db2.gz CYJJWGPJBMBWPY-UHFFFAOYSA-N 2 2 303.406 2.615 50 0 DFAALP c1c(Cc2ccccc2)n[nH]c1C1CC[NH+]([C@@H]2CCC[NH2+]C2)CC1 ZINC000067842519 425914063 /nfs/dbraw/zinc/91/40/63/425914063.db2.gz GDXKTCRUTQZFGZ-LJQANCHMSA-N 2 2 324.472 2.932 50 0 DFAALP c1c(Cc2ccccc2)[nH]nc1C1CC[NH+]([C@@H]2CCC[NH2+]C2)CC1 ZINC000067842519 425914064 /nfs/dbraw/zinc/91/40/64/425914064.db2.gz GDXKTCRUTQZFGZ-LJQANCHMSA-N 2 2 324.472 2.932 50 0 DFAALP COc1cc(C[NH2+]CCCn2cc[nH+]c2)cc(Cl)c1OC ZINC000034991021 425842795 /nfs/dbraw/zinc/84/27/95/425842795.db2.gz JRKYNOYUDYEVQT-UHFFFAOYSA-N 2 2 309.797 2.734 50 0 DFAALP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)n1cc[nH+]c1)c1ccsc1 ZINC000048236923 425873821 /nfs/dbraw/zinc/87/38/21/425873821.db2.gz YGXYEUXTYPRQCO-DZGCQCFKSA-N 2 2 320.462 2.705 50 0 DFAALP O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000071837230 425994805 /nfs/dbraw/zinc/99/48/05/425994805.db2.gz LJRMENWWPVCNAY-QGZVFWFLSA-N 2 2 320.396 2.728 50 0 DFAALP Cc1noc([C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000069530206 425945140 /nfs/dbraw/zinc/94/51/40/425945140.db2.gz SWCNLKBBBCBMCM-MRXNPFEDSA-N 2 2 323.400 2.943 50 0 DFAALP Cc1noc([C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000069530206 425945141 /nfs/dbraw/zinc/94/51/41/425945141.db2.gz SWCNLKBBBCBMCM-MRXNPFEDSA-N 2 2 323.400 2.943 50 0 DFAALP C[C@H](C(=O)N1CCCC1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000069590583 425947256 /nfs/dbraw/zinc/94/72/56/425947256.db2.gz JPGVKJDCIDRRAT-QZTJIDSGSA-N 2 2 321.509 2.585 50 0 DFAALP C[C@H](C(=O)N1CCCC1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000069590583 425947258 /nfs/dbraw/zinc/94/72/58/425947258.db2.gz JPGVKJDCIDRRAT-QZTJIDSGSA-N 2 2 321.509 2.585 50 0 DFAALP c1ccc(CC[N@@H+]2CCCN(c3[nH]c4ccccc4[nH+]3)CC2)nc1 ZINC000069815534 425958804 /nfs/dbraw/zinc/95/88/04/425958804.db2.gz ZUCKPUMJSUPNBC-UHFFFAOYSA-N 2 2 321.428 2.713 50 0 DFAALP c1ccc(CC[N@H+]2CCCN(c3[nH]c4ccccc4[nH+]3)CC2)nc1 ZINC000069815534 425958807 /nfs/dbraw/zinc/95/88/07/425958807.db2.gz ZUCKPUMJSUPNBC-UHFFFAOYSA-N 2 2 321.428 2.713 50 0 DFAALP CCOc1ccc(C[N@@H+]2CCC[C@@](O)(C[NH+]3CCCC3)C2)cc1 ZINC000077286872 426126512 /nfs/dbraw/zinc/12/65/12/426126512.db2.gz OLIYQOWZCGDMRG-LJQANCHMSA-N 2 2 318.461 2.508 50 0 DFAALP CCOc1ccc(C[N@H+]2CCC[C@@](O)(C[NH+]3CCCC3)C2)cc1 ZINC000077286872 426126514 /nfs/dbraw/zinc/12/65/14/426126514.db2.gz OLIYQOWZCGDMRG-LJQANCHMSA-N 2 2 318.461 2.508 50 0 DFAALP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)c(C)o2)[C@H](C)C1 ZINC000170023213 426137488 /nfs/dbraw/zinc/13/74/88/426137488.db2.gz OOVPAUSPEWBZET-MLGOLLRUSA-N 2 2 308.422 2.537 50 0 DFAALP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)c(C)o2)[C@H](C)C1 ZINC000170023213 426137491 /nfs/dbraw/zinc/13/74/91/426137491.db2.gz OOVPAUSPEWBZET-MLGOLLRUSA-N 2 2 308.422 2.537 50 0 DFAALP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C(=O)OC)c(C)o2)[C@H](C)C1 ZINC000170023213 426137494 /nfs/dbraw/zinc/13/74/94/426137494.db2.gz OOVPAUSPEWBZET-MLGOLLRUSA-N 2 2 308.422 2.537 50 0 DFAALP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C(=O)OC)c(C)o2)[C@H](C)C1 ZINC000170023213 426137495 /nfs/dbraw/zinc/13/74/95/426137495.db2.gz OOVPAUSPEWBZET-MLGOLLRUSA-N 2 2 308.422 2.537 50 0 DFAALP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000078552993 426174986 /nfs/dbraw/zinc/17/49/86/426174986.db2.gz CQYGSRUFGFHXGH-KXBFYZLASA-N 2 2 323.440 2.711 50 0 DFAALP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000078552993 426174987 /nfs/dbraw/zinc/17/49/87/426174987.db2.gz CQYGSRUFGFHXGH-KXBFYZLASA-N 2 2 323.440 2.711 50 0 DFAALP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2cc(C)sc2C)CC1 ZINC000095350319 426366397 /nfs/dbraw/zinc/36/63/97/426366397.db2.gz OBEJDYMXLVUVRL-KGLIPLIRSA-N 2 2 323.506 2.568 50 0 DFAALP CCCOC(=O)N1CCC[C@@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095360094 426367939 /nfs/dbraw/zinc/36/79/39/426367939.db2.gz CXOQXFAZAGOGCK-OAHLLOKOSA-N 2 2 322.453 2.561 50 0 DFAALP Cc1ccc[nH+]c1N1CCC[C@H](c2[nH+]ccn2CC[NH+](C)C)C1 ZINC000095375321 426369802 /nfs/dbraw/zinc/36/98/02/426369802.db2.gz CVUGDLZYMXWDGX-INIZCTEOSA-N 3 2 313.449 2.532 50 0 DFAALP Cc1cccc([C@H](C(=O)NCc2c[nH+]c(C)cc2C)[NH+](C)C)c1 ZINC000095380994 426371490 /nfs/dbraw/zinc/37/14/90/426371490.db2.gz GYOWOSZDYSFAMF-GOSISDBHSA-N 2 2 311.429 2.926 50 0 DFAALP COc1ccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1Br ZINC000097053163 426444142 /nfs/dbraw/zinc/44/41/42/426444142.db2.gz JUGNYOLXLIDYSW-JQWIXIFHSA-N 2 2 313.239 2.627 50 0 DFAALP COc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1Br ZINC000097053163 426444145 /nfs/dbraw/zinc/44/41/45/426444145.db2.gz JUGNYOLXLIDYSW-JQWIXIFHSA-N 2 2 313.239 2.627 50 0 DFAALP C[C@@H](c1ccc(-c2cc(N)nc(N(C)C)[nH+]2)cc1)[NH+]1CCCC1 ZINC000097272424 426462858 /nfs/dbraw/zinc/46/28/58/426462858.db2.gz MLXCXOIXCAHWEG-ZDUSSCGKSA-N 2 2 311.433 2.949 50 0 DFAALP C[N@H+](Cc1ccc(C[NH+]2CCCC2)s1)Cc1cnccn1 ZINC000097698749 426473674 /nfs/dbraw/zinc/47/36/74/426473674.db2.gz ISIHJYZKPQHDEN-UHFFFAOYSA-N 2 2 302.447 2.766 50 0 DFAALP C[N@@H+](Cc1ccc(C[NH+]2CCCC2)s1)Cc1cnccn1 ZINC000097698749 426473679 /nfs/dbraw/zinc/47/36/79/426473679.db2.gz ISIHJYZKPQHDEN-UHFFFAOYSA-N 2 2 302.447 2.766 50 0 DFAALP O[C@@H](C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1F ZINC000222199400 426581520 /nfs/dbraw/zinc/58/15/20/426581520.db2.gz FPSLOCIIMRDWCA-YOEHRIQHSA-N 2 2 315.392 2.688 50 0 DFAALP O[C@@H](C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1F ZINC000222199400 426581521 /nfs/dbraw/zinc/58/15/21/426581521.db2.gz FPSLOCIIMRDWCA-YOEHRIQHSA-N 2 2 315.392 2.688 50 0 DFAALP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1nc2ccc(F)cc2[nH]1 ZINC000240971689 426715304 /nfs/dbraw/zinc/71/53/04/426715304.db2.gz UBEFTJFCZVBANE-UHFFFAOYSA-N 2 2 315.396 2.772 50 0 DFAALP Cc1[nH+]ccn1CCC[N@H+](C)CCc1nc2ccc(F)cc2[nH]1 ZINC000240971689 426715305 /nfs/dbraw/zinc/71/53/05/426715305.db2.gz UBEFTJFCZVBANE-UHFFFAOYSA-N 2 2 315.396 2.772 50 0 DFAALP Cc1ccc(-c2ccnc(N3CC[N@@H+]4CCCC[C@H]4C3)n2)c(C)[nH+]1 ZINC000244884294 426728998 /nfs/dbraw/zinc/72/89/98/426728998.db2.gz YJGXEFVVYMPCKV-INIZCTEOSA-N 2 2 323.444 2.830 50 0 DFAALP Cc1ccc(-c2ccnc(N3CC[N@H+]4CCCC[C@H]4C3)n2)c(C)[nH+]1 ZINC000244884294 426729003 /nfs/dbraw/zinc/72/90/03/426729003.db2.gz YJGXEFVVYMPCKV-INIZCTEOSA-N 2 2 323.444 2.830 50 0 DFAALP Cc1n[nH]cc1C[NH+]1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000275532995 426864749 /nfs/dbraw/zinc/86/47/49/426864749.db2.gz DUEXUCYCPITJTH-GOSISDBHSA-N 2 2 313.449 2.600 50 0 DFAALP Cc1n[nH]cc1C[NH+]1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000275532995 426864753 /nfs/dbraw/zinc/86/47/53/426864753.db2.gz DUEXUCYCPITJTH-GOSISDBHSA-N 2 2 313.449 2.600 50 0 DFAALP Cc1n[nH]cc1C[N@H+]1CCC[C@@H]([NH+](C)Cc2ccccn2)CC1 ZINC000275532995 426864762 /nfs/dbraw/zinc/86/47/62/426864762.db2.gz DUEXUCYCPITJTH-GOSISDBHSA-N 2 2 313.449 2.600 50 0 DFAALP Cc1n[nH]cc1C[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccn2)CC1 ZINC000275532995 426864766 /nfs/dbraw/zinc/86/47/66/426864766.db2.gz DUEXUCYCPITJTH-GOSISDBHSA-N 2 2 313.449 2.600 50 0 DFAALP Cc1ncc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)s1 ZINC000275696002 426899355 /nfs/dbraw/zinc/89/93/55/426899355.db2.gz NDCQWCWMDBMBAF-INIZCTEOSA-N 2 2 316.474 2.991 50 0 DFAALP Cc1ncc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)s1 ZINC000275696002 426899358 /nfs/dbraw/zinc/89/93/58/426899358.db2.gz NDCQWCWMDBMBAF-INIZCTEOSA-N 2 2 316.474 2.991 50 0 DFAALP Cc1c[nH+]ccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000189755352 426943229 /nfs/dbraw/zinc/94/32/29/426943229.db2.gz BQEINQYGMOXOSC-DLBZAZTESA-N 2 2 310.401 2.957 50 0 DFAALP Cc1c[nH+]ccc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000189755352 426943238 /nfs/dbraw/zinc/94/32/38/426943238.db2.gz BQEINQYGMOXOSC-DLBZAZTESA-N 2 2 310.401 2.957 50 0 DFAALP Cc1ccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000328627201 533906870 /nfs/dbraw/zinc/90/68/70/533906870.db2.gz FVIDOGNTRITGSY-IBGZPJMESA-N 2 2 310.445 2.929 50 0 DFAALP Cc1ccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000328627201 533906875 /nfs/dbraw/zinc/90/68/75/533906875.db2.gz FVIDOGNTRITGSY-IBGZPJMESA-N 2 2 310.445 2.929 50 0 DFAALP Cc1nc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cs1 ZINC000328653408 534386637 /nfs/dbraw/zinc/38/66/37/534386637.db2.gz WVMAETIUHRWJCY-HOCLYGCPSA-N 2 2 302.447 2.629 50 0 DFAALP Cc1nc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cs1 ZINC000328653408 534386646 /nfs/dbraw/zinc/38/66/46/534386646.db2.gz WVMAETIUHRWJCY-HOCLYGCPSA-N 2 2 302.447 2.629 50 0 DFAALP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc3c[nH]nc3c2)cc1 ZINC000685940011 546412206 /nfs/dbraw/zinc/41/22/06/546412206.db2.gz KIYDVBLDCKDQPF-HKUYNNGSSA-N 2 2 324.403 2.937 50 0 DFAALP COC1CCC([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)CC1 ZINC000328634956 231270550 /nfs/dbraw/zinc/27/05/50/231270550.db2.gz MZPFMWXUJBLZFO-BFWZDYSYSA-N 2 2 303.450 2.622 50 0 DFAALP COC1CCC([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)CC1 ZINC000328634956 231270552 /nfs/dbraw/zinc/27/05/52/231270552.db2.gz MZPFMWXUJBLZFO-BFWZDYSYSA-N 2 2 303.450 2.622 50 0 DFAALP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCCn3cc[nH+]c3)CC2)C1 ZINC000095419078 185359721 /nfs/dbraw/zinc/35/97/21/185359721.db2.gz UCXAVMJGMOOOLO-SJLPKXTDSA-N 3 2 304.482 2.906 50 0 DFAALP Cc1n[nH]cc1C[N@@H+](C)C1CC[NH+](CCc2ccccc2)CC1 ZINC000584892341 398428275 /nfs/dbraw/zinc/42/82/75/398428275.db2.gz OYHVXGPFNDEHAB-UHFFFAOYSA-N 2 2 312.461 2.857 50 0 DFAALP Cc1n[nH]cc1C[N@H+](C)C1CC[NH+](CCc2ccccc2)CC1 ZINC000584892341 398428280 /nfs/dbraw/zinc/42/82/80/398428280.db2.gz OYHVXGPFNDEHAB-UHFFFAOYSA-N 2 2 312.461 2.857 50 0 DFAALP CC[NH+](CC)CCN1CCC[C@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000328626484 398567369 /nfs/dbraw/zinc/56/73/69/398567369.db2.gz FCTZGQSPVJBASV-KRWDZBQOSA-N 2 2 304.482 2.778 50 0 DFAALP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccnc3)C2)nc1 ZINC000097228135 398666318 /nfs/dbraw/zinc/66/63/18/398666318.db2.gz CBFWVYBAUWKHCG-GOSISDBHSA-N 2 2 310.445 2.787 50 0 DFAALP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccnc3)C2)nc1 ZINC000097228135 398666322 /nfs/dbraw/zinc/66/63/22/398666322.db2.gz CBFWVYBAUWKHCG-GOSISDBHSA-N 2 2 310.445 2.787 50 0 DFAALP OC1CC[NH+](C2CC[NH+](Cc3ccc4occc4c3)CC2)CC1 ZINC000072411823 191155533 /nfs/dbraw/zinc/15/55/33/191155533.db2.gz SPGXNFNEPGMGQW-UHFFFAOYSA-N 2 2 314.429 2.854 50 0 DFAALP c1cn(Cc2ccccc2)c(CN2CC[N@@H+]3CCCC[C@@H]3C2)[nH+]1 ZINC000172802234 198150706 /nfs/dbraw/zinc/15/07/06/198150706.db2.gz MBFPLPQKJRVTIO-GOSISDBHSA-N 2 2 310.445 2.602 50 0 DFAALP c1cn(Cc2ccccc2)c(CN2CC[N@H+]3CCCC[C@@H]3C2)[nH+]1 ZINC000172802234 198150707 /nfs/dbraw/zinc/15/07/07/198150707.db2.gz MBFPLPQKJRVTIO-GOSISDBHSA-N 2 2 310.445 2.602 50 0 DFAALP O=C(c1ccc(Oc2cc[nH+]cc2)c(Cl)c1)N1CC[NH2+]CC1 ZINC000237687388 202329147 /nfs/dbraw/zinc/32/91/47/202329147.db2.gz LRWVDARIFQVWGW-UHFFFAOYSA-N 2 2 317.776 2.573 50 0 DFAALP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2cccc3cc[nH]c32)CCO1 ZINC000275359176 212290279 /nfs/dbraw/zinc/29/02/79/212290279.db2.gz ASWSWAZOWCNEIS-NVXWUHKLSA-N 2 2 310.401 2.911 50 0 DFAALP Cc1ccc(Cn2ncc3c2nc[nH+]c3NCCC[NH+](C)C)cc1 ZINC000006760316 181384539 /nfs/dbraw/zinc/38/45/39/181384539.db2.gz UGQSOEXRTMESPZ-UHFFFAOYSA-N 2 2 324.432 2.547 50 0 DFAALP Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2[nH]c[nH+]c2C)C3)o1 ZINC000091808271 193111689 /nfs/dbraw/zinc/11/16/89/193111689.db2.gz QWABNVZUOFYXSK-JKSUJKDBSA-N 2 2 314.433 2.716 50 0 DFAALP Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2[nH]c[nH+]c2C)C3)o1 ZINC000091808271 193111691 /nfs/dbraw/zinc/11/16/91/193111691.db2.gz QWABNVZUOFYXSK-JKSUJKDBSA-N 2 2 314.433 2.716 50 0 DFAALP Cc1cc(C[N@@H+]2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)no1 ZINC000275302702 212259911 /nfs/dbraw/zinc/25/99/11/212259911.db2.gz NCKSWGBSJLMAPA-OAHLLOKOSA-N 2 2 300.406 2.814 50 0 DFAALP Cc1cc(C[N@H+]2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)no1 ZINC000275302702 212259915 /nfs/dbraw/zinc/25/99/15/212259915.db2.gz NCKSWGBSJLMAPA-OAHLLOKOSA-N 2 2 300.406 2.814 50 0 DFAALP CCCn1nc(C)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1C ZINC000093865724 193320633 /nfs/dbraw/zinc/32/06/33/193320633.db2.gz KVKYMTNJNZAZLJ-QGZVFWFLSA-N 2 2 314.433 2.958 50 0 DFAALP CCCn1nc(C)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1C ZINC000093865724 193320635 /nfs/dbraw/zinc/32/06/35/193320635.db2.gz KVKYMTNJNZAZLJ-QGZVFWFLSA-N 2 2 314.433 2.958 50 0 DFAALP Cc1ccn2cc(CNC(=O)[C@H](c3ccccc3)[NH+](C)C)[nH+]c2c1 ZINC000058393978 184112671 /nfs/dbraw/zinc/11/26/71/184112671.db2.gz LUGONILRDVGWHC-SFHVURJKSA-N 2 2 322.412 2.562 50 0 DFAALP Cc1[nH]c(CN2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c[nH+]1 ZINC000065381930 184331857 /nfs/dbraw/zinc/33/18/57/184331857.db2.gz SBECYLHBYZEKEY-UHFFFAOYSA-N 2 2 314.477 2.805 50 0 DFAALP Cc1[nH]cc(CN2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)[nH+]1 ZINC000065381930 184331858 /nfs/dbraw/zinc/33/18/58/184331858.db2.gz SBECYLHBYZEKEY-UHFFFAOYSA-N 2 2 314.477 2.805 50 0 DFAALP O=C1OCC2(CC[NH+](Cc3c[nH+]cn3C3CCCCC3)CC2)O1 ZINC000299761975 284946502 /nfs/dbraw/zinc/94/65/02/284946502.db2.gz CNFPQPMENUBDHW-UHFFFAOYSA-N 2 2 319.405 2.890 50 0 DFAALP O=C(NCCCc1[nH]cc[nH+]1)C1([NH+]2CCCCC2)CCCCC1 ZINC000426423342 257251346 /nfs/dbraw/zinc/25/13/46/257251346.db2.gz IZEHCTUQLVIGDJ-UHFFFAOYSA-N 2 2 318.465 2.647 50 0 DFAALP O[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072035672 184924018 /nfs/dbraw/zinc/92/40/18/184924018.db2.gz DTVIGIGNFDKWOK-RBUKOAKNSA-N 2 2 305.381 2.620 50 0 DFAALP CCn1ncnc1C[N@@H+]1CCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000215667827 542872522 /nfs/dbraw/zinc/87/25/22/542872522.db2.gz DZYZRAQICPELGV-KRWDZBQOSA-N 2 2 313.449 2.697 50 0 DFAALP CCn1ncnc1C[N@H+]1CCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000215667827 542872524 /nfs/dbraw/zinc/87/25/24/542872524.db2.gz DZYZRAQICPELGV-KRWDZBQOSA-N 2 2 313.449 2.697 50 0 DFAALP CC[NH+](CC)Cc1cccc(CNc2[nH+]cnc3c2cnn3C)c1 ZINC000052427878 425884585 /nfs/dbraw/zinc/88/45/85/425884585.db2.gz PPUQLYIUAYAQRN-UHFFFAOYSA-N 2 2 324.432 2.817 50 0 DFAALP C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249803600 146206505 /nfs/dbraw/zinc/20/65/05/146206505.db2.gz ASWKPKOETKLQGU-HOTGVXAUSA-N 2 2 324.428 2.843 50 0 DFAALP C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249803600 146206507 /nfs/dbraw/zinc/20/65/07/146206507.db2.gz ASWKPKOETKLQGU-HOTGVXAUSA-N 2 2 324.428 2.843 50 0 DFAALP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(OC(C)(C)C)cc1 ZINC000157061471 287033887 /nfs/dbraw/zinc/03/38/87/287033887.db2.gz SELGSYAGVUIXNS-NVXWUHKLSA-N 2 2 319.493 2.760 50 0 DFAALP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(OC(C)(C)C)cc1 ZINC000157061471 287033889 /nfs/dbraw/zinc/03/38/89/287033889.db2.gz SELGSYAGVUIXNS-NVXWUHKLSA-N 2 2 319.493 2.760 50 0 DFAALP C[C@H](c1ccc(C(=O)NCCc2c[nH+]c[nH]2)o1)[NH+]1CCCCC1 ZINC000055153146 425892321 /nfs/dbraw/zinc/89/23/21/425892321.db2.gz XQHBYMNZUFERNA-CYBMUJFWSA-N 2 2 316.405 2.522 50 0 DFAALP C[C@H](c1ccc(C(=O)NCCc2c[nH]c[nH+]2)o1)[NH+]1CCCCC1 ZINC000055153146 425892322 /nfs/dbraw/zinc/89/23/22/425892322.db2.gz XQHBYMNZUFERNA-CYBMUJFWSA-N 2 2 316.405 2.522 50 0 DFAALP Cc1cccc(-n2cc(C[N@@H+](C)CCc3[nH+]ccn3C)cn2)c1 ZINC000670440423 544040516 /nfs/dbraw/zinc/04/05/16/544040516.db2.gz RWLVWYRUXBCDRN-UHFFFAOYSA-N 2 2 309.417 2.589 50 0 DFAALP Cc1cccc(-n2cc(C[N@H+](C)CCc3[nH+]ccn3C)cn2)c1 ZINC000670440423 544040518 /nfs/dbraw/zinc/04/05/18/544040518.db2.gz RWLVWYRUXBCDRN-UHFFFAOYSA-N 2 2 309.417 2.589 50 0 DFAALP Cn1cc[nH+]c1CC[N@@H+]1CCC[C@@H](COc2cccc(F)c2)C1 ZINC000670444364 544040953 /nfs/dbraw/zinc/04/09/53/544040953.db2.gz OMMLQZRKDWTHFX-OAHLLOKOSA-N 2 2 317.408 2.893 50 0 DFAALP Cn1cc[nH+]c1CC[N@H+]1CCC[C@@H](COc2cccc(F)c2)C1 ZINC000670444364 544040956 /nfs/dbraw/zinc/04/09/56/544040956.db2.gz OMMLQZRKDWTHFX-OAHLLOKOSA-N 2 2 317.408 2.893 50 0 DFAALP Cc1[nH+]cn(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000670451676 544042826 /nfs/dbraw/zinc/04/28/26/544042826.db2.gz BSAORBUZRBSPHC-UHFFFAOYSA-N 3 2 312.461 2.754 50 0 DFAALP CCCc1cc(N2CCC([NH+]3CCSCC3)CC2)nc(C)[nH+]1 ZINC000065493322 425903062 /nfs/dbraw/zinc/90/30/62/425903062.db2.gz UZMLBNXYJLHOIG-UHFFFAOYSA-N 2 2 320.506 2.755 50 0 DFAALP COc1ccccc1N1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000000207672 425545192 /nfs/dbraw/zinc/54/51/92/425545192.db2.gz MYNSDSVKRCTOAI-UHFFFAOYSA-N 2 2 317.477 2.690 50 0 DFAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)CC3=CCCCC3)C2)CC1 ZINC000012708274 425735512 /nfs/dbraw/zinc/73/55/12/425735512.db2.gz ICNROTYRCRAHFS-QGZVFWFLSA-N 2 2 319.493 2.552 50 0 DFAALP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)CC3=CCCCC3)C2)CC1 ZINC000012708274 425735515 /nfs/dbraw/zinc/73/55/15/425735515.db2.gz ICNROTYRCRAHFS-QGZVFWFLSA-N 2 2 319.493 2.552 50 0 DFAALP CCOc1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1Cl ZINC000020177136 425792009 /nfs/dbraw/zinc/79/20/09/425792009.db2.gz CQUWRCHTHPZSCL-UHFFFAOYSA-N 2 2 312.841 2.551 50 0 DFAALP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)CCOC ZINC000069699439 425954468 /nfs/dbraw/zinc/95/44/68/425954468.db2.gz PTWLTLYOUWTMCV-UHFFFAOYSA-N 2 2 317.433 2.821 50 0 DFAALP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)CCOC ZINC000069699439 425954472 /nfs/dbraw/zinc/95/44/72/425954472.db2.gz PTWLTLYOUWTMCV-UHFFFAOYSA-N 2 2 317.433 2.821 50 0 DFAALP c1cn(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c[nH+]1 ZINC000131746008 426166467 /nfs/dbraw/zinc/16/64/67/426166467.db2.gz XKMMBROULDIIDK-UXHICEINSA-N 3 2 324.472 2.870 50 0 DFAALP c1cn(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c[nH+]1 ZINC000131746008 426166469 /nfs/dbraw/zinc/16/64/69/426166469.db2.gz XKMMBROULDIIDK-UXHICEINSA-N 3 2 324.472 2.870 50 0 DFAALP c1cn(CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c[nH+]1 ZINC000131746008 426166471 /nfs/dbraw/zinc/16/64/71/426166471.db2.gz XKMMBROULDIIDK-UXHICEINSA-N 3 2 324.472 2.870 50 0 DFAALP c1cn(CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c[nH+]1 ZINC000131746008 426166472 /nfs/dbraw/zinc/16/64/72/426166472.db2.gz XKMMBROULDIIDK-UXHICEINSA-N 3 2 324.472 2.870 50 0 DFAALP O=C1[C@@H]([NH2+]C[C@H]2CCCn3cc[nH+]c32)CCCN1c1ccccc1 ZINC000089845619 426313005 /nfs/dbraw/zinc/31/30/05/426313005.db2.gz KDVKUSPLMXADRH-WBVHZDCISA-N 2 2 324.428 2.546 50 0 DFAALP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnc3c(C)cccn13)CCC2 ZINC000095402068 426372591 /nfs/dbraw/zinc/37/25/91/426372591.db2.gz GSSIDYWPWWJXQD-OAHLLOKOSA-N 2 2 309.417 2.815 50 0 DFAALP COCCn1cc[nH+]c1[C@H]1CCCN(c2cc(C)cc[nH+]2)C1 ZINC000095498672 426373693 /nfs/dbraw/zinc/37/36/93/426373693.db2.gz SBWAXWKAJPDGSA-HNNXBMFYSA-N 2 2 300.406 2.617 50 0 DFAALP C(C[NH+]1CCOC2(CCCC2)C1)C[N@@H+]1CCOC2(CCCC2)C1 ZINC000095970034 426379317 /nfs/dbraw/zinc/37/93/17/426379317.db2.gz AKRIXJYGYOJDCK-UHFFFAOYSA-N 2 2 322.493 2.667 50 0 DFAALP C(C[NH+]1CCOC2(CCCC2)C1)C[N@H+]1CCOC2(CCCC2)C1 ZINC000095970034 426379318 /nfs/dbraw/zinc/37/93/18/426379318.db2.gz AKRIXJYGYOJDCK-UHFFFAOYSA-N 2 2 322.493 2.667 50 0 DFAALP CCc1nnc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1C ZINC000097081918 426445972 /nfs/dbraw/zinc/44/59/72/426445972.db2.gz ASYYSCRJQIGPSI-CYBMUJFWSA-N 2 2 324.432 2.722 50 0 DFAALP c1cn(CCOc2cccc(C[NH2+][C@H]3CCCSC3)c2)c[nH+]1 ZINC000097212883 426458847 /nfs/dbraw/zinc/45/88/47/426458847.db2.gz YMDASCXTKPOGDI-INIZCTEOSA-N 2 2 317.458 2.947 50 0 DFAALP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000097376952 426465199 /nfs/dbraw/zinc/46/51/99/426465199.db2.gz GCPWZEYXIGXCKL-CQSZACIVSA-N 2 2 315.465 2.895 50 0 DFAALP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000097376952 426465203 /nfs/dbraw/zinc/46/52/03/426465203.db2.gz GCPWZEYXIGXCKL-CQSZACIVSA-N 2 2 315.465 2.895 50 0 DFAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000097376973 426465945 /nfs/dbraw/zinc/46/59/45/426465945.db2.gz YOSRBLFQESGTEF-HNNXBMFYSA-N 2 2 315.465 2.826 50 0 DFAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000097376973 426465948 /nfs/dbraw/zinc/46/59/48/426465948.db2.gz YOSRBLFQESGTEF-HNNXBMFYSA-N 2 2 315.465 2.826 50 0 DFAALP CCn1nc(C)c(C[NH+]2CCC(Cn3cc[nH+]c3)CC2)c1C ZINC000097475513 426468028 /nfs/dbraw/zinc/46/80/28/426468028.db2.gz RRMZMLKIQKNWMU-UHFFFAOYSA-N 2 2 301.438 2.629 50 0 DFAALP C[NH+](C)[C@H](CNC(=O)c1ccccc1-c1[nH]cc[nH+]1)c1ccco1 ZINC000097635161 426470800 /nfs/dbraw/zinc/47/08/00/426470800.db2.gz KUBKFWQDFALRCJ-OAHLLOKOSA-N 2 2 324.384 2.702 50 0 DFAALP O[C@@H](C[NH2+][C@@H]1CCc2ccccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000098144093 426480586 /nfs/dbraw/zinc/48/05/86/426480586.db2.gz AAWSSEKUWIPPTL-PZJWPPBQSA-N 2 2 322.452 2.683 50 0 DFAALP O[C@@H](C[NH2+][C@@H]1CCc2ccccc21)C[N@H+]1CCc2ccccc2C1 ZINC000098144093 426480588 /nfs/dbraw/zinc/48/05/88/426480588.db2.gz AAWSSEKUWIPPTL-PZJWPPBQSA-N 2 2 322.452 2.683 50 0 DFAALP CCCCN1CC[N@H+](Cc2cccc([C@@H](C)[NH+](C)C)c2)CC1=O ZINC000215142680 426549591 /nfs/dbraw/zinc/54/95/91/426549591.db2.gz SYTWEXMYRBJLTB-MRXNPFEDSA-N 2 2 317.477 2.754 50 0 DFAALP CCCCN1CC[N@@H+](Cc2cccc([C@@H](C)[NH+](C)C)c2)CC1=O ZINC000215142680 426549595 /nfs/dbraw/zinc/54/95/95/426549595.db2.gz SYTWEXMYRBJLTB-MRXNPFEDSA-N 2 2 317.477 2.754 50 0 DFAALP Cc1ccc([C@@H](C(=O)NCc2c[nH+]c(C)cc2C)[NH+](C)C)cc1 ZINC000223739707 426589185 /nfs/dbraw/zinc/58/91/85/426589185.db2.gz MPPPTLRDIGWBCI-SFHVURJKSA-N 2 2 311.429 2.926 50 0 DFAALP Cc1csc(C[N@@H+]2CCC[C@@H](Nc3ccc(N)[nH+]c3)CC2)n1 ZINC000328624228 426984789 /nfs/dbraw/zinc/98/47/89/426984789.db2.gz CHHXXZGBZYAHHV-CYBMUJFWSA-N 2 2 317.462 2.895 50 0 DFAALP Cc1csc(C[N@H+]2CCC[C@@H](Nc3ccc(N)[nH+]c3)CC2)n1 ZINC000328624228 426984794 /nfs/dbraw/zinc/98/47/94/426984794.db2.gz CHHXXZGBZYAHHV-CYBMUJFWSA-N 2 2 317.462 2.895 50 0 DFAALP C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247487543 426943103 /nfs/dbraw/zinc/94/31/03/426943103.db2.gz KQQOOWWYOKGORK-JYSRZZCRSA-N 2 2 323.525 2.876 50 0 DFAALP C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247487543 426943112 /nfs/dbraw/zinc/94/31/12/426943112.db2.gz KQQOOWWYOKGORK-JYSRZZCRSA-N 2 2 323.525 2.876 50 0 DFAALP C[C@@H](C(=O)NC1CCC(C)CC1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247487543 426943118 /nfs/dbraw/zinc/94/31/18/426943118.db2.gz KQQOOWWYOKGORK-JYSRZZCRSA-N 2 2 323.525 2.876 50 0 DFAALP C[C@@H](C(=O)NC1CCC(C)CC1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247487543 426943126 /nfs/dbraw/zinc/94/31/26/426943126.db2.gz KQQOOWWYOKGORK-JYSRZZCRSA-N 2 2 323.525 2.876 50 0 DFAALP Nc1nc(NCCc2ccc(Cl)cc2)cc([C@H]2C[C@@H]([NH3+])C2)[nH+]1 ZINC000223854430 563737271 /nfs/dbraw/zinc/73/72/71/563737271.db2.gz LSNUGCYFCMPMQG-AULYBMBSSA-N 2 2 317.824 2.572 50 0 DFAALP CCCCn1cc[nH+]c1[C@@H]1CCCN(c2cc(C)[nH+]c(N)n2)C1 ZINC000095522613 185377582 /nfs/dbraw/zinc/37/75/82/185377582.db2.gz NGSWHXKKZUSOPK-CQSZACIVSA-N 2 2 314.437 2.748 50 0 DFAALP Cc1ccc(Sc2ccc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](O)C3)o2)cc1 ZINC000082109587 192357384 /nfs/dbraw/zinc/35/73/84/192357384.db2.gz HYOHTDKIPPPISD-HZPDHXFCSA-N 2 2 318.442 2.633 50 0 DFAALP Cc1ccc(Sc2ccc(C[N@H+]3CC[C@@H]([NH3+])[C@H](O)C3)o2)cc1 ZINC000082109587 192357387 /nfs/dbraw/zinc/35/73/87/192357387.db2.gz HYOHTDKIPPPISD-HZPDHXFCSA-N 2 2 318.442 2.633 50 0 DFAALP CC(C)c1nnsc1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000082120328 192357899 /nfs/dbraw/zinc/35/78/99/192357899.db2.gz IBFAKYLDWLRXFD-GFCCVEGCSA-N 2 2 305.451 2.775 50 0 DFAALP CC(C)c1nnsc1C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000082120328 192357901 /nfs/dbraw/zinc/35/79/01/192357901.db2.gz IBFAKYLDWLRXFD-GFCCVEGCSA-N 2 2 305.451 2.775 50 0 DFAALP Cn1cccc1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645369 185330776 /nfs/dbraw/zinc/33/07/76/185330776.db2.gz GSQJWQWMWJZRND-UHFFFAOYSA-N 2 2 312.461 2.559 50 0 DFAALP Cn1cccc1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645369 185330777 /nfs/dbraw/zinc/33/07/77/185330777.db2.gz GSQJWQWMWJZRND-UHFFFAOYSA-N 2 2 312.461 2.559 50 0 DFAALP OCc1cc[nH+]c(N2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)c1 ZINC000082148525 192362000 /nfs/dbraw/zinc/36/20/00/192362000.db2.gz ISTONMHTSAPNTE-MRXNPFEDSA-N 2 2 312.417 2.564 50 0 DFAALP OCC[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000585134895 398434260 /nfs/dbraw/zinc/43/42/60/398434260.db2.gz OIANEYHZGCFXAG-QYZOEREBSA-N 2 2 302.462 2.759 50 0 DFAALP OCC[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000585134895 398434263 /nfs/dbraw/zinc/43/42/63/398434263.db2.gz OIANEYHZGCFXAG-QYZOEREBSA-N 2 2 302.462 2.759 50 0 DFAALP Cc1nc(C)c(C[N@@H+](Cc2cccnc2)C[C@@H]2CC[NH2+]C2)s1 ZINC000328625611 398566162 /nfs/dbraw/zinc/56/61/62/398566162.db2.gz DIQLRIAMNQLKMA-MRXNPFEDSA-N 2 2 316.474 2.767 50 0 DFAALP Cc1nc(C)c(C[N@H+](Cc2cccnc2)C[C@@H]2CC[NH2+]C2)s1 ZINC000328625611 398566166 /nfs/dbraw/zinc/56/61/66/398566166.db2.gz DIQLRIAMNQLKMA-MRXNPFEDSA-N 2 2 316.474 2.767 50 0 DFAALP CC(C)c1noc([C@H](C)[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC000328631000 398567026 /nfs/dbraw/zinc/56/70/26/398567026.db2.gz KAPLXANFTZFSRG-STQMWFEESA-N 2 2 303.410 2.645 50 0 DFAALP CC(C)c1noc([C@H](C)[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC000328631000 398567029 /nfs/dbraw/zinc/56/70/29/398567029.db2.gz KAPLXANFTZFSRG-STQMWFEESA-N 2 2 303.410 2.645 50 0 DFAALP c1cc(C[N@H+](Cc2cncnc2)[C@H]2CCC[NH2+]CC2)cs1 ZINC000328647158 398568560 /nfs/dbraw/zinc/56/85/60/398568560.db2.gz TUJUJVJIUQDSBG-INIZCTEOSA-N 2 2 302.447 2.682 50 0 DFAALP c1cc(C[N@@H+](Cc2cncnc2)[C@H]2CCC[NH2+]CC2)cs1 ZINC000328647158 398568567 /nfs/dbraw/zinc/56/85/67/398568567.db2.gz TUJUJVJIUQDSBG-INIZCTEOSA-N 2 2 302.447 2.682 50 0 DFAALP CC(C)c1noc(C[N@H+](C)C[C@@H]2CCC[NH+]3CCCC[C@H]23)n1 ZINC000072135307 191046352 /nfs/dbraw/zinc/04/63/52/191046352.db2.gz QHZZZZXRDFFJOP-LSDHHAIUSA-N 2 2 306.454 2.889 50 0 DFAALP CC(C)c1noc(C[N@@H+](C)C[C@@H]2CCC[NH+]3CCCC[C@H]23)n1 ZINC000072135307 191046353 /nfs/dbraw/zinc/04/63/53/191046353.db2.gz QHZZZZXRDFFJOP-LSDHHAIUSA-N 2 2 306.454 2.889 50 0 DFAALP CC(C)c1noc(C[NH+](C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000072135307 191046356 /nfs/dbraw/zinc/04/63/56/191046356.db2.gz QHZZZZXRDFFJOP-LSDHHAIUSA-N 2 2 306.454 2.889 50 0 DFAALP CC(C)c1noc(C[NH+](C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000072135307 191046359 /nfs/dbraw/zinc/04/63/59/191046359.db2.gz QHZZZZXRDFFJOP-LSDHHAIUSA-N 2 2 306.454 2.889 50 0 DFAALP OC[C@@H]1CCCCC[C@@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000097236287 398667370 /nfs/dbraw/zinc/66/73/70/398667370.db2.gz KEDSNRCFWQDXGS-ZFWWWQNUSA-N 2 2 322.415 2.934 50 0 DFAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000072463393 191174067 /nfs/dbraw/zinc/17/40/67/191174067.db2.gz KMSQQLSTCPNPAK-HNNXBMFYSA-N 2 2 317.481 2.533 50 0 DFAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000072463393 191174069 /nfs/dbraw/zinc/17/40/69/191174069.db2.gz KMSQQLSTCPNPAK-HNNXBMFYSA-N 2 2 317.481 2.533 50 0 DFAALP CSc1ccccc1C[NH+]1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000072474210 191177425 /nfs/dbraw/zinc/17/74/25/191177425.db2.gz NAEAIXBBUKDQHW-KRWDZBQOSA-N 2 2 320.502 2.830 50 0 DFAALP CSc1ccccc1C[NH+]1CCC([N@H+]2CCC[C@H](O)C2)CC1 ZINC000072474210 191177427 /nfs/dbraw/zinc/17/74/27/191177427.db2.gz NAEAIXBBUKDQHW-KRWDZBQOSA-N 2 2 320.502 2.830 50 0 DFAALP C[N@H+](Cc1ccc(Cl)nc1)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000072664347 191212112 /nfs/dbraw/zinc/21/21/12/191212112.db2.gz IAWNHYTVPQXJNI-OAHLLOKOSA-N 2 2 323.868 2.668 50 0 DFAALP C[N@@H+](Cc1ccc(Cl)nc1)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000072664347 191212114 /nfs/dbraw/zinc/21/21/14/191212114.db2.gz IAWNHYTVPQXJNI-OAHLLOKOSA-N 2 2 323.868 2.668 50 0 DFAALP C[N@H+]1C[C@H]2CC[C@H](C[NH+]2Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000216068287 283247772 /nfs/dbraw/zinc/24/77/72/283247772.db2.gz AJORNVPSEIOOJO-DOTOQJQBSA-N 2 2 300.446 2.926 50 0 DFAALP C[N@@H+]1C[C@H]2CC[C@H](C[NH+]2Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000216068287 283247775 /nfs/dbraw/zinc/24/77/75/283247775.db2.gz AJORNVPSEIOOJO-DOTOQJQBSA-N 2 2 300.446 2.926 50 0 DFAALP C[NH+]1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000216068287 283247778 /nfs/dbraw/zinc/24/77/78/283247778.db2.gz AJORNVPSEIOOJO-DOTOQJQBSA-N 2 2 300.446 2.926 50 0 DFAALP C[NH+]1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000216068287 283247784 /nfs/dbraw/zinc/24/77/84/283247784.db2.gz AJORNVPSEIOOJO-DOTOQJQBSA-N 2 2 300.446 2.926 50 0 DFAALP CN(C)c1[nH+]cccc1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000170606914 399009704 /nfs/dbraw/zinc/00/97/04/399009704.db2.gz SYBIYGFQOOTUBG-UHFFFAOYSA-N 2 2 311.433 2.619 50 0 DFAALP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1O ZINC000091960303 193133149 /nfs/dbraw/zinc/13/31/49/193133149.db2.gz CWVZCRJYASJZRW-HIFRSBDPSA-N 2 2 301.390 2.680 50 0 DFAALP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1O ZINC000091960303 193133150 /nfs/dbraw/zinc/13/31/50/193133150.db2.gz CWVZCRJYASJZRW-HIFRSBDPSA-N 2 2 301.390 2.680 50 0 DFAALP CCOc1cccc(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000092078595 193155032 /nfs/dbraw/zinc/15/50/32/193155032.db2.gz WDSKRJQHCXIIFF-MRXNPFEDSA-N 2 2 318.461 2.770 50 0 DFAALP CCOc1cccc(C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000092078595 193155033 /nfs/dbraw/zinc/15/50/33/193155033.db2.gz WDSKRJQHCXIIFF-MRXNPFEDSA-N 2 2 318.461 2.770 50 0 DFAALP CCn1nc(C[NH2+]CCC[NH+](CC)CC)c(-c2ccccc2)n1 ZINC000261492144 203072574 /nfs/dbraw/zinc/07/25/74/203072574.db2.gz RHHKTJJKEZGDEO-UHFFFAOYSA-N 2 2 315.465 2.787 50 0 DFAALP CN(Cc1[nH]cc[nH+]1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000019770148 182144055 /nfs/dbraw/zinc/14/40/55/182144055.db2.gz VSAKQLUEESPRGE-HNNXBMFYSA-N 2 2 302.397 2.645 50 0 DFAALP CN(Cc1[nH]cc[nH+]1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000019770148 182144057 /nfs/dbraw/zinc/14/40/57/182144057.db2.gz VSAKQLUEESPRGE-HNNXBMFYSA-N 2 2 302.397 2.645 50 0 DFAALP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cc(-c3cccnc3)no2)C1 ZINC000019836396 182154742 /nfs/dbraw/zinc/15/47/42/182154742.db2.gz ILZIDLWYZUHSIK-HNNXBMFYSA-N 2 2 314.433 2.900 50 0 DFAALP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cc(-c3cccnc3)no2)C1 ZINC000019836396 182154744 /nfs/dbraw/zinc/15/47/44/182154744.db2.gz ILZIDLWYZUHSIK-HNNXBMFYSA-N 2 2 314.433 2.900 50 0 DFAALP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cc(-c3cccnc3)no2)C1 ZINC000019836396 182154746 /nfs/dbraw/zinc/15/47/46/182154746.db2.gz ILZIDLWYZUHSIK-HNNXBMFYSA-N 2 2 314.433 2.900 50 0 DFAALP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cc(-c3cccnc3)no2)C1 ZINC000019836396 182154748 /nfs/dbraw/zinc/15/47/48/182154748.db2.gz ILZIDLWYZUHSIK-HNNXBMFYSA-N 2 2 314.433 2.900 50 0 DFAALP Cc1[nH+]cc(CN[C@H]2CCC[N@H+](CC3CCCCC3)C2)n1C ZINC000022914189 182341189 /nfs/dbraw/zinc/34/11/89/182341189.db2.gz RLAIRVAIJBCDDW-KRWDZBQOSA-N 2 2 304.482 2.863 50 0 DFAALP Cc1[nH+]cc(CN[C@H]2CCC[N@@H+](CC3CCCCC3)C2)n1C ZINC000022914189 182341191 /nfs/dbraw/zinc/34/11/91/182341191.db2.gz RLAIRVAIJBCDDW-KRWDZBQOSA-N 2 2 304.482 2.863 50 0 DFAALP C[N@@H+]1CCC[C@@](O)(CN(Cc2ccccc2)c2cccc[nH+]2)C1 ZINC000041124038 183169044 /nfs/dbraw/zinc/16/90/44/183169044.db2.gz JJHNIRJZTQDFPC-IBGZPJMESA-N 2 2 311.429 2.545 50 0 DFAALP C[N@H+]1CCC[C@@](O)(CN(Cc2ccccc2)c2cccc[nH+]2)C1 ZINC000041124038 183169046 /nfs/dbraw/zinc/16/90/46/183169046.db2.gz JJHNIRJZTQDFPC-IBGZPJMESA-N 2 2 311.429 2.545 50 0 DFAALP CC[NH+](CC)[C@H](CNC1=[NH+]CCCN1)c1ccccc1Cl ZINC000058329380 184106293 /nfs/dbraw/zinc/10/62/93/184106293.db2.gz BBEZDNVEFVPPFU-OAHLLOKOSA-N 2 2 308.857 2.662 50 0 DFAALP CC(C)[C@H](Cn1cc[nH+]c1)NC(=O)CC[NH+]1CCCCCCC1 ZINC000063856439 184289609 /nfs/dbraw/zinc/28/96/09/184289609.db2.gz RHUFGPJYKLRYOU-KRWDZBQOSA-N 2 2 320.481 2.680 50 0 DFAALP CC(C)(C)c1n[nH]cc1C[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000065594841 184371067 /nfs/dbraw/zinc/37/10/67/184371067.db2.gz PIGAVELVTKJJQR-UHFFFAOYSA-N 2 2 301.438 2.572 50 0 DFAALP CC(C)Cn1c[nH+]cc1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000426493011 257248227 /nfs/dbraw/zinc/24/82/27/257248227.db2.gz SLTXOKKZUIOVMO-UHFFFAOYSA-N 2 2 314.433 2.531 50 0 DFAALP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C[N@@H+]1C ZINC000252477812 257258047 /nfs/dbraw/zinc/25/80/47/257258047.db2.gz VUVCCKAZLLALIM-QUHHJHJSSA-N 2 2 323.481 2.599 50 0 DFAALP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C[N@H+]1C ZINC000252477812 257258049 /nfs/dbraw/zinc/25/80/49/257258049.db2.gz VUVCCKAZLLALIM-QUHHJHJSSA-N 2 2 323.481 2.599 50 0 DFAALP CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1cc[nH+]c(C2CC2)n1 ZINC000328619128 257263990 /nfs/dbraw/zinc/26/39/90/257263990.db2.gz FMZFEQOVLQJJDL-WMZOPIPTSA-N 2 2 323.444 2.878 50 0 DFAALP CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1cc[nH+]c(C2CC2)n1 ZINC000328619128 257263991 /nfs/dbraw/zinc/26/39/91/257263991.db2.gz FMZFEQOVLQJJDL-WMZOPIPTSA-N 2 2 323.444 2.878 50 0 DFAALP c1cn(CC[C@@H]2CCCC[N@@H+]2Cc2cccc3nonc32)c[nH+]1 ZINC000216069966 542874529 /nfs/dbraw/zinc/87/45/29/542874529.db2.gz GZIXWGVYJKTUAM-HNNXBMFYSA-N 2 2 311.389 2.864 50 0 DFAALP c1cn(CC[C@@H]2CCCC[N@H+]2Cc2cccc3nonc32)c[nH+]1 ZINC000216069966 542874533 /nfs/dbraw/zinc/87/45/33/542874533.db2.gz GZIXWGVYJKTUAM-HNNXBMFYSA-N 2 2 311.389 2.864 50 0 DFAALP C[NH+](C)[C@@H](CNC(=[NH2+])NCc1ccccc1)c1cccs1 ZINC000057752133 425896929 /nfs/dbraw/zinc/89/69/29/425896929.db2.gz QLUQJVFDEIDEOS-AWEZNQCLSA-N 2 2 302.447 2.665 50 0 DFAALP C/C(=C\c1ccco1)C[NH+]1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000067604260 425911569 /nfs/dbraw/zinc/91/15/69/425911569.db2.gz DJHYEINKILSXTH-SDNWHVSQSA-N 2 2 323.400 2.776 50 0 DFAALP COc1c(F)cc(-c2[nH+]ccn2CCn2cc[nH+]c2)cc1F ZINC000067643624 425911925 /nfs/dbraw/zinc/91/19/25/425911925.db2.gz BHKZIAJSEALUJN-UHFFFAOYSA-N 2 2 304.300 2.734 50 0 DFAALP CN(Cc1ccccc1)c1[nH+]cccc1CNc1cc[nH+]c(N)n1 ZINC000067754666 425912908 /nfs/dbraw/zinc/91/29/08/425912908.db2.gz CFMPTRBIFXMTQH-UHFFFAOYSA-N 2 2 320.400 2.702 50 0 DFAALP CCc1[nH]c(C[N@@H+]2CCC[C@@H](CNC(=O)C=C(C)C)C2)c(C)[nH+]1 ZINC000067834289 425913550 /nfs/dbraw/zinc/91/35/50/425913550.db2.gz QMSBRQXNULYXMC-HNNXBMFYSA-N 2 2 318.465 2.575 50 0 DFAALP CCc1[nH]c(C[N@H+]2CCC[C@@H](CNC(=O)C=C(C)C)C2)c(C)[nH+]1 ZINC000067834289 425913551 /nfs/dbraw/zinc/91/35/51/425913551.db2.gz QMSBRQXNULYXMC-HNNXBMFYSA-N 2 2 318.465 2.575 50 0 DFAALP C[NH+]1CCC(Nc2ccc(C[NH+]3CCOCC3)c(Cl)c2)CC1 ZINC000156988344 425937452 /nfs/dbraw/zinc/93/74/52/425937452.db2.gz ZIGKLAOVGFFPSB-UHFFFAOYSA-N 2 2 323.868 2.678 50 0 DFAALP CC(C)N1CC[NH+]2CCN(C(C)C)[PH+]1N(C(C)C)CC2 ZINC000002509873 425595394 /nfs/dbraw/zinc/59/53/94/425595394.db2.gz DFRWCJYSXGNOFD-UHFFFAOYSA-N 2 2 300.431 2.674 50 0 DFAALP COc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c1 ZINC000048782282 425877279 /nfs/dbraw/zinc/87/72/79/425877279.db2.gz UJZJBDWOSPEMKK-UHFFFAOYSA-N 2 2 308.385 2.874 50 0 DFAALP CC(C)OCC[N@@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000069558422 425946386 /nfs/dbraw/zinc/94/63/86/425946386.db2.gz JIYXJFGRBSTKOO-UHFFFAOYSA-N 2 2 302.422 2.500 50 0 DFAALP CC(C)OCC[N@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000069558422 425946388 /nfs/dbraw/zinc/94/63/88/425946388.db2.gz JIYXJFGRBSTKOO-UHFFFAOYSA-N 2 2 302.422 2.500 50 0 DFAALP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069655347 425952068 /nfs/dbraw/zinc/95/20/68/425952068.db2.gz NYEGOIAETBTSOO-KRWDZBQOSA-N 2 2 321.384 2.546 50 0 DFAALP CCc1ncc2c(n1)C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000069873985 425961812 /nfs/dbraw/zinc/96/18/12/425961812.db2.gz DAGFTBAFQVTUGX-UHFFFAOYSA-N 2 2 319.412 2.783 50 0 DFAALP CCc1ncc2c(n1)C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000069873985 425961815 /nfs/dbraw/zinc/96/18/15/425961815.db2.gz DAGFTBAFQVTUGX-UHFFFAOYSA-N 2 2 319.412 2.783 50 0 DFAALP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H]1c1ccc[nH]1 ZINC000089361394 426286942 /nfs/dbraw/zinc/28/69/42/426286942.db2.gz APISCBGGXRRKCK-IEBWSBKVSA-N 2 2 313.445 2.645 50 0 DFAALP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H]1c1ccc[nH]1 ZINC000089361394 426286944 /nfs/dbraw/zinc/28/69/44/426286944.db2.gz APISCBGGXRRKCK-IEBWSBKVSA-N 2 2 313.445 2.645 50 0 DFAALP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000089361394 426286946 /nfs/dbraw/zinc/28/69/46/426286946.db2.gz APISCBGGXRRKCK-IEBWSBKVSA-N 2 2 313.445 2.645 50 0 DFAALP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000089361394 426286949 /nfs/dbraw/zinc/28/69/49/426286949.db2.gz APISCBGGXRRKCK-IEBWSBKVSA-N 2 2 313.445 2.645 50 0 DFAALP Cc1c[nH+]ccc1N1CCC[C@H](c2[nH+]ccn2CC[NH+](C)C)C1 ZINC000095363895 426367992 /nfs/dbraw/zinc/36/79/92/426367992.db2.gz YBQUUEFFHFGZNZ-INIZCTEOSA-N 3 2 313.449 2.532 50 0 DFAALP COc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000097053159 426443902 /nfs/dbraw/zinc/44/39/02/426443902.db2.gz JUGNYOLXLIDYSW-ZYHUDNBSSA-N 2 2 313.239 2.627 50 0 DFAALP COc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000097053159 426443905 /nfs/dbraw/zinc/44/39/05/426443905.db2.gz JUGNYOLXLIDYSW-ZYHUDNBSSA-N 2 2 313.239 2.627 50 0 DFAALP Cc1ccc([C@H](C)CC[NH+]2CCC(O)(Cn3cc[nH+]c3)CC2)o1 ZINC000097784759 426474624 /nfs/dbraw/zinc/47/46/24/426474624.db2.gz RHFWDYSICVAHIG-OAHLLOKOSA-N 2 2 317.433 2.805 50 0 DFAALP Cc1ccc([C@@H](C)CC[NH+]2CCC(O)(Cn3cc[nH+]c3)CC2)o1 ZINC000097784758 426474705 /nfs/dbraw/zinc/47/47/05/426474705.db2.gz RHFWDYSICVAHIG-HNNXBMFYSA-N 2 2 317.433 2.805 50 0 DFAALP O=C(Nc1c[nH+]c2n1CCCC2)c1cccc(C[NH+]2CC=CC2)c1 ZINC000101873311 426486653 /nfs/dbraw/zinc/48/66/53/426486653.db2.gz CAFGZWWNLKLJBO-UHFFFAOYSA-N 2 2 322.412 2.844 50 0 DFAALP C[N@H+]1C[C@@H]2C[NH+](Cc3cnn(-c4cccc(Cl)c4)c3)C[C@@H]2C1 ZINC000215091527 426549689 /nfs/dbraw/zinc/54/96/89/426549689.db2.gz NQDXZFAYGPQEEN-GASCZTMLSA-N 2 2 316.836 2.519 50 0 DFAALP C[N@@H+]1C[C@@H]2C[NH+](Cc3cnn(-c4cccc(Cl)c4)c3)C[C@@H]2C1 ZINC000215091527 426549697 /nfs/dbraw/zinc/54/96/97/426549697.db2.gz NQDXZFAYGPQEEN-GASCZTMLSA-N 2 2 316.836 2.519 50 0 DFAALP C[NH+]1C[C@@H]2C[N@@H+](Cc3cnn(-c4cccc(Cl)c4)c3)C[C@@H]2C1 ZINC000215091527 426549702 /nfs/dbraw/zinc/54/97/02/426549702.db2.gz NQDXZFAYGPQEEN-GASCZTMLSA-N 2 2 316.836 2.519 50 0 DFAALP Nc1nc(NCc2cccc(Cl)c2F)cc(C2CC([NH3+])C2)[nH+]1 ZINC000219080852 426569703 /nfs/dbraw/zinc/56/97/03/426569703.db2.gz CBLSQKKVGOQNJK-UHFFFAOYSA-N 2 2 321.787 2.668 50 0 DFAALP C[NH2+]C[C@@H]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000178967467 426726746 /nfs/dbraw/zinc/72/67/46/426726746.db2.gz VUHCPCXOAXXAIW-AWEZNQCLSA-N 2 2 311.385 2.555 50 0 DFAALP Cc1nc(NCC(C)(C)[NH+]2CCCCC2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000244748650 426727597 /nfs/dbraw/zinc/72/75/97/426727597.db2.gz OLRQKZMRNIQXAV-GASCZTMLSA-N 2 2 318.465 2.700 50 0 DFAALP Cc1c[nH+]ccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000248895728 427061235 /nfs/dbraw/zinc/06/12/35/427061235.db2.gz BQEINQYGMOXOSC-IRXDYDNUSA-N 2 2 310.401 2.957 50 0 DFAALP Cc1c[nH+]ccc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248895728 427061243 /nfs/dbraw/zinc/06/12/43/427061243.db2.gz BQEINQYGMOXOSC-IRXDYDNUSA-N 2 2 310.401 2.957 50 0 DFAALP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000190447833 427111891 /nfs/dbraw/zinc/11/18/91/427111891.db2.gz OBVCXHDMCYGTMB-MRXNPFEDSA-N 2 2 323.444 2.707 50 0 DFAALP C[N@H+](Cc1cccnc1)C[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000190447833 427111900 /nfs/dbraw/zinc/11/19/00/427111900.db2.gz OBVCXHDMCYGTMB-MRXNPFEDSA-N 2 2 323.444 2.707 50 0 DFAALP FC(F)Oc1ccc([C@H]2C[N@H+](CCn3cc[nH+]c3)CCO2)cc1 ZINC000253421007 427207750 /nfs/dbraw/zinc/20/77/50/427207750.db2.gz VBXOBLNFKAJEAU-OAHLLOKOSA-N 2 2 323.343 2.558 50 0 DFAALP FC(F)Oc1ccc([C@H]2C[N@@H+](CCn3cc[nH+]c3)CCO2)cc1 ZINC000253421007 427207754 /nfs/dbraw/zinc/20/77/54/427207754.db2.gz VBXOBLNFKAJEAU-OAHLLOKOSA-N 2 2 323.343 2.558 50 0 DFAALP Cc1noc([C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)n1 ZINC000346281756 428105417 /nfs/dbraw/zinc/10/54/17/428105417.db2.gz XYFORDHPLQXDGD-INIZCTEOSA-N 2 2 323.400 2.862 50 0 DFAALP Cc1noc([C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)n1 ZINC000346281756 428105429 /nfs/dbraw/zinc/10/54/29/428105429.db2.gz XYFORDHPLQXDGD-INIZCTEOSA-N 2 2 323.400 2.862 50 0 DFAALP C[C@@H]1CC[N@@H+]([C@@H]2CCc3ccccc3NC2=O)C[C@H]1n1cc[nH+]c1 ZINC000248916736 274304206 /nfs/dbraw/zinc/30/42/06/274304206.db2.gz ZZQWLAJPFSNDRM-ZTFGCOKTSA-N 2 2 324.428 2.720 50 0 DFAALP C[C@@H]1CC[N@H+]([C@@H]2CCc3ccccc3NC2=O)C[C@H]1n1cc[nH+]c1 ZINC000248916736 274304207 /nfs/dbraw/zinc/30/42/07/274304207.db2.gz ZZQWLAJPFSNDRM-ZTFGCOKTSA-N 2 2 324.428 2.720 50 0 DFAALP CC(=O)Nc1ccc(-c2[nH+]ccn2C[C@@H]2CCCC[N@H+]2C)cc1 ZINC000071747913 277064346 /nfs/dbraw/zinc/06/43/46/277064346.db2.gz DHTFOOIBPQXPLP-KRWDZBQOSA-N 2 2 312.417 2.993 50 0 DFAALP CC(=O)Nc1ccc(-c2[nH+]ccn2C[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000071747913 277064348 /nfs/dbraw/zinc/06/43/48/277064348.db2.gz DHTFOOIBPQXPLP-KRWDZBQOSA-N 2 2 312.417 2.993 50 0 DFAALP CCn1c(C)nnc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000097238521 323209393 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MUDANPLNCNGAEN-GOSISDBHSA-N 2 2 321.424 2.764 50 0 DFAALP CCC[NH+]1CCC([NH2+]Cc2cccc3c2OCCCO3)CC1 ZINC000060856890 184156922 /nfs/dbraw/zinc/15/69/22/184156922.db2.gz GPIDOCBEGZIMKM-UHFFFAOYSA-N 2 2 304.434 2.812 50 0 DFAALP c1cn(-c2ccccc2C[NH2+]C2CCC3(CC2)OCCO3)c[nH+]1 ZINC000155292207 197040471 /nfs/dbraw/zinc/04/04/71/197040471.db2.gz MKCLBLYYKPUWHI-UHFFFAOYSA-N 2 2 313.401 2.648 50 0 DFAALP Cc1ccc2[nH]c(CCNc3cc(C4CC([NH3+])C4)ncn3)[nH+]c2c1 ZINC000219896327 257274213 /nfs/dbraw/zinc/27/42/13/257274213.db2.gz OEKCATQGBHIDPO-UHFFFAOYSA-N 2 2 322.416 2.521 50 0 DFAALP Cc1ccc2[nH+]c(CCNc3cc(C4CC([NH3+])C4)ncn3)[nH]c2c1 ZINC000219896327 257274215 /nfs/dbraw/zinc/27/42/15/257274215.db2.gz OEKCATQGBHIDPO-UHFFFAOYSA-N 2 2 322.416 2.521 50 0 DFAALP c1ccc(N2CCC([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)[nH+]c1 ZINC000097237679 257240031 /nfs/dbraw/zinc/24/00/31/257240031.db2.gz DWTFPNBKRIIDIQ-JQHSSLGASA-N 2 2 313.445 2.598 50 0 DFAALP CC[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1[nH]cc(C)[nH+]1 ZINC000426621633 257245230 /nfs/dbraw/zinc/24/52/30/257245230.db2.gz KNJLBOIVQBPPGZ-OAHLLOKOSA-N 2 2 300.406 2.661 50 0 DFAALP CSc1cc(N)[nH+]c(-c2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000096316078 542557137 /nfs/dbraw/zinc/55/71/37/542557137.db2.gz ZCTLZZQQAPJRIY-UHFFFAOYSA-N 2 2 314.458 2.805 50 0 DFAALP CCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(-c3[nH]cc[nH+]3)c2)C1 ZINC000670441585 544041297 /nfs/dbraw/zinc/04/12/97/544041297.db2.gz FDCZDYRIYTTXNK-MRXNPFEDSA-N 2 2 312.417 2.681 50 0 DFAALP CCC[N@H+]1CCC[C@@H](NC(=O)c2cccc(-c3[nH]cc[nH+]3)c2)C1 ZINC000670441585 544041300 /nfs/dbraw/zinc/04/13/00/544041300.db2.gz FDCZDYRIYTTXNK-MRXNPFEDSA-N 2 2 312.417 2.681 50 0 DFAALP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000670465052 544044993 /nfs/dbraw/zinc/04/49/93/544044993.db2.gz PFVXPYZMFIZESF-MRXNPFEDSA-N 2 2 307.869 2.993 50 0 DFAALP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000670465052 544044994 /nfs/dbraw/zinc/04/49/94/544044994.db2.gz PFVXPYZMFIZESF-MRXNPFEDSA-N 2 2 307.869 2.993 50 0 DFAALP CCc1nnc(C[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)s1 ZINC000299740204 229373890 /nfs/dbraw/zinc/37/38/90/229373890.db2.gz WYZQUMJMLFQCAV-LBPRGKRZSA-N 2 2 317.462 2.623 50 0 DFAALP CCc1nnc(C[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)s1 ZINC000299740204 229373895 /nfs/dbraw/zinc/37/38/95/229373895.db2.gz WYZQUMJMLFQCAV-LBPRGKRZSA-N 2 2 317.462 2.623 50 0 DFAALP [NH3+]C[C@@H]1Cc2cc(-c3ccc(Cn4cc[nH+]c4)cc3)cc(F)c2O1 ZINC000067674422 425912294 /nfs/dbraw/zinc/91/22/94/425912294.db2.gz AYTQWTMCZXAPQZ-KRWDZBQOSA-N 2 2 323.371 3.000 50 0 DFAALP CC[NH+](CC)CCn1cc[nH+]c1-c1cc2c(c(OC)c1)OCO2 ZINC000067847289 425914014 /nfs/dbraw/zinc/91/40/14/425914014.db2.gz VNIRLVCQLKPUMJ-UHFFFAOYSA-N 2 2 317.389 2.629 50 0 DFAALP CC(C)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnn(C)c2)C1 ZINC000020998794 425795320 /nfs/dbraw/zinc/79/53/20/425795320.db2.gz ZTLBMRVEYUYYNS-QZTJIDSGSA-N 2 2 304.482 2.753 50 0 DFAALP CC(C)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnn(C)c2)C1 ZINC000020998794 425795323 /nfs/dbraw/zinc/79/53/23/425795323.db2.gz ZTLBMRVEYUYYNS-QZTJIDSGSA-N 2 2 304.482 2.753 50 0 DFAALP CC(C)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cnn(C)c2)C1 ZINC000020998794 425795324 /nfs/dbraw/zinc/79/53/24/425795324.db2.gz ZTLBMRVEYUYYNS-QZTJIDSGSA-N 2 2 304.482 2.753 50 0 DFAALP CC(C)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cnn(C)c2)C1 ZINC000020998794 425795327 /nfs/dbraw/zinc/79/53/27/425795327.db2.gz ZTLBMRVEYUYYNS-QZTJIDSGSA-N 2 2 304.482 2.753 50 0 DFAALP Cc1ccc(-c2ccnc(N(C)C[C@H]3CCC[N@@H+]3C)n2)c(C)[nH+]1 ZINC000071589501 425986617 /nfs/dbraw/zinc/98/66/17/425986617.db2.gz ZZZQPOQWMWIOMQ-OAHLLOKOSA-N 2 2 311.433 2.686 50 0 DFAALP Cc1ccc(-c2ccnc(N(C)C[C@H]3CCC[N@H+]3C)n2)c(C)[nH+]1 ZINC000071589501 425986620 /nfs/dbraw/zinc/98/66/20/425986620.db2.gz ZZZQPOQWMWIOMQ-OAHLLOKOSA-N 2 2 311.433 2.686 50 0 DFAALP C[NH+](C)CCN(CC1CCCCC1)C(=O)CCCn1cc[nH+]c1 ZINC000072273695 426012025 /nfs/dbraw/zinc/01/20/25/426012025.db2.gz CTKXFCZWUYEJHG-UHFFFAOYSA-N 2 2 320.481 2.634 50 0 DFAALP COC(=O)c1oc([C@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)cc1C ZINC000089606820 426298818 /nfs/dbraw/zinc/29/88/18/426298818.db2.gz MZYMGNYCVDXWES-ZDUSSCGKSA-N 2 2 317.389 2.969 50 0 DFAALP O=C1[C@H]([NH2+]C[C@@H]2CCCn3cc[nH+]c32)CCCN1c1ccccc1 ZINC000089845618 426312983 /nfs/dbraw/zinc/31/29/83/426312983.db2.gz KDVKUSPLMXADRH-DOTOQJQBSA-N 2 2 324.428 2.546 50 0 DFAALP CCn1cc[nH+]c1CN1C[C@H]2CC[C@H](C[N@H+]2CC=C(C)C)C1 ZINC000095384291 426370777 /nfs/dbraw/zinc/37/07/77/426370777.db2.gz PEPNFJLMRMDTDY-DLBZAZTESA-N 2 2 302.466 2.765 50 0 DFAALP CCn1cc[nH+]c1CN1C[C@H]2CC[C@H](C[N@@H+]2CC=C(C)C)C1 ZINC000095384291 426370780 /nfs/dbraw/zinc/37/07/80/426370780.db2.gz PEPNFJLMRMDTDY-DLBZAZTESA-N 2 2 302.466 2.765 50 0 DFAALP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc3c(c1)OCCO3)CCC2 ZINC000095402054 426372467 /nfs/dbraw/zinc/37/24/67/426372467.db2.gz YTUFFQDBOYALTO-OAHLLOKOSA-N 2 2 313.401 2.630 50 0 DFAALP Cc1ccc(C[NH+]2CCN(c3cc[nH+]cc3Cl)CC2)nc1 ZINC000095980413 426381352 /nfs/dbraw/zinc/38/13/52/426381352.db2.gz YVUKPHNXDBNMPX-UHFFFAOYSA-N 2 2 302.809 2.761 50 0 DFAALP C[C@@H](c1ccccc1F)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000095987345 426383606 /nfs/dbraw/zinc/38/36/06/426383606.db2.gz PNNVJGSNAMLUOB-INIZCTEOSA-N 2 2 316.424 2.791 50 0 DFAALP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000096008648 426387269 /nfs/dbraw/zinc/38/72/69/426387269.db2.gz WZLVHCAQESVMQC-OAHLLOKOSA-N 2 2 320.481 2.679 50 0 DFAALP FC(F)CN1CCC([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000096478773 426433648 /nfs/dbraw/zinc/43/36/48/426433648.db2.gz YGHXUQKLUXIVQT-MRXNPFEDSA-N 2 2 315.452 2.570 50 0 DFAALP FC(F)CN1CCC([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000096478773 426433652 /nfs/dbraw/zinc/43/36/52/426433652.db2.gz YGHXUQKLUXIVQT-MRXNPFEDSA-N 2 2 315.452 2.570 50 0 DFAALP C[N@@H+]1CCC[C@H]1CC[NH2+]C(C)(C)c1cn(-c2ccccc2)nn1 ZINC000097112498 426450859 /nfs/dbraw/zinc/45/08/59/426450859.db2.gz HRYSLPKQVCGKAC-HNNXBMFYSA-N 2 2 313.449 2.576 50 0 DFAALP C[N@H+]1CCC[C@H]1CC[NH2+]C(C)(C)c1cn(-c2ccccc2)nn1 ZINC000097112498 426450861 /nfs/dbraw/zinc/45/08/61/426450861.db2.gz HRYSLPKQVCGKAC-HNNXBMFYSA-N 2 2 313.449 2.576 50 0 DFAALP Cc1c2cccc(Cl)c2[nH]c1C[N@@H+]1CCO[C@@H](CC[NH3+])C1 ZINC000097425187 426466071 /nfs/dbraw/zinc/46/60/71/426466071.db2.gz VQPASBIXGRFLGG-LBPRGKRZSA-N 2 2 307.825 2.679 50 0 DFAALP Cc1c2cccc(Cl)c2[nH]c1C[N@H+]1CCO[C@@H](CC[NH3+])C1 ZINC000097425187 426466073 /nfs/dbraw/zinc/46/60/73/426466073.db2.gz VQPASBIXGRFLGG-LBPRGKRZSA-N 2 2 307.825 2.679 50 0 DFAALP CCOc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c(Cl)cc1OC ZINC000097756408 426474848 /nfs/dbraw/zinc/47/48/48/426474848.db2.gz BNQMDAAFGOACCO-GFCCVEGCSA-N 2 2 312.841 2.918 50 0 DFAALP CCOc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)c(Cl)cc1OC ZINC000097756408 426474850 /nfs/dbraw/zinc/47/48/50/426474850.db2.gz BNQMDAAFGOACCO-GFCCVEGCSA-N 2 2 312.841 2.918 50 0 DFAALP C[N@@H+](Cc1cccnc1N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000215613215 426553830 /nfs/dbraw/zinc/55/38/30/426553830.db2.gz NVHAMLGKKBEITD-KRWDZBQOSA-N 2 2 310.445 2.618 50 0 DFAALP C[N@H+](Cc1cccnc1N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000215613215 426553834 /nfs/dbraw/zinc/55/38/34/426553834.db2.gz NVHAMLGKKBEITD-KRWDZBQOSA-N 2 2 310.445 2.618 50 0 DFAALP C[NH+](Cc1cccnc1N)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000215613215 426553840 /nfs/dbraw/zinc/55/38/40/426553840.db2.gz NVHAMLGKKBEITD-KRWDZBQOSA-N 2 2 310.445 2.618 50 0 DFAALP C[NH+](Cc1cccnc1N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000215613215 426553843 /nfs/dbraw/zinc/55/38/43/426553843.db2.gz NVHAMLGKKBEITD-KRWDZBQOSA-N 2 2 310.445 2.618 50 0 DFAALP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)c(C)o2)[C@@H](C)C1 ZINC000230194118 426646470 /nfs/dbraw/zinc/64/64/70/426646470.db2.gz OOVPAUSPEWBZET-LRDDRELGSA-N 2 2 308.422 2.537 50 0 DFAALP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)c(C)o2)[C@@H](C)C1 ZINC000230194118 426646472 /nfs/dbraw/zinc/64/64/72/426646472.db2.gz OOVPAUSPEWBZET-LRDDRELGSA-N 2 2 308.422 2.537 50 0 DFAALP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C(=O)OC)c(C)o2)[C@@H](C)C1 ZINC000230194118 426646475 /nfs/dbraw/zinc/64/64/75/426646475.db2.gz OOVPAUSPEWBZET-LRDDRELGSA-N 2 2 308.422 2.537 50 0 DFAALP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C(=O)OC)c(C)o2)[C@@H](C)C1 ZINC000230194118 426646478 /nfs/dbraw/zinc/64/64/78/426646478.db2.gz OOVPAUSPEWBZET-LRDDRELGSA-N 2 2 308.422 2.537 50 0 DFAALP Nc1nc(NCCc2ccc(Cl)cc2)cc([C@H]2C[C@@H]([NH3+])C2)[nH+]1 ZINC000244718869 426727145 /nfs/dbraw/zinc/72/71/45/426727145.db2.gz LSNUGCYFCMPMQG-BJHJDKERSA-N 2 2 317.824 2.572 50 0 DFAALP Cc1cccc(NC(=O)C[N@H+](C)C[C@H]2CC[NH+](C)C2(C)C)c1C ZINC000244899804 426731239 /nfs/dbraw/zinc/73/12/39/426731239.db2.gz ZQJUELVCQRLGOF-MRXNPFEDSA-N 2 2 317.477 2.904 50 0 DFAALP Cc1cccc(NC(=O)C[N@@H+](C)C[C@H]2CC[NH+](C)C2(C)C)c1C ZINC000244899804 426731244 /nfs/dbraw/zinc/73/12/44/426731244.db2.gz ZQJUELVCQRLGOF-MRXNPFEDSA-N 2 2 317.477 2.904 50 0 DFAALP Cc1cccc(NC(=O)C[NH+](C)C[C@H]2CC[N@H+](C)C2(C)C)c1C ZINC000244899804 426731246 /nfs/dbraw/zinc/73/12/46/426731246.db2.gz ZQJUELVCQRLGOF-MRXNPFEDSA-N 2 2 317.477 2.904 50 0 DFAALP Cc1cccc(NC(=O)C[NH+](C)C[C@H]2CC[N@@H+](C)C2(C)C)c1C ZINC000244899804 426731249 /nfs/dbraw/zinc/73/12/49/426731249.db2.gz ZQJUELVCQRLGOF-MRXNPFEDSA-N 2 2 317.477 2.904 50 0 DFAALP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]Cc2cccc3[nH]ccc32)CCO1 ZINC000275537939 426867389 /nfs/dbraw/zinc/86/73/89/426867389.db2.gz MKAOGKZWGLLHQG-KBXCAEBGSA-N 2 2 310.401 2.911 50 0 DFAALP Cn1c2c([nH+]c1[C@@H]1CCCN1CC[NH+]1CCCCC1)CCCC2 ZINC000328626650 426986416 /nfs/dbraw/zinc/98/64/16/426986416.db2.gz FHXPFMWNWJHEFL-SFHVURJKSA-N 2 2 316.493 2.922 50 0 DFAALP Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000189755334 426943730 /nfs/dbraw/zinc/94/37/30/426943730.db2.gz BQEINQYGMOXOSC-IAGOWNOFSA-N 2 2 310.401 2.957 50 0 DFAALP Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000189755334 426943735 /nfs/dbraw/zinc/94/37/35/426943735.db2.gz BQEINQYGMOXOSC-IAGOWNOFSA-N 2 2 310.401 2.957 50 0 DFAALP CCn1cc[nH+]c1CN1CC[N@H+](CCc2cccs2)C[C@H]1C ZINC000249693120 427137811 /nfs/dbraw/zinc/13/78/11/427137811.db2.gz NPJNDYLFVYMXSB-OAHLLOKOSA-N 2 2 318.490 2.713 50 0 DFAALP CCn1cc[nH+]c1CN1CC[N@@H+](CCc2cccs2)C[C@H]1C ZINC000249693120 427137822 /nfs/dbraw/zinc/13/78/22/427137822.db2.gz NPJNDYLFVYMXSB-OAHLLOKOSA-N 2 2 318.490 2.713 50 0 DFAALP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000252537351 427188140 /nfs/dbraw/zinc/18/81/40/427188140.db2.gz KYWLNNMILKKCCU-MAUKXSAKSA-N 2 2 317.477 2.992 50 0 DFAALP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000252537351 427188144 /nfs/dbraw/zinc/18/81/44/427188144.db2.gz KYWLNNMILKKCCU-MAUKXSAKSA-N 2 2 317.477 2.992 50 0 DFAALP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299802539 427771093 /nfs/dbraw/zinc/77/10/93/427771093.db2.gz YVXNCSNMPZROPJ-BBWFWOEESA-N 2 2 324.428 2.594 50 0 DFAALP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299802539 427771096 /nfs/dbraw/zinc/77/10/96/427771096.db2.gz YVXNCSNMPZROPJ-BBWFWOEESA-N 2 2 324.428 2.594 50 0 DFAALP c1ccc(C[N@@H+]2CCCN(c3[nH]c4ccccc4[nH+]3)CC2)nc1 ZINC000069527769 275067123 /nfs/dbraw/zinc/06/71/23/275067123.db2.gz HKSIWBGVKWBVMU-UHFFFAOYSA-N 2 2 307.401 2.670 50 0 DFAALP c1ccc(C[N@H+]2CCCN(c3[nH]c4ccccc4[nH+]3)CC2)nc1 ZINC000069527769 275067126 /nfs/dbraw/zinc/06/71/26/275067126.db2.gz HKSIWBGVKWBVMU-UHFFFAOYSA-N 2 2 307.401 2.670 50 0 DFAALP Cc1ccc([C@@H](C(=O)NCc2cc(C)[nH+]c(C)c2)[NH+](C)C)cc1 ZINC000095366000 332169479 /nfs/dbraw/zinc/16/94/79/332169479.db2.gz YKOFHTAVKIEQBL-SFHVURJKSA-N 2 2 311.429 2.926 50 0 DFAALP Cc1cc(Cl)cc2c(NC[C@H]3C[N@H+](C)CCO3)cc[nH+]c12 ZINC000534651151 334312047 /nfs/dbraw/zinc/31/20/47/334312047.db2.gz OQLZQDHEBHPWQW-ZDUSSCGKSA-N 2 2 305.809 2.939 50 0 DFAALP Cc1cc(Cl)cc2c(NC[C@H]3C[N@@H+](C)CCO3)cc[nH+]c12 ZINC000534651151 334312049 /nfs/dbraw/zinc/31/20/49/334312049.db2.gz OQLZQDHEBHPWQW-ZDUSSCGKSA-N 2 2 305.809 2.939 50 0 DFAALP c1ccc2[nH+]c(CCC[NH2+]C3CSCCSC3)[nH]c2c1 ZINC000534676850 334323564 /nfs/dbraw/zinc/32/35/64/334323564.db2.gz GECBLTLSUXKHIL-UHFFFAOYSA-N 2 2 307.488 2.934 50 0 DFAALP CC(C)CC(=O)N1CCC[C@@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095508402 185375951 /nfs/dbraw/zinc/37/59/51/185375951.db2.gz AASSCEKKIRRESX-MRXNPFEDSA-N 2 2 320.481 2.587 50 0 DFAALP CC(C)n1cc[nH+]c1C1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000095511480 185376155 /nfs/dbraw/zinc/37/61/55/185376155.db2.gz KDPYDEMKRUPUQQ-CVEARBPZSA-N 2 2 318.465 2.688 50 0 DFAALP Cc1cn2c([nH+]1)CC[C@H]([NH2+]Cc1ccc(Br)o1)C2 ZINC000225567726 398349284 /nfs/dbraw/zinc/34/92/84/398349284.db2.gz YPYOARQSXVLPSC-JTQLQIEISA-N 2 2 310.195 2.652 50 0 DFAALP Cc1cccc2[nH+]c(CC[NH2+]C3CSCCSC3)[nH]c21 ZINC000584890729 398427191 /nfs/dbraw/zinc/42/71/91/398427191.db2.gz NNLFLIBBMLOFQP-UHFFFAOYSA-N 2 2 307.488 2.852 50 0 DFAALP Cc1cccc2[nH]c(CC[NH2+]C3CSCCSC3)[nH+]c21 ZINC000584890729 398427196 /nfs/dbraw/zinc/42/71/96/398427196.db2.gz NNLFLIBBMLOFQP-UHFFFAOYSA-N 2 2 307.488 2.852 50 0 DFAALP CCc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092071466 398556564 /nfs/dbraw/zinc/55/65/64/398556564.db2.gz ZCXUVFLQWJGMIW-NSHDSACASA-N 2 2 307.829 2.739 50 0 DFAALP CCc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092071466 398556567 /nfs/dbraw/zinc/55/65/67/398556567.db2.gz ZCXUVFLQWJGMIW-NSHDSACASA-N 2 2 307.829 2.739 50 0 DFAALP Cc1cc(Cl)cc(Cl)c1C[NH2+]C[C@@]1(O)CCC[NH2+]C1 ZINC000072480659 191181004 /nfs/dbraw/zinc/18/10/04/191181004.db2.gz LQBBBGLKFBSKNQ-CQSZACIVSA-N 2 2 303.233 2.506 50 0 DFAALP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2cccc3cc[nH]c32)CCO1 ZINC000275359182 212290718 /nfs/dbraw/zinc/29/07/18/212290718.db2.gz ASWSWAZOWCNEIS-WBVHZDCISA-N 2 2 310.401 2.911 50 0 DFAALP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cc(=O)c2c(C)ccc(C)c2[nH]1 ZINC000091551690 193072379 /nfs/dbraw/zinc/07/23/79/193072379.db2.gz PIKANRDZUDXPFU-UHFFFAOYSA-N 2 2 324.428 2.782 50 0 DFAALP Cc1[nH+]ccn1CC[N@H+](C)Cc1cc(=O)c2c(C)ccc(C)c2[nH]1 ZINC000091551690 193072381 /nfs/dbraw/zinc/07/23/81/193072381.db2.gz PIKANRDZUDXPFU-UHFFFAOYSA-N 2 2 324.428 2.782 50 0 DFAALP Cc1[nH+]cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)n1-c1ccccc1 ZINC000093614813 193274596 /nfs/dbraw/zinc/27/45/96/193274596.db2.gz OINGHYQRJHAYQX-AEFFLSMTSA-N 2 2 310.445 2.849 50 0 DFAALP Cc1[nH+]cc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)n1-c1ccccc1 ZINC000093614813 193274597 /nfs/dbraw/zinc/27/45/97/193274597.db2.gz OINGHYQRJHAYQX-AEFFLSMTSA-N 2 2 310.445 2.849 50 0 DFAALP c1cc2c(c(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)c1)OCO2 ZINC000093683505 193288110 /nfs/dbraw/zinc/28/81/10/193288110.db2.gz PTOARQZVARYBGL-OAHLLOKOSA-N 2 2 302.418 2.723 50 0 DFAALP c1cc2c(c(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)c1)OCO2 ZINC000093683505 193288111 /nfs/dbraw/zinc/28/81/11/193288111.db2.gz PTOARQZVARYBGL-OAHLLOKOSA-N 2 2 302.418 2.723 50 0 DFAALP c1ccc(CC[NH+]2CCC([NH2+]CCN3CCCCC3)CC2)cc1 ZINC000022455664 182321920 /nfs/dbraw/zinc/32/19/20/182321920.db2.gz AFOYOSZCHNNUIA-UHFFFAOYSA-N 2 2 315.505 2.769 50 0 DFAALP Cc1cc(CN2CCC[C@H]([N@@H+](C)CCC[NH+](C)C)C2)oc1C ZINC000023374237 182358186 /nfs/dbraw/zinc/35/81/86/182358186.db2.gz XCBHJFWHFDHHPW-KRWDZBQOSA-N 2 2 307.482 2.744 50 0 DFAALP Cc1cc(CN2CCC[C@H]([N@H+](C)CCC[NH+](C)C)C2)oc1C ZINC000023374237 182358188 /nfs/dbraw/zinc/35/81/88/182358188.db2.gz XCBHJFWHFDHHPW-KRWDZBQOSA-N 2 2 307.482 2.744 50 0 DFAALP c1cc(C[N@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)n(-c2cccnc2)c1 ZINC000065394986 184334666 /nfs/dbraw/zinc/33/46/66/184334666.db2.gz RFYXJDISEMMLKA-KRWDZBQOSA-N 2 2 321.428 2.981 50 0 DFAALP c1cc(C[N@@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)n(-c2cccnc2)c1 ZINC000065394986 184334668 /nfs/dbraw/zinc/33/46/68/184334668.db2.gz RFYXJDISEMMLKA-KRWDZBQOSA-N 2 2 321.428 2.981 50 0 DFAALP Cc1cc(N[C@H](C)C[NH+]2CCOCC2)nc(-c2ccccc2)[nH+]1 ZINC000065456848 184347325 /nfs/dbraw/zinc/34/73/25/184347325.db2.gz IAPOVWLRSLPCHI-OAHLLOKOSA-N 2 2 312.417 2.585 50 0 DFAALP Cc1[nH+]c[nH]c1CNC(=O)C1([NH+]2CCCCC2)CCCCC1 ZINC000426534325 257247768 /nfs/dbraw/zinc/24/77/68/257247768.db2.gz AZKUMRWOZJNICD-UHFFFAOYSA-N 2 2 304.438 2.523 50 0 DFAALP Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3[NH3+])c1 ZINC000426490764 257248514 /nfs/dbraw/zinc/24/85/14/257248514.db2.gz VTOXYGPMIGLVFG-HWWDLCQESA-N 2 2 310.445 2.863 50 0 DFAALP Cc1ccc(C)c(-c2n[nH]cc2C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@H]3[NH3+])c1 ZINC000426490764 257248515 /nfs/dbraw/zinc/24/85/15/257248515.db2.gz VTOXYGPMIGLVFG-HWWDLCQESA-N 2 2 310.445 2.863 50 0 DFAALP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccn(-c2ccc(F)cc2)n1 ZINC000090944362 542538686 /nfs/dbraw/zinc/53/86/86/542538686.db2.gz VJTNYVFQGUVDEG-QWQRMKEZSA-N 2 2 316.424 2.830 50 0 DFAALP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccn(-c2ccc(F)cc2)n1 ZINC000090944362 542538690 /nfs/dbraw/zinc/53/86/90/542538690.db2.gz VJTNYVFQGUVDEG-QWQRMKEZSA-N 2 2 316.424 2.830 50 0 DFAALP c1ccc2c(c1)C[NH+](CCC[NH2+]Cc1cccc3c1OCCO3)C2 ZINC000071816971 184850907 /nfs/dbraw/zinc/85/09/07/184850907.db2.gz ACSMYKOIKQBDCP-UHFFFAOYSA-N 2 2 324.424 2.953 50 0 DFAALP CC[C@@H](C)Sc1ncc(C[N@H+](C)CCn2cc[nH+]c2)cn1 ZINC000215686860 542872851 /nfs/dbraw/zinc/87/28/51/542872851.db2.gz MCBZOYFLSHKEGV-CYBMUJFWSA-N 2 2 305.451 2.696 50 0 DFAALP CC[C@@H](C)Sc1ncc(C[N@@H+](C)CCn2cc[nH+]c2)cn1 ZINC000215686860 542872853 /nfs/dbraw/zinc/87/28/53/542872853.db2.gz MCBZOYFLSHKEGV-CYBMUJFWSA-N 2 2 305.451 2.696 50 0 DFAALP CO[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000096003172 285632315 /nfs/dbraw/zinc/63/23/15/285632315.db2.gz LTRAHJNRDMFPSZ-UONOGXRCSA-N 2 2 308.388 2.950 50 0 DFAALP COCCC[N@@H+]1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095391573 292353131 /nfs/dbraw/zinc/35/31/31/292353131.db2.gz GPNOSOQWCARHLA-CQSZACIVSA-N 2 2 320.462 2.604 50 0 DFAALP COCCC[N@H+]1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095391573 292353137 /nfs/dbraw/zinc/35/31/37/292353137.db2.gz GPNOSOQWCARHLA-CQSZACIVSA-N 2 2 320.462 2.604 50 0 DFAALP CC(=O)Nc1ccc(C[NH2+]CC[N@@H+](C)Cc2ccccc2)cc1 ZINC000067221984 425909304 /nfs/dbraw/zinc/90/93/04/425909304.db2.gz CSOHNVCOHYRGSD-UHFFFAOYSA-N 2 2 311.429 2.867 50 0 DFAALP CC(=O)Nc1ccc(C[NH2+]CC[N@H+](C)Cc2ccccc2)cc1 ZINC000067221984 425909305 /nfs/dbraw/zinc/90/93/05/425909305.db2.gz CSOHNVCOHYRGSD-UHFFFAOYSA-N 2 2 311.429 2.867 50 0 DFAALP c1cnn(-c2cccc(C[N@H+]3CCC[C@H](Cn4cc[nH+]c4)C3)c2)c1 ZINC000067774860 425913314 /nfs/dbraw/zinc/91/33/14/425913314.db2.gz CNNLEXUGTUBGNM-SFHVURJKSA-N 2 2 321.428 2.981 50 0 DFAALP c1cnn(-c2cccc(C[N@@H+]3CCC[C@H](Cn4cc[nH+]c4)C3)c2)c1 ZINC000067774860 425913315 /nfs/dbraw/zinc/91/33/15/425913315.db2.gz CNNLEXUGTUBGNM-SFHVURJKSA-N 2 2 321.428 2.981 50 0 DFAALP c1ccc(C[NH+]2CCC([N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)CC2)cc1 ZINC000067947621 425915067 /nfs/dbraw/zinc/91/50/67/425915067.db2.gz UJBGGBGNLADJCH-FQEVSTJZSA-N 3 2 313.489 2.727 50 0 DFAALP c1ccc(C[NH+]2CCC([N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)CC2)cc1 ZINC000067947621 425915068 /nfs/dbraw/zinc/91/50/68/425915068.db2.gz UJBGGBGNLADJCH-FQEVSTJZSA-N 3 2 313.489 2.727 50 0 DFAALP Cc1cc(F)ccc1NC(=O)C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000067872654 425914221 /nfs/dbraw/zinc/91/42/21/425914221.db2.gz SNPONMLJTVQGOC-UHFFFAOYSA-N 2 2 321.440 2.783 50 0 DFAALP Cc1cc(C)c(NC(=O)[C@@H]2CCC[N@H+]2CCC[NH+](C)C)c(C)c1 ZINC000000214209 425544486 /nfs/dbraw/zinc/54/44/86/425544486.db2.gz CJDMMBNLLKAYET-KRWDZBQOSA-N 2 2 317.477 2.966 50 0 DFAALP Cc1cc(C)c(NC(=O)[C@@H]2CCC[N@@H+]2CCC[NH+](C)C)c(C)c1 ZINC000000214209 425544490 /nfs/dbraw/zinc/54/44/90/425544490.db2.gz CJDMMBNLLKAYET-KRWDZBQOSA-N 2 2 317.477 2.966 50 0 DFAALP Cc1cc(C[N@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)n[nH]1 ZINC000012446307 425727054 /nfs/dbraw/zinc/72/70/54/425727054.db2.gz LVKXFAZESNSTFI-UHFFFAOYSA-N 2 2 316.449 2.964 50 0 DFAALP Cc1cc(C[N@@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)n[nH]1 ZINC000012446307 425727057 /nfs/dbraw/zinc/72/70/57/425727057.db2.gz LVKXFAZESNSTFI-UHFFFAOYSA-N 2 2 316.449 2.964 50 0 DFAALP Cc1cc(N2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)nc(N)[nH+]1 ZINC000019656923 425789672 /nfs/dbraw/zinc/78/96/72/425789672.db2.gz OICUUZGKHHVJMM-ZDUSSCGKSA-N 2 2 322.416 2.703 50 0 DFAALP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1 ZINC000038344924 425850908 /nfs/dbraw/zinc/85/09/08/425850908.db2.gz PHHSNFMWCLUIRW-RDJZCZTQSA-N 2 2 303.450 2.786 50 0 DFAALP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1 ZINC000038344924 425850909 /nfs/dbraw/zinc/85/09/09/425850909.db2.gz PHHSNFMWCLUIRW-RDJZCZTQSA-N 2 2 303.450 2.786 50 0 DFAALP Nc1nc(N[C@@H]2CC[C@@H]([NH3+])C2)cc(Sc2ccc(F)cc2)[nH+]1 ZINC000071751566 425988668 /nfs/dbraw/zinc/98/86/68/425988668.db2.gz MQWRYZUVOIOJKQ-GHMZBOCLSA-N 2 2 319.409 2.641 50 0 DFAALP C[C@@H](c1ccc(F)cc1F)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000071909030 426003578 /nfs/dbraw/zinc/00/35/78/426003578.db2.gz PRERJOMIHIBBEO-GOEBONIOSA-N 2 2 323.431 2.738 50 0 DFAALP C[C@@H](c1ccc(F)cc1F)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000071909030 426003579 /nfs/dbraw/zinc/00/35/79/426003579.db2.gz PRERJOMIHIBBEO-GOEBONIOSA-N 2 2 323.431 2.738 50 0 DFAALP O=C(Nc1c[nH+]ccc1-n1cc[nH+]c1)c1cc(F)ccc1F ZINC000075141158 426064350 /nfs/dbraw/zinc/06/43/50/426064350.db2.gz IPJPMFIMGFKKBA-UHFFFAOYSA-N 2 2 300.268 2.798 50 0 DFAALP Cc1ccc(F)c(C[N@@H+]2CCC[C@](O)(C[NH+]3CCCC3)C2)c1 ZINC000077406705 426131729 /nfs/dbraw/zinc/13/17/29/426131729.db2.gz OSPIUFIKSFVTBV-SFHVURJKSA-N 2 2 306.425 2.557 50 0 DFAALP Cc1ccc(F)c(C[N@H+]2CCC[C@](O)(C[NH+]3CCCC3)C2)c1 ZINC000077406705 426131730 /nfs/dbraw/zinc/13/17/30/426131730.db2.gz OSPIUFIKSFVTBV-SFHVURJKSA-N 2 2 306.425 2.557 50 0 DFAALP C[N@H+](Cc1sc2ccccc2c1Cl)C[C@]1(O)CC[NH2+]C1 ZINC000077453807 426134139 /nfs/dbraw/zinc/13/41/39/426134139.db2.gz WPGJQVPYUKBPOY-HNNXBMFYSA-N 2 2 310.850 2.711 50 0 DFAALP C[N@@H+](Cc1sc2ccccc2c1Cl)C[C@]1(O)CC[NH2+]C1 ZINC000077453807 426134141 /nfs/dbraw/zinc/13/41/41/426134141.db2.gz WPGJQVPYUKBPOY-HNNXBMFYSA-N 2 2 310.850 2.711 50 0 DFAALP O[C@]1(C[NH+]2CCCCC2)CC[N@H+](C/C=C/c2ccccc2)C1 ZINC000077504492 426136849 /nfs/dbraw/zinc/13/68/49/426136849.db2.gz HEVJYQPPUVRGIL-VQFGERMISA-N 2 2 300.446 2.623 50 0 DFAALP O[C@]1(C[NH+]2CCCCC2)CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000077504492 426136853 /nfs/dbraw/zinc/13/68/53/426136853.db2.gz HEVJYQPPUVRGIL-VQFGERMISA-N 2 2 300.446 2.623 50 0 DFAALP CCOCC[N@@H+]1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095370449 426368915 /nfs/dbraw/zinc/36/89/15/426368915.db2.gz LWBFFVRNWVXRAM-CQSZACIVSA-N 2 2 320.462 2.604 50 0 DFAALP CCOCC[N@H+]1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095370449 426368918 /nfs/dbraw/zinc/36/89/18/426368918.db2.gz LWBFFVRNWVXRAM-CQSZACIVSA-N 2 2 320.462 2.604 50 0 DFAALP O[C@@H](C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccc(F)cc1 ZINC000097200646 426458145 /nfs/dbraw/zinc/45/81/45/426458145.db2.gz KNENPSDASRINBO-PBHICJAKSA-N 2 2 315.392 2.688 50 0 DFAALP O[C@@H](C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccc(F)cc1 ZINC000097200646 426458146 /nfs/dbraw/zinc/45/81/46/426458146.db2.gz KNENPSDASRINBO-PBHICJAKSA-N 2 2 315.392 2.688 50 0 DFAALP Cc1c2cccc(Cl)c2[nH]c1C[N@@H+]1CCO[C@H](CC[NH3+])C1 ZINC000097425185 426466205 /nfs/dbraw/zinc/46/62/05/426466205.db2.gz VQPASBIXGRFLGG-GFCCVEGCSA-N 2 2 307.825 2.679 50 0 DFAALP Cc1c2cccc(Cl)c2[nH]c1C[N@H+]1CCO[C@H](CC[NH3+])C1 ZINC000097425185 426466209 /nfs/dbraw/zinc/46/62/09/426466209.db2.gz VQPASBIXGRFLGG-GFCCVEGCSA-N 2 2 307.825 2.679 50 0 DFAALP O[C@H](C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1cccc(F)c1 ZINC000222199753 426582273 /nfs/dbraw/zinc/58/22/73/426582273.db2.gz XFNPAUWWYXGEMN-WMLDXEAASA-N 2 2 315.392 2.688 50 0 DFAALP O[C@H](C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1cccc(F)c1 ZINC000222199753 426582277 /nfs/dbraw/zinc/58/22/77/426582277.db2.gz XFNPAUWWYXGEMN-WMLDXEAASA-N 2 2 315.392 2.688 50 0 DFAALP O[C@H](C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1F ZINC000222199459 426582347 /nfs/dbraw/zinc/58/23/47/426582347.db2.gz FPSLOCIIMRDWCA-WMLDXEAASA-N 2 2 315.392 2.688 50 0 DFAALP O[C@H](C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1F ZINC000222199459 426582352 /nfs/dbraw/zinc/58/23/52/426582352.db2.gz FPSLOCIIMRDWCA-WMLDXEAASA-N 2 2 315.392 2.688 50 0 DFAALP Cc1scc(CCNc2cc([C@H]3C[C@H]([NH3+])C3)[nH+]c(N)n2)c1C ZINC000244742190 426727751 /nfs/dbraw/zinc/72/77/51/426727751.db2.gz ODJZBZDEAFGOJY-JOCQHMNTSA-N 2 2 317.462 2.596 50 0 DFAALP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2cccc3[nH]ccc32)CCO1 ZINC000275537943 426867005 /nfs/dbraw/zinc/86/70/05/426867005.db2.gz MKAOGKZWGLLHQG-KSSFIOAISA-N 2 2 310.401 2.911 50 0 DFAALP Cc1ncccc1C[N@@H+]1CCC[C@H](Nc2ccc(N)[nH+]c2)CC1 ZINC000328626258 426983512 /nfs/dbraw/zinc/98/35/12/426983512.db2.gz DYLVWHHEMRDIKJ-INIZCTEOSA-N 2 2 311.433 2.834 50 0 DFAALP Cc1ncccc1C[N@H+]1CCC[C@H](Nc2ccc(N)[nH+]c2)CC1 ZINC000328626258 426983520 /nfs/dbraw/zinc/98/35/20/426983520.db2.gz DYLVWHHEMRDIKJ-INIZCTEOSA-N 2 2 311.433 2.834 50 0 DFAALP Cc1cc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc[nH+]1 ZINC000189753898 426943521 /nfs/dbraw/zinc/94/35/21/426943521.db2.gz ANHSCVCCYGHMIS-DLBZAZTESA-N 2 2 310.401 2.957 50 0 DFAALP Cc1cc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc[nH+]1 ZINC000189753898 426943530 /nfs/dbraw/zinc/94/35/30/426943530.db2.gz ANHSCVCCYGHMIS-DLBZAZTESA-N 2 2 310.401 2.957 50 0 DFAALP Cc1nc(-c2ccccc2-c2[nH]cc[nH+]2)n(C2CC[NH+](C)CC2)n1 ZINC000096138654 302537973 /nfs/dbraw/zinc/53/79/73/302537973.db2.gz FMDQDMZHJNFFAO-UHFFFAOYSA-N 2 2 322.416 2.910 50 0 DFAALP c1ccc(N2CCC([NH+]3CCC([NH2+]CC4CC4)CC3)CC2)[nH+]c1 ZINC000097165814 332193784 /nfs/dbraw/zinc/19/37/84/332193784.db2.gz GAWKZGPCIBGICH-UHFFFAOYSA-N 3 2 314.477 2.514 50 0 DFAALP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000534650581 334311775 /nfs/dbraw/zinc/31/17/75/334311775.db2.gz RMDOBCLQUNWYHP-OAHLLOKOSA-N 2 2 316.424 2.665 50 0 DFAALP CCCN(Cc1[nH+]ccn1C)C(=O)[C@@H](C)n1cc[nH+]c1C(C)C ZINC000095519597 185377218 /nfs/dbraw/zinc/37/72/18/185377218.db2.gz GKFDRGYULIKGLV-CQSZACIVSA-N 2 2 317.437 2.740 50 0 DFAALP Cc1cc(N2CCC[C@H]([N@H+](C)Cc3ccccn3)CC2)nc[nH+]1 ZINC000328624582 231256625 /nfs/dbraw/zinc/25/66/25/231256625.db2.gz CNWQOHHHBRZTHF-KRWDZBQOSA-N 2 2 311.433 2.671 50 0 DFAALP Cc1cc(N2CCC[C@H]([N@@H+](C)Cc3ccccn3)CC2)nc[nH+]1 ZINC000328624582 231256630 /nfs/dbraw/zinc/25/66/30/231256630.db2.gz CNWQOHHHBRZTHF-KRWDZBQOSA-N 2 2 311.433 2.671 50 0 DFAALP c1cn(CC2CC2)c(C2CC[NH+](CC[C@H]3CCOC3)CC2)[nH+]1 ZINC000082109644 192358412 /nfs/dbraw/zinc/35/84/12/192358412.db2.gz XCFAPSKTUUNAKX-INIZCTEOSA-N 2 2 303.450 2.899 50 0 DFAALP O[C@@H](C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)c1cccc(Cl)c1 ZINC000095428230 185362407 /nfs/dbraw/zinc/36/24/07/185362407.db2.gz MXZCPZKKZPMWIU-IRXDYDNUSA-N 2 2 318.804 2.922 50 0 DFAALP O[C@@H](C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)c1cccc(Cl)c1 ZINC000095428230 185362408 /nfs/dbraw/zinc/36/24/08/185362408.db2.gz MXZCPZKKZPMWIU-IRXDYDNUSA-N 2 2 318.804 2.922 50 0 DFAALP COCC[N@@H+]1CCC[C@H]([NH2+][C@H](C)c2ccc(OC)c(F)c2)C1 ZINC000095422069 185360761 /nfs/dbraw/zinc/36/07/61/185360761.db2.gz MLFGBMHNCTZXJG-HIFRSBDPSA-N 2 2 310.413 2.596 50 0 DFAALP COCC[N@H+]1CCC[C@H]([NH2+][C@H](C)c2ccc(OC)c(F)c2)C1 ZINC000095422069 185360762 /nfs/dbraw/zinc/36/07/62/185360762.db2.gz MLFGBMHNCTZXJG-HIFRSBDPSA-N 2 2 310.413 2.596 50 0 DFAALP C[NH+]1CCC(NC[C@H](c2ccccc2F)[NH+]2CCCC2)CC1 ZINC000584893239 398428258 /nfs/dbraw/zinc/42/82/58/398428258.db2.gz VRABMQAIBQVHLC-GOSISDBHSA-N 2 2 305.441 2.646 50 0 DFAALP C[NH+]1CCC([NH2+]C[C@H](c2ccccc2F)N2CCCC2)CC1 ZINC000584893239 398428259 /nfs/dbraw/zinc/42/82/59/398428259.db2.gz VRABMQAIBQVHLC-GOSISDBHSA-N 2 2 305.441 2.646 50 0 DFAALP Cn1cc(C[NH2+]C[C@H]2CCCn3cc(C(C)(C)C)[nH+]c32)cn1 ZINC000089725159 398464548 /nfs/dbraw/zinc/46/45/48/398464548.db2.gz SGPCZAZGYREKCR-CQSZACIVSA-N 2 2 301.438 2.581 50 0 DFAALP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000071735727 191018243 /nfs/dbraw/zinc/01/82/43/191018243.db2.gz CSLWQXMORUAZAV-MRXNPFEDSA-N 2 2 305.809 2.918 50 0 DFAALP Cc1[nH+]ccn1CC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000071735727 191018245 /nfs/dbraw/zinc/01/82/45/191018245.db2.gz CSLWQXMORUAZAV-MRXNPFEDSA-N 2 2 305.809 2.918 50 0 DFAALP CCCSc1ncc(C[N@@H+]2CCCn3c[nH+]cc3C2)cn1 ZINC000072140500 191048664 /nfs/dbraw/zinc/04/86/64/191048664.db2.gz HYSZUTKRVFCELP-UHFFFAOYSA-N 2 2 303.435 2.581 50 0 DFAALP CCCSc1ncc(C[N@H+]2CCCn3c[nH+]cc3C2)cn1 ZINC000072140500 191048667 /nfs/dbraw/zinc/04/86/67/191048667.db2.gz HYSZUTKRVFCELP-UHFFFAOYSA-N 2 2 303.435 2.581 50 0 DFAALP OC[C@H]1CCCCC[C@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000097236283 398667103 /nfs/dbraw/zinc/66/71/03/398667103.db2.gz KEDSNRCFWQDXGS-UKRRQHHQSA-N 2 2 322.415 2.934 50 0 DFAALP Cc1c(C)n(-c2cc[nH+]cc2)c2nc[nH+]c(NCCC[NH+](C)C)c12 ZINC000005345144 181232250 /nfs/dbraw/zinc/23/22/50/181232250.db2.gz DBBNZYSYWRSOTE-UHFFFAOYSA-N 3 2 324.432 2.796 50 0 DFAALP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000237081818 202146751 /nfs/dbraw/zinc/14/67/51/202146751.db2.gz SEWQNMBTJVBPAW-GOSISDBHSA-N 2 2 311.429 2.844 50 0 DFAALP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000237081818 202146755 /nfs/dbraw/zinc/14/67/55/202146755.db2.gz SEWQNMBTJVBPAW-GOSISDBHSA-N 2 2 311.429 2.844 50 0 DFAALP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1C(C)C ZINC000022041624 182305826 /nfs/dbraw/zinc/30/58/26/182305826.db2.gz HAHPTMDDSGHXQD-IRXDYDNUSA-N 2 2 320.477 2.624 50 0 DFAALP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1C(C)C ZINC000022041624 182305828 /nfs/dbraw/zinc/30/58/28/182305828.db2.gz HAHPTMDDSGHXQD-IRXDYDNUSA-N 2 2 320.477 2.624 50 0 DFAALP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)cc1 ZINC000065410108 184339947 /nfs/dbraw/zinc/33/99/47/184339947.db2.gz CIOSOXJRFRRTHO-KRWDZBQOSA-N 2 2 312.417 2.754 50 0 DFAALP CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)cc1 ZINC000065410108 184339949 /nfs/dbraw/zinc/33/99/49/184339949.db2.gz CIOSOXJRFRRTHO-KRWDZBQOSA-N 2 2 312.417 2.754 50 0 DFAALP c1coc(C[NH+]2CCN(C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)c1 ZINC000426479719 257249651 /nfs/dbraw/zinc/24/96/51/257249651.db2.gz JTJQLQFKGPYQLL-PKOBYXMFSA-N 2 2 317.477 2.662 50 0 DFAALP c1coc(C[NH+]2CCN(C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)c1 ZINC000426479719 257249653 /nfs/dbraw/zinc/24/96/53/257249653.db2.gz JTJQLQFKGPYQLL-PKOBYXMFSA-N 2 2 317.477 2.662 50 0 DFAALP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000121042407 195285198 /nfs/dbraw/zinc/28/51/98/195285198.db2.gz ABPZTSHXLMHNJU-QGTPRVQTSA-N 2 2 311.429 2.892 50 0 DFAALP O[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000216077521 542874462 /nfs/dbraw/zinc/87/44/62/542874462.db2.gz CJJSFJCMIDBDSG-FQEVSTJZSA-N 2 2 319.408 2.966 50 0 DFAALP O[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000216077521 542874466 /nfs/dbraw/zinc/87/44/66/542874466.db2.gz CJJSFJCMIDBDSG-FQEVSTJZSA-N 2 2 319.408 2.966 50 0 DFAALP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261772111 146273721 /nfs/dbraw/zinc/27/37/21/146273721.db2.gz DSWGOQCUDXMWME-KRWDZBQOSA-N 3 2 312.461 2.809 50 0 DFAALP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261772111 146273725 /nfs/dbraw/zinc/27/37/25/146273725.db2.gz DSWGOQCUDXMWME-KRWDZBQOSA-N 3 2 312.461 2.809 50 0 DFAALP c1cn(CC[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)c[nH+]1 ZINC000131833462 196202455 /nfs/dbraw/zinc/20/24/55/196202455.db2.gz AUQNAXGZLUVURT-UHFFFAOYSA-N 2 2 313.401 2.713 50 0 DFAALP CC[NH+]1CCC([NH+]2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC000000181982 425541708 /nfs/dbraw/zinc/54/17/08/425541708.db2.gz MVPCKEGPJAEYEO-UHFFFAOYSA-N 2 2 307.869 2.946 50 0 DFAALP c1ccc(N2CCC([NH2+]Cc3cccc4c3OCO4)CC2)[nH+]c1 ZINC000047703619 425871570 /nfs/dbraw/zinc/87/15/70/425871570.db2.gz PANKYFNYUJONKE-UHFFFAOYSA-N 2 2 311.385 2.569 50 0 DFAALP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]Cc3cccs3)c2cc1C ZINC000048230454 425873664 /nfs/dbraw/zinc/87/36/64/425873664.db2.gz AADFPDYNUNYZRA-CQSZACIVSA-N 2 2 315.442 2.865 50 0 DFAALP C[C@H](c1ccc(F)cc1F)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000071909033 426003492 /nfs/dbraw/zinc/00/34/92/426003492.db2.gz PRERJOMIHIBBEO-ZBFHGGJFSA-N 2 2 323.431 2.738 50 0 DFAALP C[C@H](c1ccc(F)cc1F)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000071909033 426003493 /nfs/dbraw/zinc/00/34/93/426003493.db2.gz PRERJOMIHIBBEO-ZBFHGGJFSA-N 2 2 323.431 2.738 50 0 DFAALP C[NH+](C)CCOc1ccc(CNc2cc[nH+]c(C3CC3)n2)cc1 ZINC000110228546 426032688 /nfs/dbraw/zinc/03/26/88/426032688.db2.gz BXJGDWWNQASJDT-UHFFFAOYSA-N 2 2 312.417 2.907 50 0 DFAALP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000072299678 426014070 /nfs/dbraw/zinc/01/40/70/426014070.db2.gz SHLFURILVNRFDC-LBPRGKRZSA-N 2 2 309.841 2.659 50 0 DFAALP O[C@]1(C[NH+]2CCCCC2)CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000077472005 426135773 /nfs/dbraw/zinc/13/57/73/426135773.db2.gz JGRJEXHCNLMXMQ-KRWDZBQOSA-N 2 2 308.853 2.763 50 0 DFAALP O[C@]1(C[NH+]2CCCCC2)CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000077472005 426135776 /nfs/dbraw/zinc/13/57/76/426135776.db2.gz JGRJEXHCNLMXMQ-KRWDZBQOSA-N 2 2 308.853 2.763 50 0 DFAALP c1cn(C2CC[NH+](C[C@H]3CCCO3)CC2)c(-c2ccncc2)[nH+]1 ZINC000077504603 426136497 /nfs/dbraw/zinc/13/64/97/426136497.db2.gz JOCSWIKZWOQYNT-QGZVFWFLSA-N 2 2 312.417 2.761 50 0 DFAALP Cc1cc(F)ccc1C[N@@H+]1CC[C@](O)(C[NH+]2CCCCC2)C1 ZINC000077489359 426137043 /nfs/dbraw/zinc/13/70/43/426137043.db2.gz ZWAPTUXLWKBVOB-SFHVURJKSA-N 2 2 306.425 2.557 50 0 DFAALP Cc1cc(F)ccc1C[N@H+]1CC[C@](O)(C[NH+]2CCCCC2)C1 ZINC000077489359 426137045 /nfs/dbraw/zinc/13/70/45/426137045.db2.gz ZWAPTUXLWKBVOB-SFHVURJKSA-N 2 2 306.425 2.557 50 0 DFAALP CCC[C@H](NC(=O)CC1CC[NH+](C(C)C)CC1)c1[nH+]ccn1C ZINC000095372133 426369869 /nfs/dbraw/zinc/36/98/69/426369869.db2.gz MBEDRIDIOLTPLH-INIZCTEOSA-N 2 2 320.481 2.888 50 0 DFAALP Cc1cccc(N2CCC([NH2+][C@H]3C[N@H+](C(C)C)C[C@@H]3C)CC2)[nH+]1 ZINC000095422612 426372169 /nfs/dbraw/zinc/37/21/69/426372169.db2.gz IIWXNRHDSOHGAU-YJBOKZPZSA-N 3 2 316.493 2.677 50 0 DFAALP Cc1cccc(N2CCC([NH2+][C@H]3C[N@@H+](C(C)C)C[C@@H]3C)CC2)[nH+]1 ZINC000095422612 426372172 /nfs/dbraw/zinc/37/21/72/426372172.db2.gz IIWXNRHDSOHGAU-YJBOKZPZSA-N 3 2 316.493 2.677 50 0 DFAALP Cc1ccc([C@@H](CCn2cncn2)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000095940763 426375460 /nfs/dbraw/zinc/37/54/60/426375460.db2.gz IRZCCEQIVGZBIC-GOSISDBHSA-N 2 2 324.432 2.594 50 0 DFAALP C[C@@H]1C[C@@H](N(C)Cc2[nH+]ccn2C)CC[N@@H+]1Cc1ccccc1 ZINC000096414934 426418747 /nfs/dbraw/zinc/41/87/47/426418747.db2.gz NULWCOLXZRRKEF-AEFFLSMTSA-N 2 2 312.461 2.905 50 0 DFAALP C[C@@H]1C[C@@H](N(C)Cc2[nH+]ccn2C)CC[N@H+]1Cc1ccccc1 ZINC000096414934 426418751 /nfs/dbraw/zinc/41/87/51/426418751.db2.gz NULWCOLXZRRKEF-AEFFLSMTSA-N 2 2 312.461 2.905 50 0 DFAALP CCc1nnc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1C ZINC000097081917 426446057 /nfs/dbraw/zinc/44/60/57/426446057.db2.gz ASYYSCRJQIGPSI-ZDUSSCGKSA-N 2 2 324.432 2.722 50 0 DFAALP Cn1c(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)nc2ccccc21 ZINC000097200749 426458020 /nfs/dbraw/zinc/45/80/20/426458020.db2.gz IZACWMFQPCWIHA-OAHLLOKOSA-N 2 2 321.428 2.902 50 0 DFAALP Cn1c(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)nc2ccccc21 ZINC000097200749 426458023 /nfs/dbraw/zinc/45/80/23/426458023.db2.gz IZACWMFQPCWIHA-OAHLLOKOSA-N 2 2 321.428 2.902 50 0 DFAALP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000097212739 426458787 /nfs/dbraw/zinc/45/87/87/426458787.db2.gz ATBUGABBTSHPIA-HNNXBMFYSA-N 2 2 312.417 2.845 50 0 DFAALP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000097212739 426458790 /nfs/dbraw/zinc/45/87/90/426458790.db2.gz ATBUGABBTSHPIA-HNNXBMFYSA-N 2 2 312.417 2.845 50 0 DFAALP C[C@@H](c1ccsc1)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000097378921 426465538 /nfs/dbraw/zinc/46/55/38/426465538.db2.gz SVUPCEGYEPCIGZ-HNNXBMFYSA-N 2 2 304.463 2.714 50 0 DFAALP c1cn(CC2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)c[nH+]1 ZINC000097696160 426471780 /nfs/dbraw/zinc/47/17/80/426471780.db2.gz QEEIFCUMBKKWCU-UHFFFAOYSA-N 2 2 313.401 2.567 50 0 DFAALP C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000222200262 426582329 /nfs/dbraw/zinc/58/23/29/426582329.db2.gz NUSLWGFFJYVQOW-STQMWFEESA-N 2 2 313.405 2.837 50 0 DFAALP C[C@@H](c1nc(C2CC2)no1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000222200262 426582333 /nfs/dbraw/zinc/58/23/33/426582333.db2.gz NUSLWGFFJYVQOW-STQMWFEESA-N 2 2 313.405 2.837 50 0 DFAALP c1cn(Cc2ccccc2)c(CN2CC[N@@H+]3CCCC[C@H]3C2)[nH+]1 ZINC000246189813 426806641 /nfs/dbraw/zinc/80/66/41/426806641.db2.gz MBFPLPQKJRVTIO-SFHVURJKSA-N 2 2 310.445 2.602 50 0 DFAALP c1cn(Cc2ccccc2)c(CN2CC[N@H+]3CCCC[C@H]3C2)[nH+]1 ZINC000246189813 426806646 /nfs/dbraw/zinc/80/66/46/426806646.db2.gz MBFPLPQKJRVTIO-SFHVURJKSA-N 2 2 310.445 2.602 50 0 DFAALP CC(C)c1nnc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)n1C ZINC000189911664 426978438 /nfs/dbraw/zinc/97/84/38/426978438.db2.gz ZCNRPMARAOVYCO-CQSZACIVSA-N 2 2 324.432 2.975 50 0 DFAALP Cc1csc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)n1 ZINC000190486353 427123617 /nfs/dbraw/zinc/12/36/17/427123617.db2.gz QABLHXMIPKWQRO-MRXNPFEDSA-N 2 2 316.474 2.800 50 0 DFAALP Cc1csc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)n1 ZINC000190486353 427123625 /nfs/dbraw/zinc/12/36/25/427123625.db2.gz QABLHXMIPKWQRO-MRXNPFEDSA-N 2 2 316.474 2.800 50 0 DFAALP Cc1csc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)n1 ZINC000190486353 427123629 /nfs/dbraw/zinc/12/36/29/427123629.db2.gz QABLHXMIPKWQRO-MRXNPFEDSA-N 2 2 316.474 2.800 50 0 DFAALP Cc1csc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)n1 ZINC000190486353 427123635 /nfs/dbraw/zinc/12/36/35/427123635.db2.gz QABLHXMIPKWQRO-MRXNPFEDSA-N 2 2 316.474 2.800 50 0 DFAALP C[N@H+]1[C@@H]2CC[C@H]1CCN(Cc1c[nH+]cn1Cc1ccccc1)C2 ZINC000252485107 427179534 /nfs/dbraw/zinc/17/95/34/427179534.db2.gz GNPGPVISYBASND-ZWKOTPCHSA-N 2 2 310.445 2.600 50 0 DFAALP C[N@@H+]1[C@@H]2CC[C@H]1CCN(Cc1c[nH+]cn1Cc1ccccc1)C2 ZINC000252485107 427179537 /nfs/dbraw/zinc/17/95/37/427179537.db2.gz GNPGPVISYBASND-ZWKOTPCHSA-N 2 2 310.445 2.600 50 0 DFAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]CCc1csc(-c2ccncc2)n1 ZINC000534642365 334305878 /nfs/dbraw/zinc/30/58/78/334305878.db2.gz MZTOUUSLSVDOLQ-ZDUSSCGKSA-N 2 2 313.430 2.622 50 0 DFAALP Cc1nc(C)c(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)s1 ZINC000328656916 534883472 /nfs/dbraw/zinc/88/34/72/534883472.db2.gz ZUOFSCCZFUOLDV-RDJZCZTQSA-N 2 2 316.474 2.938 50 0 DFAALP Cc1nc(C)c(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)s1 ZINC000328656916 534883474 /nfs/dbraw/zinc/88/34/74/534883474.db2.gz ZUOFSCCZFUOLDV-RDJZCZTQSA-N 2 2 316.474 2.938 50 0 DFAALP CCCCn1cc[nH+]c1[C@H]1CCCN(c2cc(C)[nH+]c(N)n2)C1 ZINC000095522614 185377578 /nfs/dbraw/zinc/37/75/78/185377578.db2.gz NGSWHXKKZUSOPK-AWEZNQCLSA-N 2 2 314.437 2.748 50 0 DFAALP Cc1ccccc1OC1CN(c2ccc(Cn3cc[nH+]c3)c[nH+]2)C1 ZINC000082134215 192360268 /nfs/dbraw/zinc/36/02/68/192360268.db2.gz JRDZSUJOPLJKOR-UHFFFAOYSA-N 2 2 320.396 2.902 50 0 DFAALP c1c[nH+]c(CNc2cccc(OCC[NH+]3CCCCC3)c2)[nH]1 ZINC000095429061 185362728 /nfs/dbraw/zinc/36/27/28/185362728.db2.gz JYNGLUNNBLEEJO-UHFFFAOYSA-N 2 2 300.406 2.887 50 0 DFAALP CCc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092071467 398556257 /nfs/dbraw/zinc/55/62/57/398556257.db2.gz ZCXUVFLQWJGMIW-LLVKDONJSA-N 2 2 307.829 2.739 50 0 DFAALP CCc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092071467 398556260 /nfs/dbraw/zinc/55/62/60/398556260.db2.gz ZCXUVFLQWJGMIW-LLVKDONJSA-N 2 2 307.829 2.739 50 0 DFAALP c1cc(C[N@H+](Cc2cncnc2)[C@@H]2CCC[NH2+]CC2)cs1 ZINC000328647159 398568836 /nfs/dbraw/zinc/56/88/36/398568836.db2.gz TUJUJVJIUQDSBG-MRXNPFEDSA-N 2 2 302.447 2.682 50 0 DFAALP c1cc(C[N@@H+](Cc2cncnc2)[C@@H]2CCC[NH2+]CC2)cs1 ZINC000328647159 398568837 /nfs/dbraw/zinc/56/88/37/398568837.db2.gz TUJUJVJIUQDSBG-MRXNPFEDSA-N 2 2 302.447 2.682 50 0 DFAALP C[C@H]1CC([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C[C@H](C)O1 ZINC000328655194 398569021 /nfs/dbraw/zinc/56/90/21/398569021.db2.gz YDADSUZCBLRYRK-DNUAJFIVSA-N 2 2 303.450 2.620 50 0 DFAALP C[C@H]1CC([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C[C@H](C)O1 ZINC000328655194 398569024 /nfs/dbraw/zinc/56/90/24/398569024.db2.gz YDADSUZCBLRYRK-DNUAJFIVSA-N 2 2 303.450 2.620 50 0 DFAALP Cc1[nH+]c[nH]c1CN1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000072145078 191050699 /nfs/dbraw/zinc/05/06/99/191050699.db2.gz DSUCBBMKPMCSCR-UHFFFAOYSA-N 2 2 312.461 2.859 50 0 DFAALP Cc1[nH+]c[nH]c1CN1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000072145078 191050702 /nfs/dbraw/zinc/05/07/02/191050702.db2.gz DSUCBBMKPMCSCR-UHFFFAOYSA-N 2 2 312.461 2.859 50 0 DFAALP c1cn(CCC[NH+]2CCN(c3cncc4ccccc43)CC2)c[nH+]1 ZINC000276512499 212929122 /nfs/dbraw/zinc/92/91/22/212929122.db2.gz ZZEMLEUVEMPGPR-UHFFFAOYSA-N 2 2 321.428 2.644 50 0 DFAALP OC[C@H]1C[N@H+](Cc2ccc(Cl)s2)C[C@H]1C[NH+]1CCCC1 ZINC000091781317 193107151 /nfs/dbraw/zinc/10/71/51/193107151.db2.gz OYQLUJRUCVJFOZ-CHWSQXEVSA-N 2 2 314.882 2.538 50 0 DFAALP OC[C@H]1C[N@@H+](Cc2ccc(Cl)s2)C[C@H]1C[NH+]1CCCC1 ZINC000091781317 193107152 /nfs/dbraw/zinc/10/71/52/193107152.db2.gz OYQLUJRUCVJFOZ-CHWSQXEVSA-N 2 2 314.882 2.538 50 0 DFAALP C[C@@H]1C[NH+](C2CC[NH+](Cc3cccc(F)c3)CC2)C[C@@H](C)O1 ZINC000019889903 182160903 /nfs/dbraw/zinc/16/09/03/182160903.db2.gz LAZNVXWGHHPATP-HUUCEWRRSA-N 2 2 306.425 2.899 50 0 DFAALP CCCC[N@H+](C)CC(=O)Nc1cc(N(C)C)[nH+]c2ccccc12 ZINC000020033361 182182374 /nfs/dbraw/zinc/18/23/74/182182374.db2.gz VCCOJDXBOKHJSD-UHFFFAOYSA-N 2 2 314.433 2.971 50 0 DFAALP CCCC[N@@H+](C)CC(=O)Nc1cc(N(C)C)[nH+]c2ccccc12 ZINC000020033361 182182377 /nfs/dbraw/zinc/18/23/77/182182377.db2.gz VCCOJDXBOKHJSD-UHFFFAOYSA-N 2 2 314.433 2.971 50 0 DFAALP CC(C)[NH+]1CCC([N@H+](C)CC(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000058324798 184105318 /nfs/dbraw/zinc/10/53/18/184105318.db2.gz YNNJHTQWSRCASM-INIZCTEOSA-N 2 2 317.477 2.668 50 0 DFAALP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000058324798 184105320 /nfs/dbraw/zinc/10/53/20/184105320.db2.gz YNNJHTQWSRCASM-INIZCTEOSA-N 2 2 317.477 2.668 50 0 DFAALP Cc1c[nH+]c(NCc2ccccc2-n2cc[nH+]c2)nc1N(C)C ZINC000065528130 184360147 /nfs/dbraw/zinc/36/01/47/184360147.db2.gz KVEOZGZPAVUHBK-UHFFFAOYSA-N 2 2 308.389 2.649 50 0 DFAALP Cc1[nH]c(CN2C[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)c[nH+]1 ZINC000215797397 542873715 /nfs/dbraw/zinc/87/37/15/542873715.db2.gz DEIRURYPIPGMHY-MJGOQNOKSA-N 2 2 310.445 2.815 50 0 DFAALP Cc1[nH]c(CN2C[C@@H]3CC[C@H]2C[N@@H+](Cc2ccccc2)C3)c[nH+]1 ZINC000215797397 542873719 /nfs/dbraw/zinc/87/37/19/542873719.db2.gz DEIRURYPIPGMHY-MJGOQNOKSA-N 2 2 310.445 2.815 50 0 DFAALP Cc1[nH]cc(CN2C[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)[nH+]1 ZINC000215797397 542873723 /nfs/dbraw/zinc/87/37/23/542873723.db2.gz DEIRURYPIPGMHY-MJGOQNOKSA-N 2 2 310.445 2.815 50 0 DFAALP Cc1[nH]cc(CN2C[C@@H]3CC[C@H]2C[N@@H+](Cc2ccccc2)C3)[nH+]1 ZINC000215797397 542873726 /nfs/dbraw/zinc/87/37/26/542873726.db2.gz DEIRURYPIPGMHY-MJGOQNOKSA-N 2 2 310.445 2.815 50 0 DFAALP CC[C@H](C)Sc1ncc(C[N@H+](C)CCn2cc[nH+]c2)cn1 ZINC000215686910 542873197 /nfs/dbraw/zinc/87/31/97/542873197.db2.gz MCBZOYFLSHKEGV-ZDUSSCGKSA-N 2 2 305.451 2.696 50 0 DFAALP CC[C@H](C)Sc1ncc(C[N@@H+](C)CCn2cc[nH+]c2)cn1 ZINC000215686910 542873199 /nfs/dbraw/zinc/87/31/99/542873199.db2.gz MCBZOYFLSHKEGV-ZDUSSCGKSA-N 2 2 305.451 2.696 50 0 DFAALP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261772117 146274257 /nfs/dbraw/zinc/27/42/57/146274257.db2.gz DSWGOQCUDXMWME-QGZVFWFLSA-N 3 2 312.461 2.809 50 0 DFAALP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261772117 146274259 /nfs/dbraw/zinc/27/42/59/146274259.db2.gz DSWGOQCUDXMWME-QGZVFWFLSA-N 3 2 312.461 2.809 50 0 DFAALP COc1ccc(OC[C@H]2CCC[N@H+](CCc3[nH]cc[nH+]3)C2)cc1 ZINC000670469994 544045075 /nfs/dbraw/zinc/04/50/75/544045075.db2.gz IEBFEYHNSIXGEQ-HNNXBMFYSA-N 2 2 315.417 2.752 50 0 DFAALP COc1ccc(OC[C@H]2CCC[N@@H+](CCc3[nH]cc[nH+]3)C2)cc1 ZINC000670469994 544045077 /nfs/dbraw/zinc/04/50/77/544045077.db2.gz IEBFEYHNSIXGEQ-HNNXBMFYSA-N 2 2 315.417 2.752 50 0 DFAALP OC[C@H]1CCC[N@H+](CCCNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000670473075 544045571 /nfs/dbraw/zinc/04/55/71/544045571.db2.gz FHKXDAKCMDSIFJ-LBPRGKRZSA-N 2 2 317.355 2.607 50 0 DFAALP OC[C@H]1CCC[N@@H+](CCCNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000670473075 544045574 /nfs/dbraw/zinc/04/55/74/544045574.db2.gz FHKXDAKCMDSIFJ-LBPRGKRZSA-N 2 2 317.355 2.607 50 0 DFAALP CCc1nnc(C[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)s1 ZINC000299740203 229373704 /nfs/dbraw/zinc/37/37/04/229373704.db2.gz WYZQUMJMLFQCAV-GFCCVEGCSA-N 2 2 317.462 2.623 50 0 DFAALP CCc1nnc(C[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)s1 ZINC000299740203 229373709 /nfs/dbraw/zinc/37/37/09/229373709.db2.gz WYZQUMJMLFQCAV-GFCCVEGCSA-N 2 2 317.462 2.623 50 0 DFAALP c1cnn(Cc2cccc(-c3[nH+]ccn3CCn3cc[nH+]c3)c2)c1 ZINC000067650221 425912102 /nfs/dbraw/zinc/91/21/02/425912102.db2.gz RZJDSRSZADTSCV-UHFFFAOYSA-N 2 2 318.384 2.692 50 0 DFAALP c1c(Cc2ccccc2)n[nH]c1C1CC[NH+]([C@H]2CCC[NH2+]C2)CC1 ZINC000067842521 425913821 /nfs/dbraw/zinc/91/38/21/425913821.db2.gz GDXKTCRUTQZFGZ-IBGZPJMESA-N 2 2 324.472 2.932 50 0 DFAALP c1c(Cc2ccccc2)[nH]nc1C1CC[NH+]([C@H]2CCC[NH2+]C2)CC1 ZINC000067842521 425913822 /nfs/dbraw/zinc/91/38/22/425913822.db2.gz GDXKTCRUTQZFGZ-IBGZPJMESA-N 2 2 324.472 2.932 50 0 DFAALP CC[N@@H+]1CCN(C(=O)c2cccc(-c3[nH]cc[nH+]3)c2)CC1(C)C ZINC000067885030 425914134 /nfs/dbraw/zinc/91/41/34/425914134.db2.gz UMPZJTATGXFMKO-UHFFFAOYSA-N 2 2 312.417 2.633 50 0 DFAALP CC[N@H+]1CCN(C(=O)c2cccc(-c3[nH]cc[nH+]3)c2)CC1(C)C ZINC000067885030 425914135 /nfs/dbraw/zinc/91/41/35/425914135.db2.gz UMPZJTATGXFMKO-UHFFFAOYSA-N 2 2 312.417 2.633 50 0 DFAALP CCC[NH+]1CCC([NH+]2CCN(c3ccccc3F)CC2)CC1 ZINC000000182389 425542217 /nfs/dbraw/zinc/54/22/17/425542217.db2.gz RBMGQVPUHPJQLL-UHFFFAOYSA-N 2 2 305.441 2.822 50 0 DFAALP C[C@@H]1C[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C[C@H](C)O1 ZINC000000758091 425571358 /nfs/dbraw/zinc/57/13/58/425571358.db2.gz LDQTXXIPBVZWQI-CALCHBBNSA-N 2 2 302.462 2.803 50 0 DFAALP C[C@@H]1C[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C[C@H](C)O1 ZINC000000758091 425571362 /nfs/dbraw/zinc/57/13/62/425571362.db2.gz LDQTXXIPBVZWQI-CALCHBBNSA-N 2 2 302.462 2.803 50 0 DFAALP CCOc1ccccc1C[N@@H+]1CC[C@@](O)(C[NH+]2CCCCC2)C1 ZINC000077321313 426127685 /nfs/dbraw/zinc/12/76/85/426127685.db2.gz LFZJZWXPTJBYGX-LJQANCHMSA-N 2 2 318.461 2.508 50 0 DFAALP CCOc1ccccc1C[N@H+]1CC[C@@](O)(C[NH+]2CCCCC2)C1 ZINC000077321313 426127688 /nfs/dbraw/zinc/12/76/88/426127688.db2.gz LFZJZWXPTJBYGX-LJQANCHMSA-N 2 2 318.461 2.508 50 0 DFAALP Cc1cn(CCn2cc[nH+]c2-c2cccc([C@H](C)[NH+](C)C)c2)nn1 ZINC000077406641 426131600 /nfs/dbraw/zinc/13/16/00/426131600.db2.gz MXLYQGFHFFMNCR-HNNXBMFYSA-N 2 2 324.432 2.773 50 0 DFAALP C[N@H+](Cc1sc2ccccc2c1Cl)C[C@@]1(O)CC[NH2+]C1 ZINC000077453811 426134063 /nfs/dbraw/zinc/13/40/63/426134063.db2.gz WPGJQVPYUKBPOY-OAHLLOKOSA-N 2 2 310.850 2.711 50 0 DFAALP C[N@@H+](Cc1sc2ccccc2c1Cl)C[C@@]1(O)CC[NH2+]C1 ZINC000077453811 426134066 /nfs/dbraw/zinc/13/40/66/426134066.db2.gz WPGJQVPYUKBPOY-OAHLLOKOSA-N 2 2 310.850 2.711 50 0 DFAALP Cc1[nH+]ccn1CCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000089735684 426304818 /nfs/dbraw/zinc/30/48/18/426304818.db2.gz QTLIHIFUZYUFPL-UHFFFAOYSA-N 2 2 302.397 2.543 50 0 DFAALP CC1CCC([NH2+]C[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000089798951 426309527 /nfs/dbraw/zinc/30/95/27/426309527.db2.gz FAJGGXYGGWMBIT-FYOYPEGLSA-N 2 2 302.462 2.790 50 0 DFAALP CC1CCC([NH2+]C[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000089798951 426309529 /nfs/dbraw/zinc/30/95/29/426309529.db2.gz FAJGGXYGGWMBIT-FYOYPEGLSA-N 2 2 302.462 2.790 50 0 DFAALP CC1CCC([NH2+]C[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000089798954 426310039 /nfs/dbraw/zinc/31/00/39/426310039.db2.gz FAJGGXYGGWMBIT-JDGDGYACSA-N 2 2 302.462 2.790 50 0 DFAALP CC1CCC([NH2+]C[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000089798954 426310040 /nfs/dbraw/zinc/31/00/40/426310040.db2.gz FAJGGXYGGWMBIT-JDGDGYACSA-N 2 2 302.462 2.790 50 0 DFAALP Cc1ccc[nH+]c1N1CCC[C@@H](c2[nH+]ccn2CC[NH+](C)C)C1 ZINC000095375322 426369929 /nfs/dbraw/zinc/36/99/29/426369929.db2.gz CVUGDLZYMXWDGX-MRXNPFEDSA-N 3 2 313.449 2.532 50 0 DFAALP C[C@@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@H](C)[NH2+]1 ZINC000153262318 426378713 /nfs/dbraw/zinc/37/87/13/426378713.db2.gz UPWWZCMEZXBGCA-OKILXGFUSA-N 2 2 311.385 2.696 50 0 DFAALP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CO)o2)CC[N@@H+]1Cc1ccccc1 ZINC000096456803 426431595 /nfs/dbraw/zinc/43/15/95/426431595.db2.gz QHLLEJNLRGXVNV-NVXWUHKLSA-N 2 2 314.429 2.915 50 0 DFAALP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CO)o2)CC[N@H+]1Cc1ccccc1 ZINC000096456803 426431599 /nfs/dbraw/zinc/43/15/99/426431599.db2.gz QHLLEJNLRGXVNV-NVXWUHKLSA-N 2 2 314.429 2.915 50 0 DFAALP FC(F)CN1CCC([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000096478770 426433484 /nfs/dbraw/zinc/43/34/84/426433484.db2.gz YGHXUQKLUXIVQT-INIZCTEOSA-N 2 2 315.452 2.570 50 0 DFAALP FC(F)CN1CCC([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000096478770 426433486 /nfs/dbraw/zinc/43/34/86/426433486.db2.gz YGHXUQKLUXIVQT-INIZCTEOSA-N 2 2 315.452 2.570 50 0 DFAALP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3ccc(F)cc3F)C2)CC1 ZINC000097048484 426443382 /nfs/dbraw/zinc/44/33/82/426443382.db2.gz SCICXWHRRPXDCF-KRWDZBQOSA-N 2 2 323.431 2.567 50 0 DFAALP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3ccc(F)cc3F)C2)CC1 ZINC000097048484 426443385 /nfs/dbraw/zinc/44/33/85/426443385.db2.gz SCICXWHRRPXDCF-KRWDZBQOSA-N 2 2 323.431 2.567 50 0 DFAALP C[NH+](C)Cc1csc(C[NH+]2CCC(Cn3cc[nH+]c3)CC2)c1 ZINC000097631948 426470784 /nfs/dbraw/zinc/47/07/84/426470784.db2.gz DFKFQHDLHFAQNT-UHFFFAOYSA-N 3 2 318.490 2.918 50 0 DFAALP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cnc(-c2cccs2)nc1 ZINC000215421856 426552119 /nfs/dbraw/zinc/55/21/19/426552119.db2.gz ANLXNVVKDWRBJG-UHFFFAOYSA-N 2 2 313.430 2.842 50 0 DFAALP Cc1[nH+]ccn1CC[N@H+](C)Cc1cnc(-c2cccs2)nc1 ZINC000215421856 426552124 /nfs/dbraw/zinc/55/21/24/426552124.db2.gz ANLXNVVKDWRBJG-UHFFFAOYSA-N 2 2 313.430 2.842 50 0 DFAALP CCc1[nH+]ccn1CC[NH+]1CCN(c2ccc(F)cc2F)CC1 ZINC000244796094 426730063 /nfs/dbraw/zinc/73/00/63/426730063.db2.gz RSPUTEIWENGIJV-UHFFFAOYSA-N 2 2 320.387 2.546 50 0 DFAALP CCC[C@H](C)C(=O)Nc1ncc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)s1 ZINC000725272726 546414429 /nfs/dbraw/zinc/41/44/29/546414429.db2.gz UHQHIWVJGCUIDZ-SCRDCRAPSA-N 2 2 324.494 2.687 50 0 DFAALP CCC[C@H](C)C(=O)Nc1ncc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)s1 ZINC000725272726 546414436 /nfs/dbraw/zinc/41/44/36/546414436.db2.gz UHQHIWVJGCUIDZ-SCRDCRAPSA-N 2 2 324.494 2.687 50 0 DFAALP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328623915 231253442 /nfs/dbraw/zinc/25/34/42/231253442.db2.gz CCYHFIMCUVAXHM-RDJZCZTQSA-N 2 2 316.474 2.971 50 0 DFAALP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328623915 231253445 /nfs/dbraw/zinc/25/34/45/231253445.db2.gz CCYHFIMCUVAXHM-RDJZCZTQSA-N 2 2 316.474 2.971 50 0 DFAALP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328623915 231253448 /nfs/dbraw/zinc/25/34/48/231253448.db2.gz CCYHFIMCUVAXHM-RDJZCZTQSA-N 2 2 316.474 2.971 50 0 DFAALP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328623915 231253451 /nfs/dbraw/zinc/25/34/51/231253451.db2.gz CCYHFIMCUVAXHM-RDJZCZTQSA-N 2 2 316.474 2.971 50 0 DFAALP c1cn(CC2CC2)c(C2CC[NH+](CC[C@@H]3CCOC3)CC2)[nH+]1 ZINC000082109643 192358417 /nfs/dbraw/zinc/35/84/17/192358417.db2.gz XCFAPSKTUUNAKX-MRXNPFEDSA-N 2 2 303.450 2.899 50 0 DFAALP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccnc1 ZINC000092739805 185337755 /nfs/dbraw/zinc/33/77/55/185337755.db2.gz APPMMMYUCNLCOA-MRXNPFEDSA-N 2 2 311.429 2.765 50 0 DFAALP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(N2CCCC2=O)cc1 ZINC000095419103 185359667 /nfs/dbraw/zinc/35/96/67/185359667.db2.gz LHXZNJUFMPGCOB-OAHLLOKOSA-N 2 2 312.417 2.751 50 0 DFAALP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(N2CCCC2=O)cc1 ZINC000095419102 185359830 /nfs/dbraw/zinc/35/98/30/185359830.db2.gz LHXZNJUFMPGCOB-HNNXBMFYSA-N 2 2 312.417 2.751 50 0 DFAALP COc1ccc([C@@H]([NH2+]C2CC[NH+](C)CC2)c2ccncc2)cc1 ZINC000584903403 398430620 /nfs/dbraw/zinc/43/06/20/398430620.db2.gz DDJREWQXIRVVPA-LJQANCHMSA-N 2 2 311.429 2.863 50 0 DFAALP CSc1cccc(C[N@H+](C)Cc2cc3n(n2)CCC[NH2+]C3)c1 ZINC000072164183 191063434 /nfs/dbraw/zinc/06/34/34/191063434.db2.gz HWDLZJAMORUEQD-UHFFFAOYSA-N 2 2 316.474 2.730 50 0 DFAALP CSc1cccc(C[N@@H+](C)Cc2cc3n(n2)CCC[NH2+]C3)c1 ZINC000072164183 191063437 /nfs/dbraw/zinc/06/34/37/191063437.db2.gz HWDLZJAMORUEQD-UHFFFAOYSA-N 2 2 316.474 2.730 50 0 DFAALP O[C@H](C[NH2+][C@H]1CCc2ccccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000253357391 186301195 /nfs/dbraw/zinc/30/11/95/186301195.db2.gz AAWSSEKUWIPPTL-CTNGQTDRSA-N 2 2 322.452 2.683 50 0 DFAALP O[C@H](C[NH2+][C@H]1CCc2ccccc21)C[N@H+]1CCc2ccccc2C1 ZINC000253357391 186301196 /nfs/dbraw/zinc/30/11/96/186301196.db2.gz AAWSSEKUWIPPTL-CTNGQTDRSA-N 2 2 322.452 2.683 50 0 DFAALP C[C@@H]1CC[N@H+](Cc2ncnn2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000253397002 186305897 /nfs/dbraw/zinc/30/58/97/186305897.db2.gz SPGRBYHMIVNJFD-WBVHZDCISA-N 2 2 322.416 2.547 50 0 DFAALP C[C@@H]1CC[N@@H+](Cc2ncnn2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000253397002 186305899 /nfs/dbraw/zinc/30/58/99/186305899.db2.gz SPGRBYHMIVNJFD-WBVHZDCISA-N 2 2 322.416 2.547 50 0 DFAALP CC(C)COc1cccc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000072463618 191174271 /nfs/dbraw/zinc/17/42/71/191174271.db2.gz WIEVBCSCBFUNAN-LJQANCHMSA-N 2 2 320.477 2.610 50 0 DFAALP CC(C)COc1cccc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000072463618 191174273 /nfs/dbraw/zinc/17/42/73/191174273.db2.gz WIEVBCSCBFUNAN-LJQANCHMSA-N 2 2 320.477 2.610 50 0 DFAALP c1cc2c(nc[nH+]c2N2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)[nH]1 ZINC000091444784 193056762 /nfs/dbraw/zinc/05/67/62/193056762.db2.gz FDRASUMYFNPANC-HUUCEWRRSA-N 2 2 311.433 2.659 50 0 DFAALP c1cc2c(nc[nH+]c2N2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)[nH]1 ZINC000091444784 193056764 /nfs/dbraw/zinc/05/67/64/193056764.db2.gz FDRASUMYFNPANC-HUUCEWRRSA-N 2 2 311.433 2.659 50 0 DFAALP Cc1cccc(N2CCC([NH+]3C[C@@H]4CC[C@H](C3)[N@H+](C)C4)CC2)c1 ZINC000091896487 193124287 /nfs/dbraw/zinc/12/42/87/193124287.db2.gz XTPJZHGKGRPDRI-YLJYHZDGSA-N 2 2 313.489 2.990 50 0 DFAALP Cc1cccc(N2CCC([NH+]3C[C@@H]4CC[C@H](C3)[N@@H+](C)C4)CC2)c1 ZINC000091896487 193124288 /nfs/dbraw/zinc/12/42/88/193124288.db2.gz XTPJZHGKGRPDRI-YLJYHZDGSA-N 2 2 313.489 2.990 50 0 DFAALP Cc1cccc(N2CCC([N@H+]3C[C@@H]4CC[C@H](C3)[NH+](C)C4)CC2)c1 ZINC000091896487 193124289 /nfs/dbraw/zinc/12/42/89/193124289.db2.gz XTPJZHGKGRPDRI-YLJYHZDGSA-N 2 2 313.489 2.990 50 0 DFAALP Cc1cccc(N2CCC([N@@H+]3C[C@@H]4CC[C@H](C3)[NH+](C)C4)CC2)c1 ZINC000091896487 193124290 /nfs/dbraw/zinc/12/42/90/193124290.db2.gz XTPJZHGKGRPDRI-YLJYHZDGSA-N 2 2 313.489 2.990 50 0 DFAALP CCCn1nc(C[NH2+]CCCn2cc[nH+]c2)c(-c2ccccc2)n1 ZINC000261492185 203071775 /nfs/dbraw/zinc/07/17/75/203071775.db2.gz TYGOZKDEVFCNRQ-UHFFFAOYSA-N 2 2 324.432 2.732 50 0 DFAALP Cn1cc[nH+]c1CN1CCC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000019850556 182157210 /nfs/dbraw/zinc/15/72/10/182157210.db2.gz YCFGJUWCHRSHJE-GOSISDBHSA-N 2 2 312.461 2.559 50 0 DFAALP Cn1cc[nH+]c1CN1CCC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000019850556 182157214 /nfs/dbraw/zinc/15/72/14/182157214.db2.gz YCFGJUWCHRSHJE-GOSISDBHSA-N 2 2 312.461 2.559 50 0 DFAALP Cc1[nH+]cc(CN[C@@H]2CCC[N@H+](CC3CCCCC3)C2)n1C ZINC000022914184 182340594 /nfs/dbraw/zinc/34/05/94/182340594.db2.gz RLAIRVAIJBCDDW-QGZVFWFLSA-N 2 2 304.482 2.863 50 0 DFAALP Cc1[nH+]cc(CN[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)n1C ZINC000022914184 182340597 /nfs/dbraw/zinc/34/05/97/182340597.db2.gz RLAIRVAIJBCDDW-QGZVFWFLSA-N 2 2 304.482 2.863 50 0 DFAALP Cc1cc(CN2CCC[C@@H]([N@@H+](C)CCC[NH+](C)C)C2)oc1C ZINC000023374234 182358126 /nfs/dbraw/zinc/35/81/26/182358126.db2.gz XCBHJFWHFDHHPW-QGZVFWFLSA-N 2 2 307.482 2.744 50 0 DFAALP Cc1cc(CN2CCC[C@@H]([N@H+](C)CCC[NH+](C)C)C2)oc1C ZINC000023374234 182358129 /nfs/dbraw/zinc/35/81/29/182358129.db2.gz XCBHJFWHFDHHPW-QGZVFWFLSA-N 2 2 307.482 2.744 50 0 DFAALP COc1ccc2[nH+]c(NCCC[NH+]3CCOCC3)cc(C)c2c1 ZINC000023634767 182365554 /nfs/dbraw/zinc/36/55/54/182365554.db2.gz GSRKPGAHXPDZCZ-UHFFFAOYSA-N 2 2 315.417 2.686 50 0 DFAALP COc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1OC(C)C ZINC000040719415 183123419 /nfs/dbraw/zinc/12/34/19/183123419.db2.gz MBLYXQHPRBHKQR-UHFFFAOYSA-N 2 2 303.406 2.859 50 0 DFAALP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1OC ZINC000106366987 194202876 /nfs/dbraw/zinc/20/28/76/194202876.db2.gz NTAYWEYXRUGVHP-GFCCVEGCSA-N 2 2 324.852 2.931 50 0 DFAALP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(Cl)c1OC ZINC000106366987 194202879 /nfs/dbraw/zinc/20/28/79/194202879.db2.gz NTAYWEYXRUGVHP-GFCCVEGCSA-N 2 2 324.852 2.931 50 0 DFAALP [NH2+]=C(NCC1([NH+]2CCOCC2)CCCCC1)Nc1ccccc1 ZINC000058307591 184103541 /nfs/dbraw/zinc/10/35/41/184103541.db2.gz MKPPLCYCXSTTJM-UHFFFAOYSA-N 2 2 316.449 2.658 50 0 DFAALP CC[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1[nH]cc(C)[nH+]1 ZINC000426368265 257253038 /nfs/dbraw/zinc/25/30/38/257253038.db2.gz JJQCTTMFTXVHGA-HNNXBMFYSA-N 2 2 300.406 2.661 50 0 DFAALP C[NH+](C)C[C@@]1(CO)CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000216104782 542875403 /nfs/dbraw/zinc/87/54/03/542875403.db2.gz HWXIPISXONOAAA-SFHVURJKSA-N 2 2 302.418 2.569 50 0 DFAALP C[NH+](C)C[C@@]1(CO)CCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000216104782 542875408 /nfs/dbraw/zinc/87/54/08/542875408.db2.gz HWXIPISXONOAAA-SFHVURJKSA-N 2 2 302.418 2.569 50 0 DFAALP C[N@@H+](Cc1cnc(N)s1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000261980317 146315116 /nfs/dbraw/zinc/31/51/16/146315116.db2.gz JCFYKGWQXSLTKZ-HNNXBMFYSA-N 2 2 316.474 2.679 50 0 DFAALP C[N@H+](Cc1cnc(N)s1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000261980317 146315117 /nfs/dbraw/zinc/31/51/17/146315117.db2.gz JCFYKGWQXSLTKZ-HNNXBMFYSA-N 2 2 316.474 2.679 50 0 DFAALP C[NH+](Cc1cnc(N)s1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261980317 146315118 /nfs/dbraw/zinc/31/51/18/146315118.db2.gz JCFYKGWQXSLTKZ-HNNXBMFYSA-N 2 2 316.474 2.679 50 0 DFAALP C[NH+](Cc1cnc(N)s1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261980317 146315119 /nfs/dbraw/zinc/31/51/19/146315119.db2.gz JCFYKGWQXSLTKZ-HNNXBMFYSA-N 2 2 316.474 2.679 50 0 DFAALP Cc1ccc2c(c1)[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@@H](C)C2 ZINC000180543692 292351810 /nfs/dbraw/zinc/35/18/10/292351810.db2.gz DACUVMXRDZIFPW-YJBOKZPZSA-N 2 2 302.462 2.929 50 0 DFAALP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000184734888 158037193 /nfs/dbraw/zinc/03/71/93/158037193.db2.gz FVPVOMMCHYWOKA-CQSZACIVSA-N 2 2 309.417 2.751 50 0 DFAALP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000184734888 158037195 /nfs/dbraw/zinc/03/71/95/158037195.db2.gz FVPVOMMCHYWOKA-CQSZACIVSA-N 2 2 309.417 2.751 50 0 DFAALP c1coc(CN2CCC([N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)CC2)c1 ZINC000670472325 544045451 /nfs/dbraw/zinc/04/54/51/544045451.db2.gz FBGDGJOCMOJRHT-OAHLLOKOSA-N 2 2 314.433 2.847 50 0 DFAALP c1coc(CN2CCC([N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)CC2)c1 ZINC000670472325 544045455 /nfs/dbraw/zinc/04/54/55/544045455.db2.gz FBGDGJOCMOJRHT-OAHLLOKOSA-N 2 2 314.433 2.847 50 0 DFAALP Cc1cc(C2=C[C@@H]([NH3+])CN(C(=O)OC(C)(C)C)C2)c[nH+]c1C ZINC000675077570 544283334 /nfs/dbraw/zinc/28/33/34/544283334.db2.gz GCXRMOZVHXIHTP-OAHLLOKOSA-N 2 2 303.406 2.660 50 0 DFAALP C[NH+](C)C[C@@H]1[C@H]2C[N@@H+](Cc3c(Cl)ccc(O)c3Cl)C[C@H]21 ZINC000102526774 425922602 /nfs/dbraw/zinc/92/26/02/425922602.db2.gz HZLSGSZEXDGVPP-RTCCRHLQSA-N 2 2 315.244 2.938 50 0 DFAALP C[NH+](C)C[C@@H]1[C@H]2C[N@H+](Cc3c(Cl)ccc(O)c3Cl)C[C@H]21 ZINC000102526774 425922604 /nfs/dbraw/zinc/92/26/04/425922604.db2.gz HZLSGSZEXDGVPP-RTCCRHLQSA-N 2 2 315.244 2.938 50 0 DFAALP C[NH+](C)CCOC(=O)c1ccc(N2Cc3ccccc3C2=[NH2+])cc1 ZINC000003111509 425610495 /nfs/dbraw/zinc/61/04/95/425610495.db2.gz WUGJVWZMPZCAKQ-UHFFFAOYSA-N 2 2 323.396 2.751 50 0 DFAALP COc1ccc(OC)c(C[NH2+]CCc2cn3ccccc3[nH+]2)c1 ZINC000030661432 425832556 /nfs/dbraw/zinc/83/25/56/425832556.db2.gz IBWYGMNUTZDDDM-UHFFFAOYSA-N 2 2 311.385 2.684 50 0 DFAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Br)cc1F ZINC000035275110 425843799 /nfs/dbraw/zinc/84/37/99/425843799.db2.gz AVTOKKIBCUALNR-JTQLQIEISA-N 2 2 312.186 2.963 50 0 DFAALP Cn1nccc1[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000069487136 425941944 /nfs/dbraw/zinc/94/19/44/425941944.db2.gz OQXSKVUDQDGMLM-QGZVFWFLSA-N 2 2 321.428 2.985 50 0 DFAALP Cn1nccc1[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000069487136 425941947 /nfs/dbraw/zinc/94/19/47/425941947.db2.gz OQXSKVUDQDGMLM-QGZVFWFLSA-N 2 2 321.428 2.985 50 0 DFAALP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1nc3ccccc3n1C)CCC2 ZINC000089702156 426303367 /nfs/dbraw/zinc/30/33/67/426303367.db2.gz RKMKYTOFNRVLDT-AWEZNQCLSA-N 2 2 309.417 2.745 50 0 DFAALP Cn1cc(C[NH2+]CCc2[nH+]ccn2C)c(C2CCCCC2)n1 ZINC000096010130 426387950 /nfs/dbraw/zinc/38/79/50/426387950.db2.gz PRNOLEYYNXZRLD-UHFFFAOYSA-N 2 2 301.438 2.534 50 0 DFAALP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nnc(C4CC4)o3)C2)[nH+]1 ZINC000097200555 426457493 /nfs/dbraw/zinc/45/74/93/426457493.db2.gz HEJSGSQUZBFMSE-ZDUSSCGKSA-N 2 2 313.405 2.584 50 0 DFAALP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nnc(C4CC4)o3)C2)[nH+]1 ZINC000097200555 426457496 /nfs/dbraw/zinc/45/74/96/426457496.db2.gz HEJSGSQUZBFMSE-ZDUSSCGKSA-N 2 2 313.405 2.584 50 0 DFAALP O[C@@H](C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccc(F)cc1 ZINC000097200645 426457774 /nfs/dbraw/zinc/45/77/74/426457774.db2.gz KNENPSDASRINBO-YOEHRIQHSA-N 2 2 315.392 2.688 50 0 DFAALP O[C@@H](C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccc(F)cc1 ZINC000097200645 426457779 /nfs/dbraw/zinc/45/77/79/426457779.db2.gz KNENPSDASRINBO-YOEHRIQHSA-N 2 2 315.392 2.688 50 0 DFAALP CN(Cc1ccc(C[NH+]2CCCC2)s1)Cc1[nH+]ccn1C ZINC000097213103 426458861 /nfs/dbraw/zinc/45/88/61/426458861.db2.gz GDIBGZMABSXHOC-UHFFFAOYSA-N 2 2 304.463 2.709 50 0 DFAALP C[NH+](C)Cc1csc(C[N@@H+]2CCO[C@H](c3cccnc3)C2)c1 ZINC000097766342 426474057 /nfs/dbraw/zinc/47/40/57/426474057.db2.gz CPFVSBGYLBANKJ-KRWDZBQOSA-N 2 2 317.458 2.778 50 0 DFAALP C[NH+](C)Cc1csc(C[N@H+]2CCO[C@H](c3cccnc3)C2)c1 ZINC000097766342 426474058 /nfs/dbraw/zinc/47/40/58/426474058.db2.gz CPFVSBGYLBANKJ-KRWDZBQOSA-N 2 2 317.458 2.778 50 0 DFAALP CC(=O)c1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000215607497 426554299 /nfs/dbraw/zinc/55/42/99/426554299.db2.gz HIVXLOFXUXVDDN-UHFFFAOYSA-N 2 2 301.415 2.668 50 0 DFAALP C[C@@H]1CCC[N@H+](CCOc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000215971981 426555646 /nfs/dbraw/zinc/55/56/46/426555646.db2.gz PAJWZQMQUDFUJX-QGZVFWFLSA-N 2 2 318.461 2.630 50 0 DFAALP C[C@@H]1CCC[N@@H+](CCOc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000215971981 426555650 /nfs/dbraw/zinc/55/56/50/426555650.db2.gz PAJWZQMQUDFUJX-QGZVFWFLSA-N 2 2 318.461 2.630 50 0 DFAALP CCn1cc[nH+]c1CN1CCC[N@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000216382724 426560034 /nfs/dbraw/zinc/56/00/34/426560034.db2.gz CAHRGWQTMJGCLL-QGZVFWFLSA-N 2 2 304.482 2.845 50 0 DFAALP CCn1cc[nH+]c1CN1CCC[N@@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000216382724 426560040 /nfs/dbraw/zinc/56/00/40/426560040.db2.gz CAHRGWQTMJGCLL-QGZVFWFLSA-N 2 2 304.482 2.845 50 0 DFAALP Fc1ccc([C@@H]2C[N@H+](CCn3cc[nH+]c3)CCO2)c(Cl)c1 ZINC000187861954 426699253 /nfs/dbraw/zinc/69/92/53/426699253.db2.gz RXTKMEUYPUTNRB-HNNXBMFYSA-N 2 2 309.772 2.749 50 0 DFAALP Fc1ccc([C@@H]2C[N@@H+](CCn3cc[nH+]c3)CCO2)c(Cl)c1 ZINC000187861954 426699255 /nfs/dbraw/zinc/69/92/55/426699255.db2.gz RXTKMEUYPUTNRB-HNNXBMFYSA-N 2 2 309.772 2.749 50 0 DFAALP Cc1ncccc1C[N@@H+]1CCC[C@@H](Nc2ccc(N)[nH+]c2)CC1 ZINC000328626259 426984908 /nfs/dbraw/zinc/98/49/08/426984908.db2.gz DYLVWHHEMRDIKJ-MRXNPFEDSA-N 2 2 311.433 2.834 50 0 DFAALP Cc1ncccc1C[N@H+]1CCC[C@@H](Nc2ccc(N)[nH+]c2)CC1 ZINC000328626259 426984915 /nfs/dbraw/zinc/98/49/15/426984915.db2.gz DYLVWHHEMRDIKJ-MRXNPFEDSA-N 2 2 311.433 2.834 50 0 DFAALP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)c2nc(C)cc(=O)[nH]2)C1 ZINC000248724433 427034830 /nfs/dbraw/zinc/03/48/30/427034830.db2.gz HOPJZPWRIFIZAS-KGLIPLIRSA-N 2 2 315.421 2.648 50 0 DFAALP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)c2nc(C)cc(=O)[nH]2)C1 ZINC000248724433 427034839 /nfs/dbraw/zinc/03/48/39/427034839.db2.gz HOPJZPWRIFIZAS-KGLIPLIRSA-N 2 2 315.421 2.648 50 0 DFAALP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H]1c1ccc[nH]1 ZINC000252476742 427175305 /nfs/dbraw/zinc/17/53/05/427175305.db2.gz APISCBGGXRRKCK-MJGOQNOKSA-N 2 2 313.445 2.645 50 0 DFAALP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H]1c1ccc[nH]1 ZINC000252476742 427175312 /nfs/dbraw/zinc/17/53/12/427175312.db2.gz APISCBGGXRRKCK-MJGOQNOKSA-N 2 2 313.445 2.645 50 0 DFAALP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000252476742 427175320 /nfs/dbraw/zinc/17/53/20/427175320.db2.gz APISCBGGXRRKCK-MJGOQNOKSA-N 2 2 313.445 2.645 50 0 DFAALP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000252476742 427175325 /nfs/dbraw/zinc/17/53/25/427175325.db2.gz APISCBGGXRRKCK-MJGOQNOKSA-N 2 2 313.445 2.645 50 0 DFAALP Cc1cccc(Cl)c1OCC[N@H+]1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000534590002 334293877 /nfs/dbraw/zinc/29/38/77/334293877.db2.gz RTIGCIYLDHRDBF-SDSIWUNFSA-N 2 2 306.837 2.709 50 0 DFAALP Cc1cccc(Cl)c1OCC[N@@H+]1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000534590002 334293878 /nfs/dbraw/zinc/29/38/78/334293878.db2.gz RTIGCIYLDHRDBF-SDSIWUNFSA-N 2 2 306.837 2.709 50 0 DFAALP CC(C)[C@H](C)C(=O)Nc1ncc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)s1 ZINC000725271485 546414616 /nfs/dbraw/zinc/41/46/16/546414616.db2.gz GNJLZCSDVFCNEN-SGMGOOAPSA-N 2 2 324.494 2.543 50 0 DFAALP CC(C)[C@H](C)C(=O)Nc1ncc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)s1 ZINC000725271485 546414619 /nfs/dbraw/zinc/41/46/19/546414619.db2.gz GNJLZCSDVFCNEN-SGMGOOAPSA-N 2 2 324.494 2.543 50 0 DFAALP COCCn1cc[nH+]c1[C@@H]1CCCN(c2cc(C)cc[nH+]2)C1 ZINC000095498673 185374304 /nfs/dbraw/zinc/37/43/04/185374304.db2.gz SBWAXWKAJPDGSA-OAHLLOKOSA-N 2 2 300.406 2.617 50 0 DFAALP CC[C@H]1CN(c2ccc(Cn3cc[nH+]c3)cn2)CC[N@@H+]1C(C)C ZINC000082167306 185174510 /nfs/dbraw/zinc/17/45/10/185174510.db2.gz LVWZAHBKKQISSR-KRWDZBQOSA-N 2 2 313.449 2.635 50 0 DFAALP CC[C@H]1CN(c2ccc(Cn3cc[nH+]c3)cn2)CC[N@H+]1C(C)C ZINC000082167306 185174511 /nfs/dbraw/zinc/17/45/11/185174511.db2.gz LVWZAHBKKQISSR-KRWDZBQOSA-N 2 2 313.449 2.635 50 0 DFAALP COc1cccc(C[NH2+]C2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000225636590 398350182 /nfs/dbraw/zinc/35/01/82/398350182.db2.gz LLQHTVIESVTCHX-UHFFFAOYSA-N 2 2 317.458 2.906 50 0 DFAALP CCCC[NH+]1CCC(c2nnc(C[NH+]3CCCC3)n2CC)CC1 ZINC000082098359 192354478 /nfs/dbraw/zinc/35/44/78/192354478.db2.gz JJNKAHNBFSCJTE-UHFFFAOYSA-N 2 2 319.497 2.873 50 0 DFAALP OCc1cc[nH+]c(N2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)c1 ZINC000082148521 192362044 /nfs/dbraw/zinc/36/20/44/192362044.db2.gz ISTONMHTSAPNTE-INIZCTEOSA-N 2 2 312.417 2.564 50 0 DFAALP C[N@H+](Cc1cnc2ccccn12)C1CCN(c2cccc[nH+]2)CC1 ZINC000095413174 185357914 /nfs/dbraw/zinc/35/79/14/185357914.db2.gz NRJYXJPFQQXZEM-UHFFFAOYSA-N 2 2 321.428 2.830 50 0 DFAALP C[N@@H+](Cc1cnc2ccccn12)C1CCN(c2cccc[nH+]2)CC1 ZINC000095413174 185357915 /nfs/dbraw/zinc/35/79/15/185357915.db2.gz NRJYXJPFQQXZEM-UHFFFAOYSA-N 2 2 321.428 2.830 50 0 DFAALP c1ccc2c(c1)C[C@@H](C[NH2+]C1CC[NH+](Cc3cccnc3)CC1)O2 ZINC000095419698 185360080 /nfs/dbraw/zinc/36/00/80/185360080.db2.gz UAPHBBHOSNAVCF-IBGZPJMESA-N 2 2 323.440 2.639 50 0 DFAALP COCC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccc(OC)c(F)c2)C1 ZINC000095422067 185360690 /nfs/dbraw/zinc/36/06/90/185360690.db2.gz MLFGBMHNCTZXJG-UKRRQHHQSA-N 2 2 310.413 2.596 50 0 DFAALP COCC[N@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccc(OC)c(F)c2)C1 ZINC000095422067 185360691 /nfs/dbraw/zinc/36/06/91/185360691.db2.gz MLFGBMHNCTZXJG-UKRRQHHQSA-N 2 2 310.413 2.596 50 0 DFAALP COCC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(OC)c(F)c2)C1 ZINC000095422066 185360936 /nfs/dbraw/zinc/36/09/36/185360936.db2.gz MLFGBMHNCTZXJG-DZGCQCFKSA-N 2 2 310.413 2.596 50 0 DFAALP COCC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(OC)c(F)c2)C1 ZINC000095422066 185360937 /nfs/dbraw/zinc/36/09/37/185360937.db2.gz MLFGBMHNCTZXJG-DZGCQCFKSA-N 2 2 310.413 2.596 50 0 DFAALP CC[C@@H](NC(=O)N(C)CC[NH+]1CCCCCC1)c1[nH]cc(C)[nH+]1 ZINC000584892477 398427938 /nfs/dbraw/zinc/42/79/38/398427938.db2.gz CLDQYEOEXOQONV-OAHLLOKOSA-N 2 2 321.469 2.687 50 0 DFAALP OC[C@H]([NH2+]C1CC[NH+](Cc2ccco2)CC1)c1ccc(F)cc1 ZINC000584902614 398430948 /nfs/dbraw/zinc/43/09/48/398430948.db2.gz VFWSMTCHXHXGLN-SFHVURJKSA-N 2 2 318.392 2.706 50 0 DFAALP c1csc(C[N@H+](Cc2cncnc2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000328632293 398566992 /nfs/dbraw/zinc/56/69/92/398566992.db2.gz LIGRTUPDLQEFHJ-OAHLLOKOSA-N 2 2 302.447 2.682 50 0 DFAALP c1csc(C[N@@H+](Cc2cncnc2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000328632293 398566995 /nfs/dbraw/zinc/56/69/95/398566995.db2.gz LIGRTUPDLQEFHJ-OAHLLOKOSA-N 2 2 302.447 2.682 50 0 DFAALP Nc1cc(N[C@H]2CCC[N@H+](CCCc3ccccc3)C2)nc[nH+]1 ZINC000072473340 191175733 /nfs/dbraw/zinc/17/57/33/191175733.db2.gz SDLZOFXJCMMPIX-INIZCTEOSA-N 2 2 311.433 2.568 50 0 DFAALP Nc1cc(N[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)nc[nH+]1 ZINC000072473340 191175736 /nfs/dbraw/zinc/17/57/36/191175736.db2.gz SDLZOFXJCMMPIX-INIZCTEOSA-N 2 2 311.433 2.568 50 0 DFAALP CCCCn1cc[nH+]c1C1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000091440194 193055949 /nfs/dbraw/zinc/05/59/49/193055949.db2.gz KHDMSRWPAFRMAN-JKSUJKDBSA-N 2 2 318.465 2.517 50 0 DFAALP Cc1nc(N2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)c(C)c(C)[nH+]1 ZINC000091974059 193134482 /nfs/dbraw/zinc/13/44/82/193134482.db2.gz WTIPRKJBYCBQQQ-IAGOWNOFSA-N 2 2 300.450 2.712 50 0 DFAALP Cc1nc(N2C[C@H]3CC[C@H](C[N@@H+]3CC3CC3)C2)c(C)c(C)[nH+]1 ZINC000091974059 193134484 /nfs/dbraw/zinc/13/44/84/193134484.db2.gz WTIPRKJBYCBQQQ-IAGOWNOFSA-N 2 2 300.450 2.712 50 0 DFAALP Cc1cccn2cc(CN3C[C@H]4CC[C@H](C[N@H+]4CC4CC4)C3)[nH+]c12 ZINC000092027929 193143480 /nfs/dbraw/zinc/14/34/80/193143480.db2.gz ZMCFDXSYXCDGEC-PKOBYXMFSA-N 2 2 324.472 2.949 50 0 DFAALP Cc1cccn2cc(CN3C[C@H]4CC[C@H](C[N@@H+]4CC4CC4)C3)[nH+]c12 ZINC000092027929 193143481 /nfs/dbraw/zinc/14/34/81/193143481.db2.gz ZMCFDXSYXCDGEC-PKOBYXMFSA-N 2 2 324.472 2.949 50 0 DFAALP CCCn1cc[nH+]c1CNC(=O)[C@H](c1cccc(C)c1)[NH+](C)C ZINC000092037452 193144142 /nfs/dbraw/zinc/14/41/42/193144142.db2.gz FHBFYHBZCPFWOD-KRWDZBQOSA-N 2 2 314.433 2.521 50 0 DFAALP Cc1nn(C)cc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336745 193233255 /nfs/dbraw/zinc/23/32/55/193233255.db2.gz MWMSWJFWJLSAAY-GOSISDBHSA-N 2 2 312.461 2.682 50 0 DFAALP Cc1nn(C)cc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336745 193233257 /nfs/dbraw/zinc/23/32/57/193233257.db2.gz MWMSWJFWJLSAAY-GOSISDBHSA-N 2 2 312.461 2.682 50 0 DFAALP Cc1nn(C)cc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336745 193233258 /nfs/dbraw/zinc/23/32/58/193233258.db2.gz MWMSWJFWJLSAAY-GOSISDBHSA-N 2 2 312.461 2.682 50 0 DFAALP Cc1nn(C)cc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336745 193233260 /nfs/dbraw/zinc/23/32/60/193233260.db2.gz MWMSWJFWJLSAAY-GOSISDBHSA-N 2 2 312.461 2.682 50 0 DFAALP COc1ccc(C([NH3+])(c2ccc(OC)cc2)[C@@H]([NH3+])C(C)C)cc1 ZINC000022029158 182305133 /nfs/dbraw/zinc/30/51/33/182305133.db2.gz WDYGPMAMBXJESZ-SFHVURJKSA-N 2 2 314.429 2.889 50 0 DFAALP Cc1ccc(NC(=O)[C@@H](C)[NH2+]Cc2c[nH+]cn2CC(C)C)cc1 ZINC000065408658 184339315 /nfs/dbraw/zinc/33/93/15/184339315.db2.gz MHPZXXORAPHQPS-OAHLLOKOSA-N 2 2 314.433 2.964 50 0 DFAALP [NH3+]C[C@@H]1CCCCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000269222379 207342497 /nfs/dbraw/zinc/34/24/97/207342497.db2.gz SXNDEQVCFDNAMS-HNNXBMFYSA-N 2 2 311.385 2.827 50 0 DFAALP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C[N@@H+]1C ZINC000252477811 257258458 /nfs/dbraw/zinc/25/84/58/257258458.db2.gz VUVCCKAZLLALIM-QQOZWVEPSA-N 2 2 323.481 2.599 50 0 DFAALP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C[N@H+]1C ZINC000252477811 257258459 /nfs/dbraw/zinc/25/84/59/257258459.db2.gz VUVCCKAZLLALIM-QQOZWVEPSA-N 2 2 323.481 2.599 50 0 DFAALP C[NH2+][C@@H]1CCCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000132910493 196295856 /nfs/dbraw/zinc/29/58/56/196295856.db2.gz ABYPRJQYLBLSDF-OAHLLOKOSA-N 2 2 311.385 2.698 50 0 DFAALP COCc1ccc(C[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)o1 ZINC000299753615 229398973 /nfs/dbraw/zinc/39/89/73/229398973.db2.gz YUKUTNUDVXLQHH-AWEZNQCLSA-N 2 2 315.417 2.948 50 0 DFAALP COCc1ccc(C[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)o1 ZINC000299753615 229398976 /nfs/dbraw/zinc/39/89/76/229398976.db2.gz YUKUTNUDVXLQHH-AWEZNQCLSA-N 2 2 315.417 2.948 50 0 DFAALP CCn1c[nH+]cc1CNc1cc(C)[nH+]c(N2CCCCC2)n1 ZINC000065505336 425902973 /nfs/dbraw/zinc/90/29/73/425902973.db2.gz KAGFLZPTSMHZTK-UHFFFAOYSA-N 2 2 300.410 2.604 50 0 DFAALP CCc1[nH]c(C[N@H+](C)C[C@H]2COc3ccccc3O2)c(C)[nH+]1 ZINC000067457926 425910872 /nfs/dbraw/zinc/91/08/72/425910872.db2.gz HFFDLPFDVJRWAE-ZDUSSCGKSA-N 2 2 301.390 2.552 50 0 DFAALP CCc1[nH]c(C[N@@H+](C)C[C@H]2COc3ccccc3O2)c(C)[nH+]1 ZINC000067457926 425910873 /nfs/dbraw/zinc/91/08/73/425910873.db2.gz HFFDLPFDVJRWAE-ZDUSSCGKSA-N 2 2 301.390 2.552 50 0 DFAALP Cc1cc(C)c(CNc2cc([C@@H]3CCC[NH2+]C3)nc(C)n2)c[nH+]1 ZINC000067654704 425912129 /nfs/dbraw/zinc/91/21/29/425912129.db2.gz LUEUNIFPYILNIM-OAHLLOKOSA-N 2 2 311.433 2.876 50 0 DFAALP O=C(Nc1c[nH+]c2n1CCCC2)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000067982008 425915433 /nfs/dbraw/zinc/91/54/33/425915433.db2.gz BEKGYOMYCXJBSF-INIZCTEOSA-N 2 2 324.428 2.823 50 0 DFAALP O=C(Nc1c[nH+]c2n1CCCC2)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000067982008 425915434 /nfs/dbraw/zinc/91/54/34/425915434.db2.gz BEKGYOMYCXJBSF-INIZCTEOSA-N 2 2 324.428 2.823 50 0 DFAALP Cc1cccc2[nH+]c(C3CC[NH+](C[C@H]4[C@@H]5C[NH2+]C[C@H]45)CC3)[nH]c21 ZINC000102501497 425921805 /nfs/dbraw/zinc/92/18/05/425921805.db2.gz JYQLYFWSOQTODR-ZSHCYNCHSA-N 3 2 310.445 2.516 50 0 DFAALP Cc1cccc2[nH]c(C3CC[NH+](C[C@H]4[C@@H]5C[NH2+]C[C@H]45)CC3)[nH+]c21 ZINC000102501497 425921808 /nfs/dbraw/zinc/92/18/08/425921808.db2.gz JYQLYFWSOQTODR-ZSHCYNCHSA-N 3 2 310.445 2.516 50 0 DFAALP C[NH+](C)[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cnc(N3CCCC3)s1)C2 ZINC000102869160 425930606 /nfs/dbraw/zinc/93/06/06/425930606.db2.gz YZNCXOSMCISOMW-FOLVSLTJSA-N 2 2 320.506 2.515 50 0 DFAALP C[NH+](C)[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cnc(N3CCCC3)s1)C2 ZINC000102869160 425930609 /nfs/dbraw/zinc/93/06/09/425930609.db2.gz YZNCXOSMCISOMW-FOLVSLTJSA-N 2 2 320.506 2.515 50 0 DFAALP C[N@@H+]1CCC[C@](O)(C[NH+](Cc2ccco2)Cc2cccs2)C1 ZINC000041124044 425851560 /nfs/dbraw/zinc/85/15/60/425851560.db2.gz RPHIJHNSNDBLBD-QGZVFWFLSA-N 2 2 320.458 2.800 50 0 DFAALP C[N@H+]1CCC[C@](O)(C[NH+](Cc2ccco2)Cc2cccs2)C1 ZINC000041124044 425851561 /nfs/dbraw/zinc/85/15/61/425851561.db2.gz RPHIJHNSNDBLBD-QGZVFWFLSA-N 2 2 320.458 2.800 50 0 DFAALP C[NH+]1CCC[C@](O)(C[N@H+](Cc2ccco2)Cc2cccs2)C1 ZINC000041124044 425851562 /nfs/dbraw/zinc/85/15/62/425851562.db2.gz RPHIJHNSNDBLBD-QGZVFWFLSA-N 2 2 320.458 2.800 50 0 DFAALP C[NH+]1CCC[C@](O)(C[N@@H+](Cc2ccco2)Cc2cccs2)C1 ZINC000041124044 425851563 /nfs/dbraw/zinc/85/15/63/425851563.db2.gz RPHIJHNSNDBLBD-QGZVFWFLSA-N 2 2 320.458 2.800 50 0 DFAALP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000072299677 426014062 /nfs/dbraw/zinc/01/40/62/426014062.db2.gz SHLFURILVNRFDC-GFCCVEGCSA-N 2 2 309.841 2.659 50 0 DFAALP O[C@]1(C[NH+]2CCCC2)CCC[N@H+](Cc2ccc3occc3c2)C1 ZINC000077288016 426126429 /nfs/dbraw/zinc/12/64/29/426126429.db2.gz YCGIJDXYZMYTQL-IBGZPJMESA-N 2 2 314.429 2.856 50 0 DFAALP O[C@]1(C[NH+]2CCCC2)CCC[N@@H+](Cc2ccc3occc3c2)C1 ZINC000077288016 426126432 /nfs/dbraw/zinc/12/64/32/426126432.db2.gz YCGIJDXYZMYTQL-IBGZPJMESA-N 2 2 314.429 2.856 50 0 DFAALP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)c(C)o2)[C@H](C)C1 ZINC000170023210 426137439 /nfs/dbraw/zinc/13/74/39/426137439.db2.gz OOVPAUSPEWBZET-WBMJQRKESA-N 2 2 308.422 2.537 50 0 DFAALP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)c(C)o2)[C@H](C)C1 ZINC000170023210 426137440 /nfs/dbraw/zinc/13/74/40/426137440.db2.gz OOVPAUSPEWBZET-WBMJQRKESA-N 2 2 308.422 2.537 50 0 DFAALP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C(=O)OC)c(C)o2)[C@H](C)C1 ZINC000170023210 426137441 /nfs/dbraw/zinc/13/74/41/426137441.db2.gz OOVPAUSPEWBZET-WBMJQRKESA-N 2 2 308.422 2.537 50 0 DFAALP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C(=O)OC)c(C)o2)[C@H](C)C1 ZINC000170023210 426137444 /nfs/dbraw/zinc/13/74/44/426137444.db2.gz OOVPAUSPEWBZET-WBMJQRKESA-N 2 2 308.422 2.537 50 0 DFAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000078552999 426174870 /nfs/dbraw/zinc/17/48/70/426174870.db2.gz CQYGSRUFGFHXGH-BEFAXECRSA-N 2 2 323.440 2.711 50 0 DFAALP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000078552999 426174872 /nfs/dbraw/zinc/17/48/72/426174872.db2.gz CQYGSRUFGFHXGH-BEFAXECRSA-N 2 2 323.440 2.711 50 0 DFAALP O=C1[C@H]([NH2+]C[C@H]2CCCn3cc[nH+]c32)CCCN1c1ccccc1 ZINC000089845620 426312308 /nfs/dbraw/zinc/31/23/08/426312308.db2.gz KDVKUSPLMXADRH-NVXWUHKLSA-N 2 2 324.428 2.546 50 0 DFAALP C[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccc2c(c1)OCCO2 ZINC000089905114 426317108 /nfs/dbraw/zinc/31/71/08/426317108.db2.gz HWPGXBAGUXFRST-CYBMUJFWSA-N 2 2 309.369 2.956 50 0 DFAALP CCS[C@@H](C)c1noc(C[N@H+](C)CCCn2cc[nH+]c2)n1 ZINC000089274816 426284350 /nfs/dbraw/zinc/28/43/50/426284350.db2.gz YBIDHNGMCCVASZ-LBPRGKRZSA-N 2 2 309.439 2.602 50 0 DFAALP CCS[C@@H](C)c1noc(C[N@@H+](C)CCCn2cc[nH+]c2)n1 ZINC000089274816 426284354 /nfs/dbraw/zinc/28/43/54/426284354.db2.gz YBIDHNGMCCVASZ-LBPRGKRZSA-N 2 2 309.439 2.602 50 0 DFAALP Cc1n[nH]c(C)c1C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000097159464 426454805 /nfs/dbraw/zinc/45/48/05/426454805.db2.gz PFLHPPQQLVSDBU-UHFFFAOYSA-N 2 2 316.424 2.920 50 0 DFAALP CC(C)(C)c1n[nH]cc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000097159290 426455528 /nfs/dbraw/zinc/45/55/28/426455528.db2.gz PYIHPPCOOSSVRF-UHFFFAOYSA-N 2 2 310.405 2.578 50 0 DFAALP C[NH+](C)[C@@H](CNC(=O)c1ccccc1-c1[nH]cc[nH+]1)c1ccco1 ZINC000097635160 426470879 /nfs/dbraw/zinc/47/08/79/426470879.db2.gz KUBKFWQDFALRCJ-HNNXBMFYSA-N 2 2 324.384 2.702 50 0 DFAALP C[C@@H](Cc1cnccn1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000215523445 426552761 /nfs/dbraw/zinc/55/27/61/426552761.db2.gz OFBZLVWTRBQMIV-HNNXBMFYSA-N 2 2 307.401 2.725 50 0 DFAALP C[C@@H](Cc1cnccn1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000215523445 426552764 /nfs/dbraw/zinc/55/27/64/426552764.db2.gz OFBZLVWTRBQMIV-HNNXBMFYSA-N 2 2 307.401 2.725 50 0 DFAALP C[C@@H](C(=O)N1CCCC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000229562609 426639336 /nfs/dbraw/zinc/63/93/36/426639336.db2.gz JPGVKJDCIDRRAT-ROUUACIJSA-N 2 2 321.509 2.585 50 0 DFAALP C[C@@H](C(=O)N1CCCC1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000229562609 426639342 /nfs/dbraw/zinc/63/93/42/426639342.db2.gz JPGVKJDCIDRRAT-ROUUACIJSA-N 2 2 321.509 2.585 50 0 DFAALP Cc1cc(N2CC[NH+](Cc3cncn3CC(C)C)CC2)cc[nH+]1 ZINC000244641263 426723409 /nfs/dbraw/zinc/72/34/09/426723409.db2.gz GMLHEVBCABDVRZ-UHFFFAOYSA-N 2 2 313.449 2.565 50 0 DFAALP Cc1cc(N2CCN(Cc3c[nH+]cn3CC(C)C)CC2)cc[nH+]1 ZINC000244641263 426723416 /nfs/dbraw/zinc/72/34/16/426723416.db2.gz GMLHEVBCABDVRZ-UHFFFAOYSA-N 2 2 313.449 2.565 50 0 DFAALP Cc1ncc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)s1 ZINC000275696009 426898686 /nfs/dbraw/zinc/89/86/86/426898686.db2.gz NDCQWCWMDBMBAF-MRXNPFEDSA-N 2 2 316.474 2.991 50 0 DFAALP Cc1ncc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)s1 ZINC000275696009 426898691 /nfs/dbraw/zinc/89/86/91/426898691.db2.gz NDCQWCWMDBMBAF-MRXNPFEDSA-N 2 2 316.474 2.991 50 0 DFAALP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000252537350 427188814 /nfs/dbraw/zinc/18/88/14/427188814.db2.gz KYWLNNMILKKCCU-CRAIPNDOSA-N 2 2 317.477 2.992 50 0 DFAALP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000252537350 427188817 /nfs/dbraw/zinc/18/88/17/427188817.db2.gz KYWLNNMILKKCCU-CRAIPNDOSA-N 2 2 317.477 2.992 50 0 DFAALP FC(F)Oc1ccc([C@@H]2C[N@H+](CCn3cc[nH+]c3)CCO2)cc1 ZINC000253421006 427208091 /nfs/dbraw/zinc/20/80/91/427208091.db2.gz VBXOBLNFKAJEAU-HNNXBMFYSA-N 2 2 323.343 2.558 50 0 DFAALP FC(F)Oc1ccc([C@@H]2C[N@@H+](CCn3cc[nH+]c3)CCO2)cc1 ZINC000253421006 427208098 /nfs/dbraw/zinc/20/80/98/427208098.db2.gz VBXOBLNFKAJEAU-HNNXBMFYSA-N 2 2 323.343 2.558 50 0 DFAALP C[C@@H]1CC[N@@H+]([C@H]2CCc3ccccc3NC2=O)C[C@H]1n1cc[nH+]c1 ZINC000248916731 274304473 /nfs/dbraw/zinc/30/44/73/274304473.db2.gz ZZQWLAJPFSNDRM-FHLIZLRMSA-N 2 2 324.428 2.720 50 0 DFAALP C[C@@H]1CC[N@H+]([C@H]2CCc3ccccc3NC2=O)C[C@H]1n1cc[nH+]c1 ZINC000248916731 274304474 /nfs/dbraw/zinc/30/44/74/274304474.db2.gz ZZQWLAJPFSNDRM-FHLIZLRMSA-N 2 2 324.428 2.720 50 0 DFAALP Cc1ccc(N2CCC[C@H](c3[nH+]ccn3CC[NH+](C)C)C2)[nH+]c1 ZINC000095527605 185378301 /nfs/dbraw/zinc/37/83/01/185378301.db2.gz CHOCFTBRKQAPRJ-INIZCTEOSA-N 3 2 313.449 2.532 50 0 DFAALP Cc1ccc(N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)[nH+]c1 ZINC000095527605 185378302 /nfs/dbraw/zinc/37/83/02/185378302.db2.gz CHOCFTBRKQAPRJ-INIZCTEOSA-N 2 2 313.449 2.532 50 0 DFAALP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCCn3cc[nH+]c3)CC2)C1 ZINC000095419077 185359867 /nfs/dbraw/zinc/35/98/67/185359867.db2.gz UCXAVMJGMOOOLO-WMZOPIPTSA-N 3 2 304.482 2.906 50 0 DFAALP Cc1ccsc1C[N@H+](Cc1cncnc1)[C@@H]1CCC[NH2+]CC1 ZINC000328656459 398569677 /nfs/dbraw/zinc/56/96/77/398569677.db2.gz ZIFZSJLZGFBULY-MRXNPFEDSA-N 2 2 316.474 2.991 50 0 DFAALP Cc1ccsc1C[N@@H+](Cc1cncnc1)[C@@H]1CCC[NH2+]CC1 ZINC000328656459 398569682 /nfs/dbraw/zinc/56/96/82/398569682.db2.gz ZIFZSJLZGFBULY-MRXNPFEDSA-N 2 2 316.474 2.991 50 0 DFAALP CCn1cc[nH+]c1CN1CCC[N@H+](CC2CC2)[C@H](C(C)C)C1 ZINC000071747747 191021154 /nfs/dbraw/zinc/02/11/54/191021154.db2.gz CAHRGWQTMJGCLL-KRWDZBQOSA-N 2 2 304.482 2.845 50 0 DFAALP CCn1cc[nH+]c1CN1CCC[N@@H+](CC2CC2)[C@H](C(C)C)C1 ZINC000071747747 191021155 /nfs/dbraw/zinc/02/11/55/191021155.db2.gz CAHRGWQTMJGCLL-KRWDZBQOSA-N 2 2 304.482 2.845 50 0 DFAALP Cn1cc[nH+]c1CN1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000072135195 191046673 /nfs/dbraw/zinc/04/66/73/191046673.db2.gz JWLOWQPCXXWJFT-UHFFFAOYSA-N 2 2 312.461 2.561 50 0 DFAALP Cn1cc[nH+]c1CN1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000072135195 191046674 /nfs/dbraw/zinc/04/66/74/191046674.db2.gz JWLOWQPCXXWJFT-UHFFFAOYSA-N 2 2 312.461 2.561 50 0 DFAALP Cc1[nH+]ccn1-c1ccccc1Cn1cc[nH+]c1[C@@H]1CCOC1 ZINC000072166248 191065382 /nfs/dbraw/zinc/06/53/82/191065382.db2.gz UUSYODMGLVGIEB-MRXNPFEDSA-N 2 2 308.385 2.929 50 0 DFAALP C[C@H](C(=O)NC1CCC(C)CC1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072304906 191116178 /nfs/dbraw/zinc/11/61/78/191116178.db2.gz KQQOOWWYOKGORK-FPQWYMTMSA-N 2 2 323.525 2.876 50 0 DFAALP C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072304906 191116180 /nfs/dbraw/zinc/11/61/80/191116180.db2.gz KQQOOWWYOKGORK-FPQWYMTMSA-N 2 2 323.525 2.876 50 0 DFAALP C[C@H](C(=O)NC1CCC(C)CC1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000072304906 191116181 /nfs/dbraw/zinc/11/61/81/191116181.db2.gz KQQOOWWYOKGORK-FPQWYMTMSA-N 2 2 323.525 2.876 50 0 DFAALP C[C@H](C(=O)NC1CCC(C)CC1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000072304906 191116183 /nfs/dbraw/zinc/11/61/83/191116183.db2.gz KQQOOWWYOKGORK-FPQWYMTMSA-N 2 2 323.525 2.876 50 0 DFAALP O=C(c1cccc([C@H]2CC[NH2+]C2)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000072409538 191153301 /nfs/dbraw/zinc/15/33/01/191153301.db2.gz UDPCNNCANMOOCT-KRWDZBQOSA-N 2 2 324.428 2.506 50 0 DFAALP CC(C)C[N@@H+]1CCC[C@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 ZINC000072424474 191159323 /nfs/dbraw/zinc/15/93/23/191159323.db2.gz DDMXUSPGUDMFOQ-INIZCTEOSA-N 2 2 319.497 2.636 50 0 DFAALP CC(C)C[N@H+]1CCC[C@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 ZINC000072424474 191159324 /nfs/dbraw/zinc/15/93/24/191159324.db2.gz DDMXUSPGUDMFOQ-INIZCTEOSA-N 2 2 319.497 2.636 50 0 DFAALP COCCC[N@H+](Cc1ccnc(C(C)C)n1)C1CC[NH+](C)CC1 ZINC000072447811 191168284 /nfs/dbraw/zinc/16/82/84/191168284.db2.gz DDAWVYBVRFNMAQ-UHFFFAOYSA-N 2 2 320.481 2.533 50 0 DFAALP COCCC[N@@H+](Cc1ccnc(C(C)C)n1)C1CC[NH+](C)CC1 ZINC000072447811 191168287 /nfs/dbraw/zinc/16/82/87/191168287.db2.gz DDAWVYBVRFNMAQ-UHFFFAOYSA-N 2 2 320.481 2.533 50 0 DFAALP Nc1cc[nH+]c(N[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)n1 ZINC000072453494 191170782 /nfs/dbraw/zinc/17/07/82/191170782.db2.gz DSRBLPWTBMHJGR-MRXNPFEDSA-N 2 2 311.433 2.568 50 0 DFAALP Nc1cc[nH+]c(N[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)n1 ZINC000072453494 191170785 /nfs/dbraw/zinc/17/07/85/191170785.db2.gz DSRBLPWTBMHJGR-MRXNPFEDSA-N 2 2 311.433 2.568 50 0 DFAALP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cccc4[nH+]ccn43)C2)[nH+]1 ZINC000179989129 199103125 /nfs/dbraw/zinc/10/31/25/199103125.db2.gz BWMNFNLETLJUOD-INIZCTEOSA-N 3 2 321.428 2.972 50 0 DFAALP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)[nH+]1 ZINC000179989129 199103127 /nfs/dbraw/zinc/10/31/27/199103127.db2.gz BWMNFNLETLJUOD-INIZCTEOSA-N 3 2 321.428 2.972 50 0 DFAALP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]Cc2cccc3cc[nH]c32)CCO1 ZINC000275359174 212290895 /nfs/dbraw/zinc/29/08/95/212290895.db2.gz ASWSWAZOWCNEIS-DOTOQJQBSA-N 2 2 310.401 2.911 50 0 DFAALP CCCn1cc[nH+]c1CNC(=O)[C@@H](c1cccc(C)c1)[NH+](C)C ZINC000092037450 193144306 /nfs/dbraw/zinc/14/43/06/193144306.db2.gz FHBFYHBZCPFWOD-QGZVFWFLSA-N 2 2 314.433 2.521 50 0 DFAALP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3cscn3)C1)CCCC2 ZINC000275311243 212265639 /nfs/dbraw/zinc/26/56/39/212265639.db2.gz NZHJHEBYCBQWQZ-CQSZACIVSA-N 2 2 302.447 2.974 50 0 DFAALP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3cscn3)C1)CCCC2 ZINC000275311243 212265640 /nfs/dbraw/zinc/26/56/40/212265640.db2.gz NZHJHEBYCBQWQZ-CQSZACIVSA-N 2 2 302.447 2.974 50 0 DFAALP CCCn1nc(C)c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1C ZINC000093865723 193321756 /nfs/dbraw/zinc/32/17/56/193321756.db2.gz KVKYMTNJNZAZLJ-KRWDZBQOSA-N 2 2 314.433 2.958 50 0 DFAALP CCCn1nc(C)c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1C ZINC000093865723 193321758 /nfs/dbraw/zinc/32/17/58/193321758.db2.gz KVKYMTNJNZAZLJ-KRWDZBQOSA-N 2 2 314.433 2.958 50 0 DFAALP Brc1csc(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000020305992 182205284 /nfs/dbraw/zinc/20/52/84/182205284.db2.gz HEANFFWUYOCDDC-UHFFFAOYSA-N 2 2 300.225 2.887 50 0 DFAALP COC(=O)CC[C@H]1C[N@H+](Cc2cccc(F)c2)CC[C@H]1[NH+](C)C ZINC000039358005 183017423 /nfs/dbraw/zinc/01/74/23/183017423.db2.gz XFHOREANAVORHP-DOTOQJQBSA-N 2 2 322.424 2.531 50 0 DFAALP COC(=O)CC[C@H]1C[N@@H+](Cc2cccc(F)c2)CC[C@H]1[NH+](C)C ZINC000039358005 183017425 /nfs/dbraw/zinc/01/74/25/183017425.db2.gz XFHOREANAVORHP-DOTOQJQBSA-N 2 2 322.424 2.531 50 0 DFAALP O[C@@H](C[NH+]1CCC([NH+]2CCCC2)CC1)c1ccccc1Cl ZINC000051952975 425883767 /nfs/dbraw/zinc/88/37/67/425883767.db2.gz PRTQWVBRNVYZBE-KRWDZBQOSA-N 2 2 308.853 2.934 50 0 DFAALP CC(C)[NH+]1CCC([N@H+](C)CC(=O)N[C@H](C)c2ccccc2)CC1 ZINC000058324800 184105357 /nfs/dbraw/zinc/10/53/57/184105357.db2.gz YNNJHTQWSRCASM-MRXNPFEDSA-N 2 2 317.477 2.668 50 0 DFAALP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)N[C@H](C)c2ccccc2)CC1 ZINC000058324800 184105358 /nfs/dbraw/zinc/10/53/58/184105358.db2.gz YNNJHTQWSRCASM-MRXNPFEDSA-N 2 2 317.477 2.668 50 0 DFAALP C[C@@](O)(C[NH+]1CCC([NH2+]Cc2ccccc2)CC1)C(F)(F)F ZINC000408522870 257254907 /nfs/dbraw/zinc/25/49/07/257254907.db2.gz DMPSDXPGSOOPDI-OAHLLOKOSA-N 2 2 316.367 2.554 50 0 DFAALP C[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328647564 533511785 /nfs/dbraw/zinc/51/17/85/533511785.db2.gz UBDHSRJSSJXGBF-SNRMKQJTSA-N 2 2 317.477 2.869 50 0 DFAALP C[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328647564 533511787 /nfs/dbraw/zinc/51/17/87/533511787.db2.gz UBDHSRJSSJXGBF-SNRMKQJTSA-N 2 2 317.477 2.869 50 0 DFAALP COc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(Cl)cc1OC(C)C ZINC000215815180 542874003 /nfs/dbraw/zinc/87/40/03/542874003.db2.gz RSASCEDVDXRGPG-OKILXGFUSA-N 2 2 324.852 2.787 50 0 DFAALP COc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(Cl)cc1OC(C)C ZINC000215815180 542874009 /nfs/dbraw/zinc/87/40/09/542874009.db2.gz RSASCEDVDXRGPG-OKILXGFUSA-N 2 2 324.852 2.787 50 0 DFAALP c1cn(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c[nH+]1 ZINC000245791774 146102883 /nfs/dbraw/zinc/10/28/83/146102883.db2.gz XKMMBROULDIIDK-WOJBJXKFSA-N 3 2 324.472 2.870 50 0 DFAALP c1cn(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c[nH+]1 ZINC000245791774 146102886 /nfs/dbraw/zinc/10/28/86/146102886.db2.gz XKMMBROULDIIDK-WOJBJXKFSA-N 3 2 324.472 2.870 50 0 DFAALP c1cn(CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c[nH+]1 ZINC000245791774 146102888 /nfs/dbraw/zinc/10/28/88/146102888.db2.gz XKMMBROULDIIDK-WOJBJXKFSA-N 3 2 324.472 2.870 50 0 DFAALP c1cn(CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c[nH+]1 ZINC000245791774 146102892 /nfs/dbraw/zinc/10/28/92/146102892.db2.gz XKMMBROULDIIDK-WOJBJXKFSA-N 3 2 324.472 2.870 50 0 DFAALP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262052508 146326931 /nfs/dbraw/zinc/32/69/31/146326931.db2.gz QJXIXKLUFJQZKM-LPHOPBHVSA-N 3 2 312.461 2.809 50 0 DFAALP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262052508 146326932 /nfs/dbraw/zinc/32/69/32/146326932.db2.gz QJXIXKLUFJQZKM-LPHOPBHVSA-N 3 2 312.461 2.809 50 0 DFAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000184734871 158037410 /nfs/dbraw/zinc/03/74/10/158037410.db2.gz FVPVOMMCHYWOKA-AWEZNQCLSA-N 2 2 309.417 2.751 50 0 DFAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000184734871 158037411 /nfs/dbraw/zinc/03/74/11/158037411.db2.gz FVPVOMMCHYWOKA-AWEZNQCLSA-N 2 2 309.417 2.751 50 0 DFAALP NC(=O)c1ccc(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000053780650 425888768 /nfs/dbraw/zinc/88/87/68/425888768.db2.gz FVUSLNFXIAGMHI-LJQANCHMSA-N 2 2 323.440 2.712 50 0 DFAALP c1coc(C[NH+]2CCC([N@@H+]3CCC[C@H](c4cc[nH]n4)C3)CC2)c1 ZINC000670451120 544042361 /nfs/dbraw/zinc/04/23/61/544042361.db2.gz VBGQNWHWBKXAEB-HNNXBMFYSA-N 2 2 314.433 2.847 50 0 DFAALP c1coc(C[NH+]2CCC([N@H+]3CCC[C@H](c4cc[nH]n4)C3)CC2)c1 ZINC000670451120 544042363 /nfs/dbraw/zinc/04/23/63/544042363.db2.gz VBGQNWHWBKXAEB-HNNXBMFYSA-N 2 2 314.433 2.847 50 0 DFAALP COc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1OC ZINC000067946696 425914887 /nfs/dbraw/zinc/91/48/87/425914887.db2.gz WTFSBQDMXYTQKJ-KRWDZBQOSA-N 2 2 324.852 2.933 50 0 DFAALP COc1cc(Cl)cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1OC ZINC000067946696 425914888 /nfs/dbraw/zinc/91/48/88/425914888.db2.gz WTFSBQDMXYTQKJ-KRWDZBQOSA-N 2 2 324.852 2.933 50 0 DFAALP Fc1ccc(-c2noc3c2C[N@@H+](C2CC[NH2+]CC2)CC3)cc1F ZINC000067981925 425915428 /nfs/dbraw/zinc/91/54/28/425915428.db2.gz WNXAFHXIVZOOFP-UHFFFAOYSA-N 2 2 319.355 2.730 50 0 DFAALP Fc1ccc(-c2noc3c2C[N@H+](C2CC[NH2+]CC2)CC3)cc1F ZINC000067981925 425915429 /nfs/dbraw/zinc/91/54/29/425915429.db2.gz WNXAFHXIVZOOFP-UHFFFAOYSA-N 2 2 319.355 2.730 50 0 DFAALP CCC[NH+]1CCC([NH+]2CCN(c3ccccc3OC)CC2)CC1 ZINC000004981289 425621860 /nfs/dbraw/zinc/62/18/60/425621860.db2.gz PNUMRTFMOWKRRT-UHFFFAOYSA-N 2 2 317.477 2.692 50 0 DFAALP c1c(CC[NH2+]Cc2cccc3c2OCCCO3)[nH+]c2ccccn12 ZINC000044973813 425859453 /nfs/dbraw/zinc/85/94/53/425859453.db2.gz GLYBZZOQRVVWPW-UHFFFAOYSA-N 2 2 323.396 2.828 50 0 DFAALP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)n1cc[nH+]c1)c1ccsc1 ZINC000048236921 425873682 /nfs/dbraw/zinc/87/36/82/425873682.db2.gz YGXYEUXTYPRQCO-ZFWWWQNUSA-N 2 2 320.462 2.705 50 0 DFAALP c1cn(C2CC[NH+](Cc3noc(-c4ccccc4)n3)CC2)c[nH+]1 ZINC000075139000 426065411 /nfs/dbraw/zinc/06/54/11/426065411.db2.gz IIXLXEJPZCUNBC-UHFFFAOYSA-N 2 2 309.373 2.770 50 0 DFAALP Cc1ncsc1CCN(C)c1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000077540241 426139279 /nfs/dbraw/zinc/13/92/79/426139279.db2.gz WHUJPOBNGLFMLC-UHFFFAOYSA-N 2 2 313.430 2.770 50 0 DFAALP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1c[nH]nc1C(C)(C)C)CCC2 ZINC000089702110 426303714 /nfs/dbraw/zinc/30/37/14/426303714.db2.gz NBFRSCXWKORROM-ZDUSSCGKSA-N 2 2 301.438 2.879 50 0 DFAALP C[C@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccc2c(c1)OCCO2 ZINC000089905113 426317605 /nfs/dbraw/zinc/31/76/05/426317605.db2.gz HWPGXBAGUXFRST-ZDUSSCGKSA-N 2 2 309.369 2.956 50 0 DFAALP c1[nH]c2c([nH+]1)CCN(Cc1cc(C[NH+]3CCCC3)cs1)C2 ZINC000095352536 426366191 /nfs/dbraw/zinc/36/61/91/426366191.db2.gz MWEBZDZXOOTJOE-UHFFFAOYSA-N 2 2 302.447 2.625 50 0 DFAALP C[C@H]1C[C@@H]([NH2+]Cc2ccc(CO)o2)CC[N@@H+]1Cc1ccccc1 ZINC000096456809 426431563 /nfs/dbraw/zinc/43/15/63/426431563.db2.gz QHLLEJNLRGXVNV-RDJZCZTQSA-N 2 2 314.429 2.915 50 0 DFAALP C[C@H]1C[C@@H]([NH2+]Cc2ccc(CO)o2)CC[N@H+]1Cc1ccccc1 ZINC000096456809 426431566 /nfs/dbraw/zinc/43/15/66/426431566.db2.gz QHLLEJNLRGXVNV-RDJZCZTQSA-N 2 2 314.429 2.915 50 0 DFAALP C[C@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000097200732 426457147 /nfs/dbraw/zinc/45/71/47/426457147.db2.gz NUSLWGFFJYVQOW-CHWSQXEVSA-N 2 2 313.405 2.837 50 0 DFAALP C[C@H](c1nc(C2CC2)no1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000097200732 426457151 /nfs/dbraw/zinc/45/71/51/426457151.db2.gz NUSLWGFFJYVQOW-CHWSQXEVSA-N 2 2 313.405 2.837 50 0 DFAALP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000097376972 426465245 /nfs/dbraw/zinc/46/52/45/426465245.db2.gz YOSRBLFQESGTEF-OAHLLOKOSA-N 2 2 315.465 2.826 50 0 DFAALP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000097376972 426465248 /nfs/dbraw/zinc/46/52/48/426465248.db2.gz YOSRBLFQESGTEF-OAHLLOKOSA-N 2 2 315.465 2.826 50 0 DFAALP COc1ccc2[nH]c(CC[N@H+](C)CCc3ccccn3)[nH+]c2c1 ZINC000244723790 426727584 /nfs/dbraw/zinc/72/75/84/426727584.db2.gz MHNFTPJDWDTWJU-UHFFFAOYSA-N 2 2 310.401 2.684 50 0 DFAALP COc1ccc2[nH]c(CC[N@@H+](C)CCc3ccccn3)[nH+]c2c1 ZINC000244723790 426727587 /nfs/dbraw/zinc/72/75/87/426727587.db2.gz MHNFTPJDWDTWJU-UHFFFAOYSA-N 2 2 310.401 2.684 50 0 DFAALP C[C@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000182519098 427092704 /nfs/dbraw/zinc/09/27/04/427092704.db2.gz YIBQDYZIDJFKKX-GJZGRUSLSA-N 2 2 322.453 2.651 50 0 DFAALP Fc1ccc(CN2CCC[N@H+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000182618366 427113748 /nfs/dbraw/zinc/11/37/48/427113748.db2.gz JDVFADUUCKZVSQ-UHFFFAOYSA-N 2 2 316.424 2.620 50 0 DFAALP Fc1ccc(CN2CCC[N@@H+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000182618366 427113753 /nfs/dbraw/zinc/11/37/53/427113753.db2.gz JDVFADUUCKZVSQ-UHFFFAOYSA-N 2 2 316.424 2.620 50 0 DFAALP C[N@H+](Cc1ccon1)Cc1ccc(OC[C@H]2CCC[NH2+]C2)cc1 ZINC000299779275 427769413 /nfs/dbraw/zinc/76/94/13/427769413.db2.gz QLAANEADKAOKSL-INIZCTEOSA-N 2 2 315.417 2.685 50 0 DFAALP C[N@@H+](Cc1ccon1)Cc1ccc(OC[C@H]2CCC[NH2+]C2)cc1 ZINC000299779275 427769416 /nfs/dbraw/zinc/76/94/16/427769416.db2.gz QLAANEADKAOKSL-INIZCTEOSA-N 2 2 315.417 2.685 50 0 DFAALP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCc3[nH+]c(C)cn3C2)C12CCCC2 ZINC000096493379 276353972 /nfs/dbraw/zinc/35/39/72/276353972.db2.gz LZGUFXHAHGLLLM-OWCLPIDISA-N 2 2 303.450 2.834 50 0 DFAALP Cc1ncsc1C[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328627479 231259206 /nfs/dbraw/zinc/25/92/06/231259206.db2.gz GGYNIBOROAPPFP-HOCLYGCPSA-N 2 2 302.447 2.629 50 0 DFAALP Cc1ncsc1C[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328627479 231259209 /nfs/dbraw/zinc/25/92/09/231259209.db2.gz GGYNIBOROAPPFP-HOCLYGCPSA-N 2 2 302.447 2.629 50 0 DFAALP CC(C)(C)OC(=O)C[C@@]1([NH3+])CCC[N@H+](Cc2ccccc2)C1 ZINC000584883349 398425003 /nfs/dbraw/zinc/42/50/03/398425003.db2.gz MZWLZOGLGLRUQH-SFHVURJKSA-N 2 2 304.434 2.712 50 0 DFAALP CC(C)(C)OC(=O)C[C@@]1([NH3+])CCC[N@@H+](Cc2ccccc2)C1 ZINC000584883349 398425008 /nfs/dbraw/zinc/42/50/08/398425008.db2.gz MZWLZOGLGLRUQH-SFHVURJKSA-N 2 2 304.434 2.712 50 0 DFAALP COc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1F ZINC000237359045 202243980 /nfs/dbraw/zinc/24/39/80/202243980.db2.gz DGHAZKGNLSETAV-UHFFFAOYSA-N 2 2 315.392 2.988 50 0 DFAALP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(OC(C)(C)C)cc1 ZINC000157061327 299310744 /nfs/dbraw/zinc/31/07/44/299310744.db2.gz SELGSYAGVUIXNS-DOTOQJQBSA-N 2 2 319.493 2.760 50 0 DFAALP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(OC(C)(C)C)cc1 ZINC000157061327 299310747 /nfs/dbraw/zinc/31/07/47/299310747.db2.gz SELGSYAGVUIXNS-DOTOQJQBSA-N 2 2 319.493 2.760 50 0 DFAALP COCCn1cc[nH+]c1C1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000091325445 193040751 /nfs/dbraw/zinc/04/07/51/193040751.db2.gz MLUPGAGZKSUFHU-UHFFFAOYSA-N 2 2 318.421 2.514 50 0 DFAALP Cn1cc[nH+]c1C1CC[NH+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000091644738 193083719 /nfs/dbraw/zinc/08/37/19/193083719.db2.gz RKKSLXGPIQVOIB-UHFFFAOYSA-N 2 2 323.400 2.850 50 0 DFAALP CCOc1c(C[NH2+]CCC[NH+](C)C)cc(Cl)cc1OC ZINC000020477807 182222349 /nfs/dbraw/zinc/22/23/49/182222349.db2.gz ZFOXKJGBZYDEQW-UHFFFAOYSA-N 2 2 300.830 2.789 50 0 DFAALP Cc1ccc(-n2ncc3c2nc[nH+]c3NCCC[NH+](C)C)cc1C ZINC000020661948 182242194 /nfs/dbraw/zinc/24/21/94/182242194.db2.gz ODVLWEBSDBHPKM-UHFFFAOYSA-N 2 2 324.432 2.796 50 0 DFAALP COc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1Br ZINC000020927771 182254435 /nfs/dbraw/zinc/25/44/35/182254435.db2.gz HCQRMTBQZLEHJB-UHFFFAOYSA-N 2 2 324.222 2.834 50 0 DFAALP C[N@@H+]1CCC[C@](O)(CN(Cc2ccccc2)c2cccc[nH+]2)C1 ZINC000041124036 183168854 /nfs/dbraw/zinc/16/88/54/183168854.db2.gz JJHNIRJZTQDFPC-LJQANCHMSA-N 2 2 311.429 2.545 50 0 DFAALP C[N@H+]1CCC[C@](O)(CN(Cc2ccccc2)c2cccc[nH+]2)C1 ZINC000041124036 183168856 /nfs/dbraw/zinc/16/88/56/183168856.db2.gz JJHNIRJZTQDFPC-LJQANCHMSA-N 2 2 311.429 2.545 50 0 DFAALP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(C(=O)OC)o2)C1 ZINC000105896281 194162684 /nfs/dbraw/zinc/16/26/84/194162684.db2.gz GZGNGYGYNQLEMQ-CYBMUJFWSA-N 2 2 317.389 2.662 50 0 DFAALP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)OC)o2)C1 ZINC000105896281 194162686 /nfs/dbraw/zinc/16/26/86/194162686.db2.gz GZGNGYGYNQLEMQ-CYBMUJFWSA-N 2 2 317.389 2.662 50 0 DFAALP c1cc(OC2CC[NH+](C3CSCCSC3)CC2)cc[nH+]1 ZINC000670442504 544040991 /nfs/dbraw/zinc/04/09/91/544040991.db2.gz CPDCILMIERYSCB-UHFFFAOYSA-N 2 2 310.488 2.773 50 0 DFAALP CCc1[nH]c(CN2CC[NH+](Cc3cccc(F)c3)CC2)c(C)[nH+]1 ZINC000055568793 425894300 /nfs/dbraw/zinc/89/43/00/425894300.db2.gz QQTYPZZBFLOTNA-UHFFFAOYSA-N 2 2 316.424 2.737 50 0 DFAALP Cc1c[nH+]ccc1-n1nc(-c2ccccc2)nc1Cc1c[nH]c[nH+]1 ZINC000067885362 425914362 /nfs/dbraw/zinc/91/43/62/425914362.db2.gz ZXDDBFXRZILSRX-UHFFFAOYSA-N 2 2 316.368 2.952 50 0 DFAALP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1 ZINC000102438444 425920905 /nfs/dbraw/zinc/92/09/05/425920905.db2.gz PHHSNFMWCLUIRW-NVXWUHKLSA-N 2 2 303.450 2.786 50 0 DFAALP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1 ZINC000102438444 425920907 /nfs/dbraw/zinc/92/09/07/425920907.db2.gz PHHSNFMWCLUIRW-NVXWUHKLSA-N 2 2 303.450 2.786 50 0 DFAALP Cc1[nH]c2ccc(F)cc2c(=O)c1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000008717126 425674072 /nfs/dbraw/zinc/67/40/72/425674072.db2.gz UWVSAWDPAZJEDC-UHFFFAOYSA-N 2 2 317.408 2.914 50 0 DFAALP Cc1[nH]c2ccc(F)cc2c(=O)c1C[N@H+](C)C1CC[NH+](C)CC1 ZINC000008717126 425674074 /nfs/dbraw/zinc/67/40/74/425674074.db2.gz UWVSAWDPAZJEDC-UHFFFAOYSA-N 2 2 317.408 2.914 50 0 DFAALP CC[N@@H+](Cc1noc(C)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108411 426100353 /nfs/dbraw/zinc/10/03/53/426100353.db2.gz ABVWZBAVXPUSFT-UHFFFAOYSA-N 2 2 315.421 2.512 50 0 DFAALP CC[N@H+](Cc1noc(C)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108411 426100357 /nfs/dbraw/zinc/10/03/57/426100357.db2.gz ABVWZBAVXPUSFT-UHFFFAOYSA-N 2 2 315.421 2.512 50 0 DFAALP CCn1c(C[NH+](C)C)nnc1C1CC[NH+](CC2CCCC2)CC1 ZINC000077377004 426130599 /nfs/dbraw/zinc/13/05/99/426130599.db2.gz DFXHASRUAWYXJK-UHFFFAOYSA-N 2 2 319.497 2.729 50 0 DFAALP CC[C@H]1COCC[N@@H+]1Cc1ccc(OCCn2cc[nH+]c2)cc1 ZINC000077391987 426131923 /nfs/dbraw/zinc/13/19/23/426131923.db2.gz DVVBPOILUGMXOF-KRWDZBQOSA-N 2 2 315.417 2.573 50 0 DFAALP CC[C@H]1COCC[N@H+]1Cc1ccc(OCCn2cc[nH+]c2)cc1 ZINC000077391987 426131927 /nfs/dbraw/zinc/13/19/27/426131927.db2.gz DVVBPOILUGMXOF-KRWDZBQOSA-N 2 2 315.417 2.573 50 0 DFAALP CSc1ccccc1C[N@@H+]1CC[C@@](O)(C[NH+]2CCCCC2)C1 ZINC000077456235 426133890 /nfs/dbraw/zinc/13/38/90/426133890.db2.gz CBNMGWUFBHZNLI-GOSISDBHSA-N 2 2 320.502 2.831 50 0 DFAALP CSc1ccccc1C[N@H+]1CC[C@@](O)(C[NH+]2CCCCC2)C1 ZINC000077456235 426133891 /nfs/dbraw/zinc/13/38/91/426133891.db2.gz CBNMGWUFBHZNLI-GOSISDBHSA-N 2 2 320.502 2.831 50 0 DFAALP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000121042562 426320748 /nfs/dbraw/zinc/32/07/48/426320748.db2.gz ABPZTSHXLMHNJU-WBAXXEDZSA-N 2 2 311.429 2.892 50 0 DFAALP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000096008647 426387465 /nfs/dbraw/zinc/38/74/65/426387465.db2.gz WZLVHCAQESVMQC-HNNXBMFYSA-N 2 2 320.481 2.679 50 0 DFAALP Cc1nc(C[N@@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)oc1C ZINC000097200816 426457559 /nfs/dbraw/zinc/45/75/59/426457559.db2.gz AKWJLIYODXHIFM-OAHLLOKOSA-N 2 2 300.406 2.929 50 0 DFAALP Cc1nc(C[N@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)oc1C ZINC000097200816 426457563 /nfs/dbraw/zinc/45/75/63/426457563.db2.gz AKWJLIYODXHIFM-OAHLLOKOSA-N 2 2 300.406 2.929 50 0 DFAALP Cc1ccc(NC[C@H]2CC[N@H+](Cc3nc(C4CC4)no3)C2)[nH+]c1 ZINC000097200828 426457906 /nfs/dbraw/zinc/45/79/06/426457906.db2.gz GEPMROZPPXIUOL-CYBMUJFWSA-N 2 2 313.405 2.584 50 0 DFAALP Cc1ccc(NC[C@H]2CC[N@@H+](Cc3nc(C4CC4)no3)C2)[nH+]c1 ZINC000097200828 426457910 /nfs/dbraw/zinc/45/79/10/426457910.db2.gz GEPMROZPPXIUOL-CYBMUJFWSA-N 2 2 313.405 2.584 50 0 DFAALP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000097212740 426458401 /nfs/dbraw/zinc/45/84/01/426458401.db2.gz ATBUGABBTSHPIA-OAHLLOKOSA-N 2 2 312.417 2.845 50 0 DFAALP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000097212740 426458407 /nfs/dbraw/zinc/45/84/07/426458407.db2.gz ATBUGABBTSHPIA-OAHLLOKOSA-N 2 2 312.417 2.845 50 0 DFAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000097376974 426465139 /nfs/dbraw/zinc/46/51/39/426465139.db2.gz QKVHWKKLSWRAMQ-HNNXBMFYSA-N 2 2 311.429 2.810 50 0 DFAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000097376974 426465141 /nfs/dbraw/zinc/46/51/41/426465141.db2.gz QKVHWKKLSWRAMQ-HNNXBMFYSA-N 2 2 311.429 2.810 50 0 DFAALP C[NH+](C)Cc1csc(C[N@@H+]2CCO[C@@H](c3cccnc3)C2)c1 ZINC000097766345 426474393 /nfs/dbraw/zinc/47/43/93/426474393.db2.gz CPFVSBGYLBANKJ-QGZVFWFLSA-N 2 2 317.458 2.778 50 0 DFAALP C[NH+](C)Cc1csc(C[N@H+]2CCO[C@@H](c3cccnc3)C2)c1 ZINC000097766345 426474396 /nfs/dbraw/zinc/47/43/96/426474396.db2.gz CPFVSBGYLBANKJ-QGZVFWFLSA-N 2 2 317.458 2.778 50 0 DFAALP COc1cccc(C[N@H+](C)CC2=CSC3=[NH+]CCCN23)c1 ZINC000101083835 426483870 /nfs/dbraw/zinc/48/38/70/426483870.db2.gz ACJHEFASLRKQGN-UHFFFAOYSA-N 2 2 303.431 2.777 50 0 DFAALP COc1cccc(C[N@@H+](C)CC2=CSC3=[NH+]CCCN23)c1 ZINC000101083835 426483872 /nfs/dbraw/zinc/48/38/72/426483872.db2.gz ACJHEFASLRKQGN-UHFFFAOYSA-N 2 2 303.431 2.777 50 0 DFAALP CC[NH+]1CCC([N@H+](C)Cc2ccc(N(C)C(C)C)nc2)CC1 ZINC000225393912 426600148 /nfs/dbraw/zinc/60/01/48/426600148.db2.gz KYUAQKNXENEFNQ-UHFFFAOYSA-N 2 2 304.482 2.842 50 0 DFAALP CC[NH+]1CCC([N@@H+](C)Cc2ccc(N(C)C(C)C)nc2)CC1 ZINC000225393912 426600153 /nfs/dbraw/zinc/60/01/53/426600153.db2.gz KYUAQKNXENEFNQ-UHFFFAOYSA-N 2 2 304.482 2.842 50 0 DFAALP COc1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1F ZINC000241213367 426714883 /nfs/dbraw/zinc/71/48/83/426714883.db2.gz KOIJAPOKBMVPAN-CQSZACIVSA-N 2 2 303.381 2.947 50 0 DFAALP COc1cccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1F ZINC000241213367 426714887 /nfs/dbraw/zinc/71/48/87/426714887.db2.gz KOIJAPOKBMVPAN-CQSZACIVSA-N 2 2 303.381 2.947 50 0 DFAALP COc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1O ZINC000245716807 426764553 /nfs/dbraw/zinc/76/45/53/426764553.db2.gz CWVZCRJYASJZRW-DZGCQCFKSA-N 2 2 301.390 2.680 50 0 DFAALP COc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1O ZINC000245716807 426764558 /nfs/dbraw/zinc/76/45/58/426764558.db2.gz CWVZCRJYASJZRW-DZGCQCFKSA-N 2 2 301.390 2.680 50 0 DFAALP Cc1cc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc[nH+]1 ZINC000248888703 427059507 /nfs/dbraw/zinc/05/95/07/427059507.db2.gz ANHSCVCCYGHMIS-IRXDYDNUSA-N 2 2 310.401 2.957 50 0 DFAALP Cc1cc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc[nH+]1 ZINC000248888703 427059510 /nfs/dbraw/zinc/05/95/10/427059510.db2.gz ANHSCVCCYGHMIS-IRXDYDNUSA-N 2 2 310.401 2.957 50 0 DFAALP Cc1cccn2cc(CC[NH2+][C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)[nH+]c12 ZINC000252512542 427186339 /nfs/dbraw/zinc/18/63/39/427186339.db2.gz SAIPLCBEXLQQNO-GVDBMIGSSA-N 2 2 313.445 2.978 50 0 DFAALP CN(CC[NH+](C)C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000095528037 185378456 /nfs/dbraw/zinc/37/84/56/185378456.db2.gz FICIAUFYFUMZEK-UHFFFAOYSA-N 2 2 321.812 2.551 50 0 DFAALP Cc1cc(C)c(CNC(=O)CC2CC[NH+](C(C)C)CC2)c[nH+]1 ZINC000095528670 185378592 /nfs/dbraw/zinc/37/85/92/185378592.db2.gz GWXVKQCYRWZERP-UHFFFAOYSA-N 2 2 303.450 2.825 50 0 DFAALP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(N2CCOC2=O)cc1 ZINC000095419072 185359784 /nfs/dbraw/zinc/35/97/84/185359784.db2.gz ZJAVIPJPSIXCDT-AWEZNQCLSA-N 2 2 314.389 2.581 50 0 DFAALP COCC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccc(OC)c(F)c2)C1 ZINC000095422068 185360632 /nfs/dbraw/zinc/36/06/32/185360632.db2.gz MLFGBMHNCTZXJG-ZFWWWQNUSA-N 2 2 310.413 2.596 50 0 DFAALP COCC[N@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccc(OC)c(F)c2)C1 ZINC000095422068 185360633 /nfs/dbraw/zinc/36/06/33/185360633.db2.gz MLFGBMHNCTZXJG-ZFWWWQNUSA-N 2 2 310.413 2.596 50 0 DFAALP c1ccc(OCC[N@@H+](Cc2cccnc2)C[C@H]2CC[NH2+]C2)cc1 ZINC000328602143 398565167 /nfs/dbraw/zinc/56/51/67/398565167.db2.gz ALOKDPBXWHKSEJ-SFHVURJKSA-N 2 2 311.429 2.572 50 0 DFAALP c1ccc(OCC[N@H+](Cc2cccnc2)C[C@H]2CC[NH2+]C2)cc1 ZINC000328602143 398565170 /nfs/dbraw/zinc/56/51/70/398565170.db2.gz ALOKDPBXWHKSEJ-SFHVURJKSA-N 2 2 311.429 2.572 50 0 DFAALP C[NH+](C)[C@H]1CCCN(C(=O)c2cccc(-c3[nH]cc[nH+]3)c2)CC1 ZINC000072122464 191040489 /nfs/dbraw/zinc/04/04/89/191040489.db2.gz OSRPATOOUJWDQZ-INIZCTEOSA-N 2 2 312.417 2.633 50 0 DFAALP CCc1[nH+]c2ccccc2n1C1CC[NH+](CC(OC)OC)CC1 ZINC000162219009 398981992 /nfs/dbraw/zinc/98/19/92/398981992.db2.gz PMCGBMYGRXDSGT-UHFFFAOYSA-N 2 2 317.433 2.855 50 0 DFAALP c1cc2nonc2c(C[NH+]2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)c1 ZINC000092077213 193153369 /nfs/dbraw/zinc/15/33/69/193153369.db2.gz QAEQCNZSSXLLIZ-GOEBONIOSA-N 2 2 312.417 2.529 50 0 DFAALP c1cc2nonc2c(C[NH+]2C[C@H]3CC[C@H](C[N@@H+]3CC3CC3)C2)c1 ZINC000092077213 193153372 /nfs/dbraw/zinc/15/33/72/193153372.db2.gz QAEQCNZSSXLLIZ-GOEBONIOSA-N 2 2 312.417 2.529 50 0 DFAALP c1cc2nonc2c(C[N@H+]2C[C@H]3CC[C@H](C[NH+]3CC3CC3)C2)c1 ZINC000092077213 193153374 /nfs/dbraw/zinc/15/33/74/193153374.db2.gz QAEQCNZSSXLLIZ-GOEBONIOSA-N 2 2 312.417 2.529 50 0 DFAALP c1cc2nonc2c(C[N@@H+]2C[C@H]3CC[C@H](C[NH+]3CC3CC3)C2)c1 ZINC000092077213 193153376 /nfs/dbraw/zinc/15/33/76/193153376.db2.gz QAEQCNZSSXLLIZ-GOEBONIOSA-N 2 2 312.417 2.529 50 0 DFAALP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000093770335 193303659 /nfs/dbraw/zinc/30/36/59/193303659.db2.gz AHKPVBFHMRWYTD-AWEZNQCLSA-N 2 2 316.424 2.989 50 0 DFAALP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000093770335 193303660 /nfs/dbraw/zinc/30/36/60/193303660.db2.gz AHKPVBFHMRWYTD-AWEZNQCLSA-N 2 2 316.424 2.989 50 0 DFAALP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000093770335 193303662 /nfs/dbraw/zinc/30/36/62/193303662.db2.gz AHKPVBFHMRWYTD-AWEZNQCLSA-N 2 2 316.424 2.989 50 0 DFAALP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000093770335 193303664 /nfs/dbraw/zinc/30/36/64/193303664.db2.gz AHKPVBFHMRWYTD-AWEZNQCLSA-N 2 2 316.424 2.989 50 0 DFAALP Cc1n[nH]c(C)c1C[N@H+](C)C[C@H]1CCC[NH+](Cc2ccco2)C1 ZINC000019745179 182141725 /nfs/dbraw/zinc/14/17/25/182141725.db2.gz RFCUGATYFFEWCN-MRXNPFEDSA-N 2 2 316.449 2.964 50 0 DFAALP Cc1n[nH]c(C)c1C[N@@H+](C)C[C@H]1CCC[NH+](Cc2ccco2)C1 ZINC000019745179 182141727 /nfs/dbraw/zinc/14/17/27/182141727.db2.gz RFCUGATYFFEWCN-MRXNPFEDSA-N 2 2 316.449 2.964 50 0 DFAALP Cc1n[nH]c(C)c1C[NH+](C)C[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000019745179 182141729 /nfs/dbraw/zinc/14/17/29/182141729.db2.gz RFCUGATYFFEWCN-MRXNPFEDSA-N 2 2 316.449 2.964 50 0 DFAALP Cc1n[nH]c(C)c1C[NH+](C)C[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000019745179 182141730 /nfs/dbraw/zinc/14/17/30/182141730.db2.gz RFCUGATYFFEWCN-MRXNPFEDSA-N 2 2 316.449 2.964 50 0 DFAALP Cn1nccc1[C@H]1[C@H](CNc2[nH]c3ccccc3[nH+]2)CCC[N@@H+]1C ZINC000284826426 218195530 /nfs/dbraw/zinc/19/55/30/218195530.db2.gz JZNXYYXGCBBQAA-SUMWQHHRSA-N 2 2 324.432 2.791 50 0 DFAALP Cn1nccc1[C@H]1[C@H](CNc2[nH]c3ccccc3[nH+]2)CCC[N@H+]1C ZINC000284826426 218195532 /nfs/dbraw/zinc/19/55/32/218195532.db2.gz JZNXYYXGCBBQAA-SUMWQHHRSA-N 2 2 324.432 2.791 50 0 DFAALP c1cc(C[N@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)n(-c2cccnc2)c1 ZINC000065394987 184334512 /nfs/dbraw/zinc/33/45/12/184334512.db2.gz RFYXJDISEMMLKA-QGZVFWFLSA-N 2 2 321.428 2.981 50 0 DFAALP c1cc(C[N@@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)n(-c2cccnc2)c1 ZINC000065394987 184334514 /nfs/dbraw/zinc/33/45/14/184334514.db2.gz RFYXJDISEMMLKA-QGZVFWFLSA-N 2 2 321.428 2.981 50 0 DFAALP C[C@@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@@H](C)[NH2+]1 ZINC000153262539 256587633 /nfs/dbraw/zinc/58/76/33/256587633.db2.gz UPWWZCMEZXBGCA-ZIAGYGMSSA-N 2 2 311.385 2.696 50 0 DFAALP O[C@H](C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cccc(Cl)c1 ZINC000221932081 542882817 /nfs/dbraw/zinc/88/28/17/542882817.db2.gz MXZCPZKKZPMWIU-IAGOWNOFSA-N 2 2 318.804 2.922 50 0 DFAALP O[C@H](C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cccc(Cl)c1 ZINC000221932081 542882818 /nfs/dbraw/zinc/88/28/18/542882818.db2.gz MXZCPZKKZPMWIU-IAGOWNOFSA-N 2 2 318.804 2.922 50 0 DFAALP COc1ccc(C2([NH2+]CC[NH+]3CCCCC3)CCOCC2)cc1 ZINC000095400258 286297274 /nfs/dbraw/zinc/29/72/74/286297274.db2.gz CUFMSJKFNMBGJG-UHFFFAOYSA-N 2 2 318.461 2.776 50 0 DFAALP Cc1ccc2c(c1)[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@H](C)C2 ZINC000180543661 292351825 /nfs/dbraw/zinc/35/18/25/292351825.db2.gz DACUVMXRDZIFPW-QAPCUYQASA-N 2 2 302.462 2.929 50 0 DFAALP Cc1ccc2c(c1)[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@H](C)C2 ZINC000180543640 292367237 /nfs/dbraw/zinc/36/72/37/292367237.db2.gz DACUVMXRDZIFPW-CRAIPNDOSA-N 2 2 302.462 2.929 50 0 DFAALP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000670465050 544045028 /nfs/dbraw/zinc/04/50/28/544045028.db2.gz PFVXPYZMFIZESF-INIZCTEOSA-N 2 2 307.869 2.993 50 0 DFAALP CC[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000670465050 544045031 /nfs/dbraw/zinc/04/50/31/544045031.db2.gz PFVXPYZMFIZESF-INIZCTEOSA-N 2 2 307.869 2.993 50 0 DFAALP c1cnn(-c2cccc(C[N@H+]3CCC[C@@H](Cn4cc[nH+]c4)C3)c2)c1 ZINC000067774862 425913210 /nfs/dbraw/zinc/91/32/10/425913210.db2.gz CNNLEXUGTUBGNM-GOSISDBHSA-N 2 2 321.428 2.981 50 0 DFAALP c1cnn(-c2cccc(C[N@@H+]3CCC[C@@H](Cn4cc[nH+]c4)C3)c2)c1 ZINC000067774862 425913211 /nfs/dbraw/zinc/91/32/11/425913211.db2.gz CNNLEXUGTUBGNM-GOSISDBHSA-N 2 2 321.428 2.981 50 0 DFAALP COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1O ZINC000048782318 425877493 /nfs/dbraw/zinc/87/74/93/425877493.db2.gz OBNRBYBPDWQLEK-UHFFFAOYSA-N 2 2 324.384 2.580 50 0 DFAALP Cc1cnc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000076089888 426099451 /nfs/dbraw/zinc/09/94/51/426099451.db2.gz NUKGIZOYGVMQEI-SFHVURJKSA-N 2 2 310.445 2.739 50 0 DFAALP Cc1cnc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000076089888 426099453 /nfs/dbraw/zinc/09/94/53/426099453.db2.gz NUKGIZOYGVMQEI-SFHVURJKSA-N 2 2 310.445 2.739 50 0 DFAALP Cc1cnc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000076089888 426099456 /nfs/dbraw/zinc/09/94/56/426099456.db2.gz NUKGIZOYGVMQEI-SFHVURJKSA-N 2 2 310.445 2.739 50 0 DFAALP Cc1cnc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000076089888 426099457 /nfs/dbraw/zinc/09/94/57/426099457.db2.gz NUKGIZOYGVMQEI-SFHVURJKSA-N 2 2 310.445 2.739 50 0 DFAALP CCCc1ccc(C[N@@H+]2CC[C@@](O)(C[NH+]3CCCCC3)C2)o1 ZINC000077391571 426132088 /nfs/dbraw/zinc/13/20/88/426132088.db2.gz BVYAPWLRGGEGKP-GOSISDBHSA-N 2 2 306.450 2.655 50 0 DFAALP CCCc1ccc(C[N@H+]2CC[C@@](O)(C[NH+]3CCCCC3)C2)o1 ZINC000077391571 426132090 /nfs/dbraw/zinc/13/20/90/426132090.db2.gz BVYAPWLRGGEGKP-GOSISDBHSA-N 2 2 306.450 2.655 50 0 DFAALP Cc1ccc(F)c(C[N@@H+]2CCC[C@@](O)(C[NH+]3CCCC3)C2)c1 ZINC000077406706 426132192 /nfs/dbraw/zinc/13/21/92/426132192.db2.gz OSPIUFIKSFVTBV-GOSISDBHSA-N 2 2 306.425 2.557 50 0 DFAALP Cc1ccc(F)c(C[N@H+]2CCC[C@@](O)(C[NH+]3CCCC3)C2)c1 ZINC000077406706 426132195 /nfs/dbraw/zinc/13/21/95/426132195.db2.gz OSPIUFIKSFVTBV-GOSISDBHSA-N 2 2 306.425 2.557 50 0 DFAALP O[C@@]1(C[NH+]2CCCCC2)CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000077472008 426135795 /nfs/dbraw/zinc/13/57/95/426135795.db2.gz JGRJEXHCNLMXMQ-QGZVFWFLSA-N 2 2 308.853 2.763 50 0 DFAALP O[C@@]1(C[NH+]2CCCCC2)CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000077472008 426135797 /nfs/dbraw/zinc/13/57/97/426135797.db2.gz JGRJEXHCNLMXMQ-QGZVFWFLSA-N 2 2 308.853 2.763 50 0 DFAALP CC(C)[NH+]1CCN(CCCSc2[nH+]cc3ccccn32)CC1 ZINC000170605544 426140348 /nfs/dbraw/zinc/14/03/48/426140348.db2.gz IDJXBUPCGRIMLD-UHFFFAOYSA-N 2 2 318.490 2.843 50 0 DFAALP CC[C@H](O)C[N@H+](C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000133039128 426172746 /nfs/dbraw/zinc/17/27/46/426172746.db2.gz BKOCCILTWLTZIS-INIZCTEOSA-N 2 2 320.481 2.580 50 0 DFAALP CC[C@H](O)C[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000133039128 426172749 /nfs/dbraw/zinc/17/27/49/426172749.db2.gz BKOCCILTWLTZIS-INIZCTEOSA-N 2 2 320.481 2.580 50 0 DFAALP C[C@H](Cn1cc[nH+]c1)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000095369561 426370028 /nfs/dbraw/zinc/37/00/28/426370028.db2.gz CUDZXCZUNRSHLN-CYBMUJFWSA-N 2 2 319.372 2.513 50 0 DFAALP C[N@H+](CC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1)C1CC1 ZINC000095957828 426377391 /nfs/dbraw/zinc/37/73/91/426377391.db2.gz AIIKFZXXLRZJGN-UHFFFAOYSA-N 2 2 322.478 2.552 50 0 DFAALP C[N@@H+](CC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1)C1CC1 ZINC000095957828 426377396 /nfs/dbraw/zinc/37/73/96/426377396.db2.gz AIIKFZXXLRZJGN-UHFFFAOYSA-N 2 2 322.478 2.552 50 0 DFAALP C[N@H+](CCCn1cc[nH+]c1)Cc1cn2cc(Cl)ccc2n1 ZINC000095977329 426381169 /nfs/dbraw/zinc/38/11/69/426381169.db2.gz DGKVYWZVEQUIGN-UHFFFAOYSA-N 2 2 303.797 2.706 50 0 DFAALP C[N@@H+](CCCn1cc[nH+]c1)Cc1cn2cc(Cl)ccc2n1 ZINC000095977329 426381172 /nfs/dbraw/zinc/38/11/72/426381172.db2.gz DGKVYWZVEQUIGN-UHFFFAOYSA-N 2 2 303.797 2.706 50 0 DFAALP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000095981716 426382503 /nfs/dbraw/zinc/38/25/03/426382503.db2.gz OUVMWURPELCGPJ-OCCSQVGLSA-N 2 2 319.430 2.814 50 0 DFAALP COC(=O)c1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000095981716 426382506 /nfs/dbraw/zinc/38/25/06/426382506.db2.gz OUVMWURPELCGPJ-OCCSQVGLSA-N 2 2 319.430 2.814 50 0 DFAALP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000095996701 426385940 /nfs/dbraw/zinc/38/59/40/426385940.db2.gz HKSVOYVGOJBABE-KRWDZBQOSA-N 2 2 314.433 2.667 50 0 DFAALP CN(C)c1cc[nH+]cc1CNC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000095996701 426385941 /nfs/dbraw/zinc/38/59/41/426385941.db2.gz HKSVOYVGOJBABE-KRWDZBQOSA-N 2 2 314.433 2.667 50 0 DFAALP CO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000096003174 426387501 /nfs/dbraw/zinc/38/75/01/426387501.db2.gz LTRAHJNRDMFPSZ-ZIAGYGMSSA-N 2 2 308.388 2.950 50 0 DFAALP COC(C)(C)C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000096476635 426433322 /nfs/dbraw/zinc/43/33/22/426433322.db2.gz QKZDQIFENZKSRD-OAHLLOKOSA-N 2 2 305.466 2.839 50 0 DFAALP CCO[C@H]1C[C@@H]([NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)C1(C)C ZINC000096493374 426435493 /nfs/dbraw/zinc/43/54/93/426435493.db2.gz RQEQJYFYRTYPTO-CABCVRRESA-N 2 2 300.406 2.561 50 0 DFAALP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3ccc(F)cc3F)C2)CC1 ZINC000097048483 426443825 /nfs/dbraw/zinc/44/38/25/426443825.db2.gz SCICXWHRRPXDCF-QGZVFWFLSA-N 2 2 323.431 2.567 50 0 DFAALP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3ccc(F)cc3F)C2)CC1 ZINC000097048483 426443829 /nfs/dbraw/zinc/44/38/29/426443829.db2.gz SCICXWHRRPXDCF-QGZVFWFLSA-N 2 2 323.431 2.567 50 0 DFAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc3c[nH]nc32)C1 ZINC000097139267 426453288 /nfs/dbraw/zinc/45/32/88/426453288.db2.gz IZCOVISFUVEPSP-AWEZNQCLSA-N 2 2 309.417 2.751 50 0 DFAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc3c[nH]nc32)C1 ZINC000097139267 426453291 /nfs/dbraw/zinc/45/32/91/426453291.db2.gz IZCOVISFUVEPSP-AWEZNQCLSA-N 2 2 309.417 2.751 50 0 DFAALP Cc1ccc(NC[C@@H]2CC[N@H+](Cc3nc(C4CC4)no3)C2)[nH+]c1 ZINC000097200827 426457023 /nfs/dbraw/zinc/45/70/23/426457023.db2.gz GEPMROZPPXIUOL-ZDUSSCGKSA-N 2 2 313.405 2.584 50 0 DFAALP Cc1ccc(NC[C@@H]2CC[N@@H+](Cc3nc(C4CC4)no3)C2)[nH+]c1 ZINC000097200827 426457028 /nfs/dbraw/zinc/45/70/28/426457028.db2.gz GEPMROZPPXIUOL-ZDUSSCGKSA-N 2 2 313.405 2.584 50 0 DFAALP Cc1cccc(NC[C@H]2CC[N@H+](Cc3nnc(C4CC4)o3)C2)[nH+]1 ZINC000097200556 426457317 /nfs/dbraw/zinc/45/73/17/426457317.db2.gz HEJSGSQUZBFMSE-CYBMUJFWSA-N 2 2 313.405 2.584 50 0 DFAALP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nnc(C4CC4)o3)C2)[nH+]1 ZINC000097200556 426457320 /nfs/dbraw/zinc/45/73/20/426457320.db2.gz HEJSGSQUZBFMSE-CYBMUJFWSA-N 2 2 313.405 2.584 50 0 DFAALP CCc1ccc(C[NH+]2CCC([NH+]3CCSCC3)CC2)nc1 ZINC000214998524 426550327 /nfs/dbraw/zinc/55/03/27/426550327.db2.gz KDFGSBGHRGEPLD-UHFFFAOYSA-N 2 2 305.491 2.657 50 0 DFAALP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275535978 426865228 /nfs/dbraw/zinc/86/52/28/426865228.db2.gz MFVQNOPFLORESD-BHIYHBOVSA-N 3 2 324.472 2.556 50 0 DFAALP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275535978 426865233 /nfs/dbraw/zinc/86/52/33/426865233.db2.gz MFVQNOPFLORESD-BHIYHBOVSA-N 3 2 324.472 2.556 50 0 DFAALP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccn2C)C1 ZINC000190458879 427114090 /nfs/dbraw/zinc/11/40/90/427114090.db2.gz PMLDEYSOYLZDDU-HNNXBMFYSA-N 2 2 318.490 2.744 50 0 DFAALP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccn2C)C1 ZINC000190458879 427114097 /nfs/dbraw/zinc/11/40/97/427114097.db2.gz PMLDEYSOYLZDDU-HNNXBMFYSA-N 2 2 318.490 2.744 50 0 DFAALP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccn2C)C1 ZINC000190458879 427114101 /nfs/dbraw/zinc/11/41/01/427114101.db2.gz PMLDEYSOYLZDDU-HNNXBMFYSA-N 2 2 318.490 2.744 50 0 DFAALP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2cccn2C)C1 ZINC000190458879 427114109 /nfs/dbraw/zinc/11/41/09/427114109.db2.gz PMLDEYSOYLZDDU-HNNXBMFYSA-N 2 2 318.490 2.744 50 0 DFAALP COC(=O)[C@@H](C)C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000253416940 427205413 /nfs/dbraw/zinc/20/54/13/427205413.db2.gz VECRSUGDNRASSU-ZDUSSCGKSA-N 2 2 315.417 2.791 50 0 DFAALP c1nc(N2CCC[C@@H]([NH+]3CCCC3)CC2)cc(NCC2CC2)[nH+]1 ZINC000301816686 427827218 /nfs/dbraw/zinc/82/72/18/427827218.db2.gz HLNUPCHMGOGOJS-MRXNPFEDSA-N 2 2 315.465 2.753 50 0 DFAALP c1nc(NCC2CC2)cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)[nH+]1 ZINC000301816686 427827221 /nfs/dbraw/zinc/82/72/21/427827221.db2.gz HLNUPCHMGOGOJS-MRXNPFEDSA-N 2 2 315.465 2.753 50 0 DFAALP c1nc(N2CCC[C@H]([NH+]3CCCC3)CC2)cc(NCC2CC2)[nH+]1 ZINC000301816685 427827228 /nfs/dbraw/zinc/82/72/28/427827228.db2.gz HLNUPCHMGOGOJS-INIZCTEOSA-N 2 2 315.465 2.753 50 0 DFAALP c1nc(NCC2CC2)cc(N2CCC[C@H]([NH+]3CCCC3)CC2)[nH+]1 ZINC000301816685 427827231 /nfs/dbraw/zinc/82/72/31/427827231.db2.gz HLNUPCHMGOGOJS-INIZCTEOSA-N 2 2 315.465 2.753 50 0 DFAALP COC(=O)c1ccccc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000180120037 274006824 /nfs/dbraw/zinc/00/68/24/274006824.db2.gz OFOLJIFTIXWHDA-INIZCTEOSA-N 2 2 313.401 2.643 50 0 DFAALP COC(=O)c1ccccc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000180120037 274006826 /nfs/dbraw/zinc/00/68/26/274006826.db2.gz OFOLJIFTIXWHDA-INIZCTEOSA-N 2 2 313.401 2.643 50 0 DFAALP CC(C)n1cc[nH+]c1CNC(=O)[C@H](C)[N@H+](C)C1CCCCC1 ZINC000534675231 334320704 /nfs/dbraw/zinc/32/07/04/334320704.db2.gz MZJRUUFZYDNWQR-AWEZNQCLSA-N 2 2 306.454 2.733 50 0 DFAALP CC(C)n1cc[nH+]c1CNC(=O)[C@H](C)[N@@H+](C)C1CCCCC1 ZINC000534675231 334320707 /nfs/dbraw/zinc/32/07/07/334320707.db2.gz MZJRUUFZYDNWQR-AWEZNQCLSA-N 2 2 306.454 2.733 50 0 DFAALP CC(C)Cn1c[nH+]cc1CNC(=O)[C@H](C)n1cc[nH+]c1C(C)C ZINC000095531289 185378929 /nfs/dbraw/zinc/37/89/29/185378929.db2.gz WBIGDXKRPSVDRM-AWEZNQCLSA-N 2 2 317.437 2.736 50 0 DFAALP c1ccc2c(c1)C[C@H](C[NH2+]C1CC[NH+](Cc3cccnc3)CC1)O2 ZINC000095419697 185360190 /nfs/dbraw/zinc/36/01/90/185360190.db2.gz UAPHBBHOSNAVCF-LJQANCHMSA-N 2 2 323.440 2.639 50 0 DFAALP Cc1cc(C)c(CNC(=O)N(C)CC[C@H](C)[NH+]2CCCC2)c[nH+]1 ZINC000584884751 398426537 /nfs/dbraw/zinc/42/65/37/398426537.db2.gz UAICXPSDABEETG-INIZCTEOSA-N 2 2 318.465 2.714 50 0 DFAALP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000095996702 282308562 /nfs/dbraw/zinc/30/85/62/282308562.db2.gz HKSVOYVGOJBABE-QGZVFWFLSA-N 2 2 314.433 2.667 50 0 DFAALP CN(C)c1cc[nH+]cc1CNC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000095996702 282308566 /nfs/dbraw/zinc/30/85/66/282308566.db2.gz HKSVOYVGOJBABE-QGZVFWFLSA-N 2 2 314.433 2.667 50 0 DFAALP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)[C@H](C)C1 ZINC000090050204 398476101 /nfs/dbraw/zinc/47/61/01/398476101.db2.gz KZYVQLMELLATGB-HZPDHXFCSA-N 3 2 314.477 2.826 50 0 DFAALP CC[N@H+]1CC[C@@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)[C@H](C)C1 ZINC000090050204 398476104 /nfs/dbraw/zinc/47/61/04/398476104.db2.gz KZYVQLMELLATGB-HZPDHXFCSA-N 3 2 314.477 2.826 50 0 DFAALP CC(C)c1noc([C@@H](C)[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)n1 ZINC000328630997 398567475 /nfs/dbraw/zinc/56/74/75/398567475.db2.gz KAPLXANFTZFSRG-CHWSQXEVSA-N 2 2 303.410 2.645 50 0 DFAALP CC(C)c1noc([C@@H](C)[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)n1 ZINC000328630997 398567480 /nfs/dbraw/zinc/56/74/80/398567480.db2.gz KAPLXANFTZFSRG-CHWSQXEVSA-N 2 2 303.410 2.645 50 0 DFAALP O[C@@H]1CCC[N@@H+](C2CC[NH+](CCSc3ccccc3)CC2)C1 ZINC000072167692 191066427 /nfs/dbraw/zinc/06/64/27/191066427.db2.gz ZSEQAPFQHOIPCZ-QGZVFWFLSA-N 2 2 320.502 2.700 50 0 DFAALP O[C@@H]1CCC[N@H+](C2CC[NH+](CCSc3ccccc3)CC2)C1 ZINC000072167692 191066429 /nfs/dbraw/zinc/06/64/29/191066429.db2.gz ZSEQAPFQHOIPCZ-QGZVFWFLSA-N 2 2 320.502 2.700 50 0 DFAALP C[C@H]1CC[N@H+](Cc2ncnn2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000253396998 186306005 /nfs/dbraw/zinc/30/60/05/186306005.db2.gz SPGRBYHMIVNJFD-RDJZCZTQSA-N 2 2 322.416 2.547 50 0 DFAALP C[C@H]1CC[N@@H+](Cc2ncnn2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000253396998 186306007 /nfs/dbraw/zinc/30/60/07/186306007.db2.gz SPGRBYHMIVNJFD-RDJZCZTQSA-N 2 2 322.416 2.547 50 0 DFAALP Cn1c[nH+]cc1CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000072312037 191119898 /nfs/dbraw/zinc/11/98/98/191119898.db2.gz YQLXERXXQAEVBY-UHFFFAOYSA-N 2 2 320.440 2.891 50 0 DFAALP Cc1cc(Cl)cc(Cl)c1C[NH2+]C[C@]1(O)CCC[NH2+]C1 ZINC000072480658 191181909 /nfs/dbraw/zinc/18/19/09/191181909.db2.gz LQBBBGLKFBSKNQ-AWEZNQCLSA-N 2 2 303.233 2.506 50 0 DFAALP Cc1c(C)n(-c2ccccn2)c2nc[nH+]c(NCCC[NH+](C)C)c12 ZINC000005348474 181233185 /nfs/dbraw/zinc/23/31/85/181233185.db2.gz ZAUWWQPDEDBKMS-UHFFFAOYSA-N 2 2 324.432 2.796 50 0 DFAALP c1cn(C[C@H]2CCC[N@@H+]2Cc2ccc(N3CCCC3)nc2)c[nH+]1 ZINC000188411396 200242438 /nfs/dbraw/zinc/24/24/38/200242438.db2.gz RMUVLZAOCSCNJM-QGZVFWFLSA-N 2 2 311.433 2.543 50 0 DFAALP c1cn(C[C@H]2CCC[N@H+]2Cc2ccc(N3CCCC3)nc2)c[nH+]1 ZINC000188411396 200242439 /nfs/dbraw/zinc/24/24/39/200242439.db2.gz RMUVLZAOCSCNJM-QGZVFWFLSA-N 2 2 311.433 2.543 50 0 DFAALP CCn1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000282818558 217271473 /nfs/dbraw/zinc/27/14/73/217271473.db2.gz TZOYBYVFUPNWPA-INIZCTEOSA-N 2 2 313.449 2.815 50 0 DFAALP CCn1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000282818558 217271476 /nfs/dbraw/zinc/27/14/76/217271476.db2.gz TZOYBYVFUPNWPA-INIZCTEOSA-N 2 2 313.449 2.815 50 0 DFAALP COc1ccc(C[NH2+]CC[NH2+]Cc2ccc(OC)cc2)cc1 ZINC000019366581 182118772 /nfs/dbraw/zinc/11/87/72/182118772.db2.gz AVHNOBYTCDKTEV-UHFFFAOYSA-N 2 2 300.402 2.583 50 0 DFAALP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2C)C1 ZINC000019656997 182134048 /nfs/dbraw/zinc/13/40/48/182134048.db2.gz NKZQMYVYOHOEDA-INIZCTEOSA-N 2 2 323.444 2.990 50 0 DFAALP Cc1[nH+]ccn1C[C@H]1CCC[N@H+](Cc2nc3ccccc3n2C)C1 ZINC000019656997 182134049 /nfs/dbraw/zinc/13/40/49/182134049.db2.gz NKZQMYVYOHOEDA-INIZCTEOSA-N 2 2 323.444 2.990 50 0 DFAALP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(Oc2ncccn2)c1 ZINC000022937034 182342540 /nfs/dbraw/zinc/34/25/40/182342540.db2.gz BRPRXAASTIAXEN-INIZCTEOSA-N 2 2 312.417 2.843 50 0 DFAALP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(Oc2ncccn2)c1 ZINC000022937034 182342542 /nfs/dbraw/zinc/34/25/42/182342542.db2.gz BRPRXAASTIAXEN-INIZCTEOSA-N 2 2 312.417 2.843 50 0 DFAALP O[C@H](C[NH+]1CCC([NH+]2CCCC2)CC1)c1ccccc1Cl ZINC000051952973 425883606 /nfs/dbraw/zinc/88/36/06/425883606.db2.gz PRTQWVBRNVYZBE-QGZVFWFLSA-N 2 2 308.853 2.934 50 0 DFAALP Cc1ccn2cc(CNC(=O)[C@@H](c3ccccc3)[NH+](C)C)[nH+]c2c1 ZINC000058393977 184112599 /nfs/dbraw/zinc/11/25/99/184112599.db2.gz LUGONILRDVGWHC-GOSISDBHSA-N 2 2 322.412 2.562 50 0 DFAALP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](Cc3noc(C4CC4)n3)C2)c1 ZINC000065590147 184370016 /nfs/dbraw/zinc/37/00/16/184370016.db2.gz ZQRWXONOEXOHEP-ZDUSSCGKSA-N 2 2 313.405 2.584 50 0 DFAALP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3noc(C4CC4)n3)C2)c1 ZINC000065590147 184370018 /nfs/dbraw/zinc/37/00/18/184370018.db2.gz ZQRWXONOEXOHEP-ZDUSSCGKSA-N 2 2 313.405 2.584 50 0 DFAALP COc1ccc2[nH]c(CC[N@H+](C)Cc3c(C)noc3C)[nH+]c2c1 ZINC000215677074 542873283 /nfs/dbraw/zinc/87/32/83/542873283.db2.gz LQNZZTDQQRFJRF-UHFFFAOYSA-N 2 2 314.389 2.851 50 0 DFAALP COc1ccc2[nH]c(CC[N@@H+](C)Cc3c(C)noc3C)[nH+]c2c1 ZINC000215677074 542873286 /nfs/dbraw/zinc/87/32/86/542873286.db2.gz LQNZZTDQQRFJRF-UHFFFAOYSA-N 2 2 314.389 2.851 50 0 DFAALP C[C@@H](c1ccc(C(=O)NCCc2c[nH+]c[nH]2)o1)[NH+]1CCCCC1 ZINC000055153144 425892438 /nfs/dbraw/zinc/89/24/38/425892438.db2.gz XQHBYMNZUFERNA-ZDUSSCGKSA-N 2 2 316.405 2.522 50 0 DFAALP C[C@@H](c1ccc(C(=O)NCCc2c[nH]c[nH+]2)o1)[NH+]1CCCCC1 ZINC000055153144 425892439 /nfs/dbraw/zinc/89/24/39/425892439.db2.gz XQHBYMNZUFERNA-ZDUSSCGKSA-N 2 2 316.405 2.522 50 0 DFAALP c1coc(C[NH+]2CCC([N@@H+]3CCC[C@@H](c4cc[nH]n4)C3)CC2)c1 ZINC000670451121 544042788 /nfs/dbraw/zinc/04/27/88/544042788.db2.gz VBGQNWHWBKXAEB-OAHLLOKOSA-N 2 2 314.433 2.847 50 0 DFAALP c1coc(C[NH+]2CCC([N@H+]3CCC[C@@H](c4cc[nH]n4)C3)CC2)c1 ZINC000670451121 544042789 /nfs/dbraw/zinc/04/27/89/544042789.db2.gz VBGQNWHWBKXAEB-OAHLLOKOSA-N 2 2 314.433 2.847 50 0 DFAALP O[C@H](C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1)c1ccccc1 ZINC000299749904 229393059 /nfs/dbraw/zinc/39/30/59/229393059.db2.gz LZLJUUHLYUCBRS-VQIMIIECSA-N 2 2 311.429 2.742 50 0 DFAALP O[C@H](C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1)c1ccccc1 ZINC000299749904 229393065 /nfs/dbraw/zinc/39/30/65/229393065.db2.gz LZLJUUHLYUCBRS-VQIMIIECSA-N 2 2 311.429 2.742 50 0 DFAALP c1cn(CCC[N@H+](Cc2cccnc2)Cc2ccccn2)c[nH+]1 ZINC000055413042 425893632 /nfs/dbraw/zinc/89/36/32/425893632.db2.gz DSHJEATUVKDVBU-UHFFFAOYSA-N 2 2 307.401 2.766 50 0 DFAALP c1cn(CCC[N@@H+](Cc2cccnc2)Cc2ccccn2)c[nH+]1 ZINC000055413042 425893633 /nfs/dbraw/zinc/89/36/33/425893633.db2.gz DSHJEATUVKDVBU-UHFFFAOYSA-N 2 2 307.401 2.766 50 0 DFAALP COc1ccc2[nH]c(C[NH2+]C3CC[NH+](CC(C)C)CC3)nc2c1 ZINC000067822054 425913557 /nfs/dbraw/zinc/91/35/57/425913557.db2.gz KWRDSKDQIANMAP-UHFFFAOYSA-N 2 2 316.449 2.782 50 0 DFAALP CCc1[nH]c(C[N@@H+]2CCC[C@H](CNC(=O)C=C(C)C)C2)c(C)[nH+]1 ZINC000067834288 425913669 /nfs/dbraw/zinc/91/36/69/425913669.db2.gz QMSBRQXNULYXMC-OAHLLOKOSA-N 2 2 318.465 2.575 50 0 DFAALP CCc1[nH]c(C[N@H+]2CCC[C@H](CNC(=O)C=C(C)C)C2)c(C)[nH+]1 ZINC000067834288 425913670 /nfs/dbraw/zinc/91/36/70/425913670.db2.gz QMSBRQXNULYXMC-OAHLLOKOSA-N 2 2 318.465 2.575 50 0 DFAALP CN1CCc2c1[nH+]c1ccccc1c2NC(=O)C[NH+]1CCCCC1 ZINC000000198572 425543814 /nfs/dbraw/zinc/54/38/14/425543814.db2.gz SCMLVFMPQANNDH-UHFFFAOYSA-N 2 2 324.428 2.652 50 0 DFAALP CC[NH+](CC)CC(=O)Nc1cc(N(C)C)[nH+]c2ccccc12 ZINC000000492817 425564931 /nfs/dbraw/zinc/56/49/31/425564931.db2.gz AIRTUKCRWWAWJD-UHFFFAOYSA-N 2 2 300.406 2.581 50 0 DFAALP CCOc1ccc(Br)cc1C[NH2+]CCC[NH+](C)C ZINC000008324504 425666277 /nfs/dbraw/zinc/66/62/77/425666277.db2.gz KSZVYHCCDWSIJW-UHFFFAOYSA-N 2 2 315.255 2.889 50 0 DFAALP C[NH+]1CCC([N@@H+]2CCc3onc(-c4cccc(F)c4)c3C2)CC1 ZINC000012760986 425736748 /nfs/dbraw/zinc/73/67/48/425736748.db2.gz ODDILKOIQKUZRE-UHFFFAOYSA-N 2 2 315.392 2.933 50 0 DFAALP C[NH+]1CCC([N@H+]2CCc3onc(-c4cccc(F)c4)c3C2)CC1 ZINC000012760986 425736752 /nfs/dbraw/zinc/73/67/52/425736752.db2.gz ODDILKOIQKUZRE-UHFFFAOYSA-N 2 2 315.392 2.933 50 0 DFAALP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cc(Cl)c(Cl)cc1Cl ZINC000016981838 425785398 /nfs/dbraw/zinc/78/53/98/425785398.db2.gz IQDMZFSZJBZPLO-UHFFFAOYSA-N 2 2 320.611 2.832 50 0 DFAALP Cc1[nH+]cc(C[NH2+][C@H]2CCCN(Cc3ccccc3F)C2)n1C ZINC000020540241 425792663 /nfs/dbraw/zinc/79/26/63/425792663.db2.gz QDJILIFAWBXPTN-INIZCTEOSA-N 2 2 316.424 2.622 50 0 DFAALP c1cn(-c2ccc(C[N@H+]3CCCC[C@H]3Cn3cncn3)cc2)c[nH+]1 ZINC000071876256 425997312 /nfs/dbraw/zinc/99/73/12/425997312.db2.gz VNPUYMRKDIFKAD-SFHVURJKSA-N 2 2 322.416 2.519 50 0 DFAALP c1cn(-c2ccc(C[N@@H+]3CCCC[C@H]3Cn3cncn3)cc2)c[nH+]1 ZINC000071876256 425997315 /nfs/dbraw/zinc/99/73/15/425997315.db2.gz VNPUYMRKDIFKAD-SFHVURJKSA-N 2 2 322.416 2.519 50 0 DFAALP C[C@H]1C[N@@H+](C2CC[NH+](CCSc3ccccc3)CC2)CCO1 ZINC000071910670 426003501 /nfs/dbraw/zinc/00/35/01/426003501.db2.gz ZMZBGOVNGBNARY-INIZCTEOSA-N 2 2 320.502 2.964 50 0 DFAALP C[C@H]1C[N@H+](C2CC[NH+](CCSc3ccccc3)CC2)CCO1 ZINC000071910670 426003503 /nfs/dbraw/zinc/00/35/03/426003503.db2.gz ZMZBGOVNGBNARY-INIZCTEOSA-N 2 2 320.502 2.964 50 0 DFAALP C[NH+](C)[C@H]1CCCN(C(=O)c2ccccc2-c2[nH]cc[nH+]2)CC1 ZINC000072149635 426010467 /nfs/dbraw/zinc/01/04/67/426010467.db2.gz NOFUBZQSDZOSNH-AWEZNQCLSA-N 2 2 312.417 2.633 50 0 DFAALP CCOCC[N@@H+]1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095370448 426369647 /nfs/dbraw/zinc/36/96/47/426369647.db2.gz LWBFFVRNWVXRAM-AWEZNQCLSA-N 2 2 320.462 2.604 50 0 DFAALP CCOCC[N@H+]1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095370448 426369649 /nfs/dbraw/zinc/36/96/49/426369649.db2.gz LWBFFVRNWVXRAM-AWEZNQCLSA-N 2 2 320.462 2.604 50 0 DFAALP CCC[C@@H]1CN(Cc2c(C)[nH+]c3ccccn32)C[C@H]1[NH+](C)C ZINC000095502574 426373119 /nfs/dbraw/zinc/37/31/19/426373119.db2.gz BYDQHYKLQLBCHH-NVXWUHKLSA-N 2 2 300.450 2.805 50 0 DFAALP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CO)o2)CC[N@@H+]1Cc1ccccc1 ZINC000096456807 426431272 /nfs/dbraw/zinc/43/12/72/426431272.db2.gz QHLLEJNLRGXVNV-WBVHZDCISA-N 2 2 314.429 2.915 50 0 DFAALP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CO)o2)CC[N@H+]1Cc1ccccc1 ZINC000096456807 426431275 /nfs/dbraw/zinc/43/12/75/426431275.db2.gz QHLLEJNLRGXVNV-WBVHZDCISA-N 2 2 314.429 2.915 50 0 DFAALP OC[C@H]1C=C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000097081097 426446542 /nfs/dbraw/zinc/44/65/42/426446542.db2.gz ASYHBAIIQMCLGP-WMLDXEAASA-N 2 2 320.864 2.831 50 0 DFAALP CC(C)(C)n1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)cn1 ZINC000097159052 426455139 /nfs/dbraw/zinc/45/51/39/426455139.db2.gz AMBZRIJNBNBSPA-UHFFFAOYSA-N 2 2 310.405 2.509 50 0 DFAALP Cc1noc(C)c1C[N@@H+]1CC[C@H](CNc2ccc(C)c[nH+]2)C1 ZINC000097200760 426457644 /nfs/dbraw/zinc/45/76/44/426457644.db2.gz DTTGEWRUMCWUIS-OAHLLOKOSA-N 2 2 300.406 2.929 50 0 DFAALP Cc1noc(C)c1C[N@H+]1CC[C@H](CNc2ccc(C)c[nH+]2)C1 ZINC000097200760 426457647 /nfs/dbraw/zinc/45/76/47/426457647.db2.gz DTTGEWRUMCWUIS-OAHLLOKOSA-N 2 2 300.406 2.929 50 0 DFAALP C[C@H](c1ccsc1)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000097378922 426465296 /nfs/dbraw/zinc/46/52/96/426465296.db2.gz SVUPCEGYEPCIGZ-OAHLLOKOSA-N 2 2 304.463 2.714 50 0 DFAALP Cc1nc2ccccc2nc1C[N@H+]1C[C@H]2CC[C@@H](C1)[C@H]2[NH+](C)C ZINC000101998791 426487451 /nfs/dbraw/zinc/48/74/51/426487451.db2.gz PTHCMDZSDGTNPU-QWHZDKJVSA-N 2 2 310.445 2.710 50 0 DFAALP Cc1nc2ccccc2nc1C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@H]2[NH+](C)C ZINC000101998791 426487452 /nfs/dbraw/zinc/48/74/52/426487452.db2.gz PTHCMDZSDGTNPU-QWHZDKJVSA-N 2 2 310.445 2.710 50 0 DFAALP Cc1c[nH]c(CN(C)C(=O)C2([NH+]3CCCCC3)CCCCC2)[nH+]1 ZINC000215260476 426550602 /nfs/dbraw/zinc/55/06/02/426550602.db2.gz NAASLCJMNBRAPJ-UHFFFAOYSA-N 2 2 318.465 2.865 50 0 DFAALP C[C@H](CCc1ccco1)[NH2+][C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000275569898 426871756 /nfs/dbraw/zinc/87/17/56/426871756.db2.gz OHOBMVQCIJFSRK-JKIFEVAISA-N 2 2 303.406 2.844 50 0 DFAALP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccn(C)c2)C1 ZINC000275727112 426905894 /nfs/dbraw/zinc/90/58/94/426905894.db2.gz OSMWPJQSCPFKON-INIZCTEOSA-N 2 2 318.490 2.744 50 0 DFAALP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccn(C)c2)C1 ZINC000275727112 426905901 /nfs/dbraw/zinc/90/59/01/426905901.db2.gz OSMWPJQSCPFKON-INIZCTEOSA-N 2 2 318.490 2.744 50 0 DFAALP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccn(C)c2)C1 ZINC000275727112 426905907 /nfs/dbraw/zinc/90/59/07/426905907.db2.gz OSMWPJQSCPFKON-INIZCTEOSA-N 2 2 318.490 2.744 50 0 DFAALP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccn(C)c2)C1 ZINC000275727112 426905913 /nfs/dbraw/zinc/90/59/13/426905913.db2.gz OSMWPJQSCPFKON-INIZCTEOSA-N 2 2 318.490 2.744 50 0 DFAALP C[C@H](C(=O)NC1CCC(C)CC1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247487532 426944367 /nfs/dbraw/zinc/94/43/67/426944367.db2.gz KQQOOWWYOKGORK-GPQLOAJWSA-N 2 2 323.525 2.876 50 0 DFAALP C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247487532 426944373 /nfs/dbraw/zinc/94/43/73/426944373.db2.gz KQQOOWWYOKGORK-GPQLOAJWSA-N 2 2 323.525 2.876 50 0 DFAALP C[C@H](C(=O)NC1CCC(C)CC1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247487532 426944379 /nfs/dbraw/zinc/94/43/79/426944379.db2.gz KQQOOWWYOKGORK-GPQLOAJWSA-N 2 2 323.525 2.876 50 0 DFAALP C[C@H](C(=O)NC1CCC(C)CC1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247487532 426944383 /nfs/dbraw/zinc/94/43/83/426944383.db2.gz KQQOOWWYOKGORK-GPQLOAJWSA-N 2 2 323.525 2.876 50 0 DFAALP Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc[nH+]1 ZINC000248888706 427058521 /nfs/dbraw/zinc/05/85/21/427058521.db2.gz ANHSCVCCYGHMIS-SJORKVTESA-N 2 2 310.401 2.957 50 0 DFAALP Cc1cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc[nH+]1 ZINC000248888706 427058527 /nfs/dbraw/zinc/05/85/27/427058527.db2.gz ANHSCVCCYGHMIS-SJORKVTESA-N 2 2 310.401 2.957 50 0 DFAALP COc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(OC)c1OC ZINC000277473651 427213229 /nfs/dbraw/zinc/21/32/29/427213229.db2.gz MFOZOYWQVOYNQX-HNNXBMFYSA-N 2 2 322.449 2.629 50 0 DFAALP COc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(OC)c1OC ZINC000277473651 427213232 /nfs/dbraw/zinc/21/32/32/427213232.db2.gz MFOZOYWQVOYNQX-HNNXBMFYSA-N 2 2 322.449 2.629 50 0 DFAALP CCCn1cc[nH+]c1CNC(=O)[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000092028457 332117943 /nfs/dbraw/zinc/11/79/43/332117943.db2.gz OHLALQPFXDXANI-QGZVFWFLSA-N 2 2 314.433 2.521 50 0 DFAALP Cc1ccc([C@H](C(=O)NCc2cc(C)[nH+]c(C)c2)[NH+](C)C)cc1 ZINC000095366001 332169494 /nfs/dbraw/zinc/16/94/94/332169494.db2.gz YKOFHTAVKIEQBL-GOSISDBHSA-N 2 2 311.429 2.926 50 0 DFAALP C[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328647563 533787426 /nfs/dbraw/zinc/78/74/26/533787426.db2.gz UBDHSRJSSJXGBF-MNEFBYGVSA-N 2 2 317.477 2.869 50 0 DFAALP C[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328647563 533787430 /nfs/dbraw/zinc/78/74/30/533787430.db2.gz UBDHSRJSSJXGBF-MNEFBYGVSA-N 2 2 317.477 2.869 50 0 DFAALP Fc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc3c[nH]nc3c2)cc1 ZINC000685940013 546412213 /nfs/dbraw/zinc/41/22/13/546412213.db2.gz KIYDVBLDCKDQPF-MJGOQNOKSA-N 2 2 324.403 2.937 50 0 DFAALP CC(C)c1nn(C)c(Cl)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000069679020 190805256 /nfs/dbraw/zinc/80/52/56/190805256.db2.gz PCZRVPGDHGWNKN-LBPRGKRZSA-N 2 2 310.873 2.771 50 0 DFAALP CC(C)c1nn(C)c(Cl)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000069679020 190805258 /nfs/dbraw/zinc/80/52/58/190805258.db2.gz PCZRVPGDHGWNKN-LBPRGKRZSA-N 2 2 310.873 2.771 50 0 DFAALP Fc1ccccc1-c1noc2c1C[N@@H+](C1CC[NH2+]CC1)CC2 ZINC000067894328 283029001 /nfs/dbraw/zinc/02/90/01/283029001.db2.gz MHMCLWLEAFZISC-UHFFFAOYSA-N 2 2 301.365 2.591 50 0 DFAALP Fc1ccccc1-c1noc2c1C[N@H+](C1CC[NH2+]CC1)CC2 ZINC000067894328 283029002 /nfs/dbraw/zinc/02/90/02/283029002.db2.gz MHMCLWLEAFZISC-UHFFFAOYSA-N 2 2 301.365 2.591 50 0 DFAALP COC(=O)c1ccc([C@H](C)[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)o1 ZINC000091595321 193077613 /nfs/dbraw/zinc/07/76/13/193077613.db2.gz IUSHTVIASZGRSU-JSGCOSHPSA-N 2 2 316.357 2.676 50 0 DFAALP COC(=O)c1ccc([C@H](C)[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)o1 ZINC000091595321 193077616 /nfs/dbraw/zinc/07/76/16/193077616.db2.gz IUSHTVIASZGRSU-JSGCOSHPSA-N 2 2 316.357 2.676 50 0 DFAALP CN(Cc1[nH]cc[nH+]1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000019770147 182144155 /nfs/dbraw/zinc/14/41/55/182144155.db2.gz VSAKQLUEESPRGE-OAHLLOKOSA-N 2 2 302.397 2.645 50 0 DFAALP CN(Cc1[nH]cc[nH+]1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000019770147 182144157 /nfs/dbraw/zinc/14/41/57/182144157.db2.gz VSAKQLUEESPRGE-OAHLLOKOSA-N 2 2 302.397 2.645 50 0 DFAALP C[NH+]1CCC([N@H+](CCO)Cc2csc3ccccc23)CC1 ZINC000105928030 194172759 /nfs/dbraw/zinc/17/27/59/194172759.db2.gz FFKIQNRBARXTRW-UHFFFAOYSA-N 2 2 304.459 2.790 50 0 DFAALP C[NH+]1CCC([N@@H+](CCO)Cc2csc3ccccc23)CC1 ZINC000105928030 194172761 /nfs/dbraw/zinc/17/27/61/194172761.db2.gz FFKIQNRBARXTRW-UHFFFAOYSA-N 2 2 304.459 2.790 50 0 DFAALP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1OC ZINC000106366985 194202756 /nfs/dbraw/zinc/20/27/56/194202756.db2.gz NTAYWEYXRUGVHP-LBPRGKRZSA-N 2 2 324.852 2.931 50 0 DFAALP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(Cl)c1OC ZINC000106366985 194202758 /nfs/dbraw/zinc/20/27/58/194202758.db2.gz NTAYWEYXRUGVHP-LBPRGKRZSA-N 2 2 324.852 2.931 50 0 DFAALP Cc1c[nH+]ccc1NC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000156925072 197151246 /nfs/dbraw/zinc/15/12/46/197151246.db2.gz HDKQMEBGGKZEKC-HNNXBMFYSA-N 2 2 302.422 2.730 50 0 DFAALP CCn1c[nH+]cc1CN1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000670442150 544041504 /nfs/dbraw/zinc/04/15/04/544041504.db2.gz SDXPQJWRDCVGTH-UHFFFAOYSA-N 2 2 312.461 2.999 50 0 DFAALP CCn1c[nH+]cc1CN1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000670442150 544041508 /nfs/dbraw/zinc/04/15/08/544041508.db2.gz SDXPQJWRDCVGTH-UHFFFAOYSA-N 2 2 312.461 2.999 50 0 DFAALP C[N@H+](C1CC[NH+](C)CC1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000000220725 425546525 /nfs/dbraw/zinc/54/65/25/425546525.db2.gz AJQMAKJGEPQDDG-UHFFFAOYSA-N 3 2 315.505 2.720 50 0 DFAALP C[N@@H+](C1CC[NH+](C)CC1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000000220725 425546530 /nfs/dbraw/zinc/54/65/30/425546530.db2.gz AJQMAKJGEPQDDG-UHFFFAOYSA-N 3 2 315.505 2.720 50 0 DFAALP COc1cccc(C[NH+]2CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000012363334 425723038 /nfs/dbraw/zinc/72/30/38/425723038.db2.gz VKOHRYRBRDSBHI-IYBDPMFKSA-N 2 2 318.461 2.769 50 0 DFAALP COc1cccc(C[NH+]2CCC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000012363334 425723041 /nfs/dbraw/zinc/72/30/41/425723041.db2.gz VKOHRYRBRDSBHI-IYBDPMFKSA-N 2 2 318.461 2.769 50 0 DFAALP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Br)cc1F ZINC000035275112 425843926 /nfs/dbraw/zinc/84/39/26/425843926.db2.gz AVTOKKIBCUALNR-SNVBAGLBSA-N 2 2 312.186 2.963 50 0 DFAALP Cc1ccc(-c2ccnc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2)c(C)[nH+]1 ZINC000071388711 425986172 /nfs/dbraw/zinc/98/61/72/425986172.db2.gz YJGXEFVVYMPCKV-MRXNPFEDSA-N 2 2 323.444 2.830 50 0 DFAALP Cc1ccc(-c2ccnc(N3CC[N@H+]4CCCC[C@@H]4C3)n2)c(C)[nH+]1 ZINC000071388711 425986176 /nfs/dbraw/zinc/98/61/76/425986176.db2.gz YJGXEFVVYMPCKV-MRXNPFEDSA-N 2 2 323.444 2.830 50 0 DFAALP Cn1cc([C@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000069769917 425956832 /nfs/dbraw/zinc/95/68/32/425956832.db2.gz UJOYDPFDJXYLCQ-GOSISDBHSA-N 2 2 307.401 2.943 50 0 DFAALP Cn1cc([C@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000069769917 425956833 /nfs/dbraw/zinc/95/68/33/425956833.db2.gz UJOYDPFDJXYLCQ-GOSISDBHSA-N 2 2 307.401 2.943 50 0 DFAALP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000108367563 426013978 /nfs/dbraw/zinc/01/39/78/426013978.db2.gz OUVMWURPELCGPJ-TZMCWYRMSA-N 2 2 319.430 2.814 50 0 DFAALP COC(=O)c1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000108367563 426013980 /nfs/dbraw/zinc/01/39/80/426013980.db2.gz OUVMWURPELCGPJ-TZMCWYRMSA-N 2 2 319.430 2.814 50 0 DFAALP CC[N@@H+](Cc1nnc(C)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108461 426100067 /nfs/dbraw/zinc/10/00/67/426100067.db2.gz DOAFFACAAGCSIR-UHFFFAOYSA-N 2 2 315.421 2.512 50 0 DFAALP CC[N@H+](Cc1nnc(C)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108461 426100071 /nfs/dbraw/zinc/10/00/71/426100071.db2.gz DOAFFACAAGCSIR-UHFFFAOYSA-N 2 2 315.421 2.512 50 0 DFAALP CSc1ccccc1C[N@@H+]1CC[C@](O)(C[NH+]2CCCCC2)C1 ZINC000077456233 426134816 /nfs/dbraw/zinc/13/48/16/426134816.db2.gz CBNMGWUFBHZNLI-SFHVURJKSA-N 2 2 320.502 2.831 50 0 DFAALP CSc1ccccc1C[N@H+]1CC[C@](O)(C[NH+]2CCCCC2)C1 ZINC000077456233 426134818 /nfs/dbraw/zinc/13/48/18/426134818.db2.gz CBNMGWUFBHZNLI-SFHVURJKSA-N 2 2 320.502 2.831 50 0 DFAALP CC(C)[NH+]1CCC(c2nnc(C[NH+]3CCCC3)n2C2CC2)CC1 ZINC000077471011 426135500 /nfs/dbraw/zinc/13/55/00/426135500.db2.gz VYBPVWGEKJXUPO-UHFFFAOYSA-N 2 2 317.481 2.797 50 0 DFAALP O[C@@]1(C[NH+]2CCCCC2)CC[N@H+](C/C=C/c2ccccc2)C1 ZINC000077504494 426136797 /nfs/dbraw/zinc/13/67/97/426136797.db2.gz HEVJYQPPUVRGIL-QPGLYAHGSA-N 2 2 300.446 2.623 50 0 DFAALP O[C@@]1(C[NH+]2CCCCC2)CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000077504494 426136800 /nfs/dbraw/zinc/13/68/00/426136800.db2.gz HEVJYQPPUVRGIL-QPGLYAHGSA-N 2 2 300.446 2.623 50 0 DFAALP c1cn(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c[nH+]1 ZINC000131745791 426165784 /nfs/dbraw/zinc/16/57/84/426165784.db2.gz XKMMBROULDIIDK-PMACEKPBSA-N 3 2 324.472 2.870 50 0 DFAALP c1cn(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c[nH+]1 ZINC000131745791 426165787 /nfs/dbraw/zinc/16/57/87/426165787.db2.gz XKMMBROULDIIDK-PMACEKPBSA-N 3 2 324.472 2.870 50 0 DFAALP c1cn(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c[nH+]1 ZINC000131745791 426165789 /nfs/dbraw/zinc/16/57/89/426165789.db2.gz XKMMBROULDIIDK-PMACEKPBSA-N 3 2 324.472 2.870 50 0 DFAALP c1cn(CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c[nH+]1 ZINC000131745791 426165792 /nfs/dbraw/zinc/16/57/92/426165792.db2.gz XKMMBROULDIIDK-PMACEKPBSA-N 3 2 324.472 2.870 50 0 DFAALP CCCn1c2ccccc2nc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000121204032 426324478 /nfs/dbraw/zinc/32/44/78/426324478.db2.gz XVKTUDLZSFDRCY-HNNXBMFYSA-N 2 2 300.450 2.878 50 0 DFAALP CCCn1c2ccccc2nc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000121204032 426324480 /nfs/dbraw/zinc/32/44/80/426324480.db2.gz XVKTUDLZSFDRCY-HNNXBMFYSA-N 2 2 300.450 2.878 50 0 DFAALP C[C@@H](Cn1cc[nH+]c1)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000095369560 426369299 /nfs/dbraw/zinc/36/92/99/426369299.db2.gz CUDZXCZUNRSHLN-ZDUSSCGKSA-N 2 2 319.372 2.513 50 0 DFAALP CCCCSc1ncc(C[N@@H+]2CCc3[nH+]c[nH]c3C2)cn1 ZINC000095384330 426370796 /nfs/dbraw/zinc/37/07/96/426370796.db2.gz JJCWVNJAOWRYRH-UHFFFAOYSA-N 2 2 303.435 2.650 50 0 DFAALP CCCCSc1ncc(C[N@H+]2CCc3[nH+]c[nH]c3C2)cn1 ZINC000095384330 426370799 /nfs/dbraw/zinc/37/07/99/426370799.db2.gz JJCWVNJAOWRYRH-UHFFFAOYSA-N 2 2 303.435 2.650 50 0 DFAALP C[NH+]1CCC(CNc2ncccc2F)([NH+]2CCCCC2)CC1 ZINC000097103468 426449183 /nfs/dbraw/zinc/44/91/83/426449183.db2.gz WXNIDMAHLYWAQX-UHFFFAOYSA-N 2 2 306.429 2.583 50 0 DFAALP Cc1cccc(NC[C@H]2CC[N@H+](Cc3noc(C4CC4)n3)C2)[nH+]1 ZINC000097200554 426458093 /nfs/dbraw/zinc/45/80/93/426458093.db2.gz XHHXKHBTLZTSOX-CYBMUJFWSA-N 2 2 313.405 2.584 50 0 DFAALP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3noc(C4CC4)n3)C2)[nH+]1 ZINC000097200554 426458096 /nfs/dbraw/zinc/45/80/96/426458096.db2.gz XHHXKHBTLZTSOX-CYBMUJFWSA-N 2 2 313.405 2.584 50 0 DFAALP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000097376975 426465796 /nfs/dbraw/zinc/46/57/96/426465796.db2.gz QKVHWKKLSWRAMQ-OAHLLOKOSA-N 2 2 311.429 2.810 50 0 DFAALP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000097376975 426465799 /nfs/dbraw/zinc/46/57/99/426465799.db2.gz QKVHWKKLSWRAMQ-OAHLLOKOSA-N 2 2 311.429 2.810 50 0 DFAALP COc1ccc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)c(F)c1 ZINC000097660451 426471856 /nfs/dbraw/zinc/47/18/56/426471856.db2.gz XCLQYJDBKSMFMP-UHFFFAOYSA-N 2 2 315.392 2.860 50 0 DFAALP c1nn(-c2ccccc2)cc1C[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000097731816 426473125 /nfs/dbraw/zinc/47/31/25/426473125.db2.gz WFBDIMWNZVLRRE-UHFFFAOYSA-N 2 2 321.428 2.737 50 0 DFAALP Cc1ccc([C@H](C(=O)NCc2c[nH+]c(C)cc2C)[NH+](C)C)cc1 ZINC000223739757 426588798 /nfs/dbraw/zinc/58/87/98/426588798.db2.gz MPPPTLRDIGWBCI-GOSISDBHSA-N 2 2 311.429 2.926 50 0 DFAALP C[C@H](CCc1ccco1)[NH2+][C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000275569894 426872119 /nfs/dbraw/zinc/87/21/19/426872119.db2.gz OHOBMVQCIJFSRK-CPUCHLNUSA-N 2 2 303.406 2.844 50 0 DFAALP C[N@H+](Cc1cccs1)Cc1nnc([C@H]2C[C@H]([NH3+])C2)n1C1CC1 ZINC000252539906 427189062 /nfs/dbraw/zinc/18/90/62/427189062.db2.gz ORCIICCTRJAEAG-HAQNSBGRSA-N 2 2 317.462 2.511 50 0 DFAALP C[N@@H+](Cc1cccs1)Cc1nnc([C@H]2C[C@H]([NH3+])C2)n1C1CC1 ZINC000252539906 427189065 /nfs/dbraw/zinc/18/90/65/427189065.db2.gz ORCIICCTRJAEAG-HAQNSBGRSA-N 2 2 317.462 2.511 50 0 DFAALP COC(=O)[C@H](C)C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000253416939 427204955 /nfs/dbraw/zinc/20/49/55/427204955.db2.gz VECRSUGDNRASSU-CYBMUJFWSA-N 2 2 315.417 2.791 50 0 DFAALP C[NH+](C)[C@H](CNC(=[NH2+])NCc1ccccc1)c1cccs1 ZINC000057752141 276788645 /nfs/dbraw/zinc/78/86/45/276788645.db2.gz QLUQJVFDEIDEOS-CQSZACIVSA-N 2 2 302.447 2.665 50 0 DFAALP CC(C)c1cc(N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000089939183 278019135 /nfs/dbraw/zinc/01/91/35/278019135.db2.gz RMOJQTLLOGNZTJ-HUUCEWRRSA-N 2 2 320.481 2.615 50 0 DFAALP CC(C)c1cc(N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000089939183 278019137 /nfs/dbraw/zinc/01/91/37/278019137.db2.gz RMOJQTLLOGNZTJ-HUUCEWRRSA-N 2 2 320.481 2.615 50 0 DFAALP Cc1cc(F)ccc1N1CCC([NH2+]CCc2[nH]cc[nH+]2)CC1 ZINC000534629977 334305484 /nfs/dbraw/zinc/30/54/84/334305484.db2.gz IRTFTDUIAGERLW-UHFFFAOYSA-N 2 2 302.397 2.658 50 0 DFAALP c1cn(CC2(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)CC2)c[nH+]1 ZINC000534657589 334314575 /nfs/dbraw/zinc/31/45/75/334314575.db2.gz XBAXCBVIGSRUGW-UHFFFAOYSA-N 3 2 324.472 2.918 50 0 DFAALP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(N2CCOC2=O)cc1 ZINC000095419073 185359932 /nfs/dbraw/zinc/35/99/32/185359932.db2.gz ZJAVIPJPSIXCDT-CQSZACIVSA-N 2 2 314.389 2.581 50 0 DFAALP C[C@H](CCn1cccn1)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC000584891016 398427930 /nfs/dbraw/zinc/42/79/30/398427930.db2.gz YKQDLGKUZPAKFH-OAHLLOKOSA-N 2 2 300.406 2.600 50 0 DFAALP C[NH+]1CCC(NC[C@@H](c2ccccc2F)[NH+]2CCCC2)CC1 ZINC000584893240 398428110 /nfs/dbraw/zinc/42/81/10/398428110.db2.gz VRABMQAIBQVHLC-SFHVURJKSA-N 2 2 305.441 2.646 50 0 DFAALP C[NH+]1CCC([NH2+]C[C@@H](c2ccccc2F)N2CCCC2)CC1 ZINC000584893240 398428114 /nfs/dbraw/zinc/42/81/14/398428114.db2.gz VRABMQAIBQVHLC-SFHVURJKSA-N 2 2 305.441 2.646 50 0 DFAALP CC[C@H](NC(=O)N(C)CC[NH+]1CCCCCC1)c1[nH]cc(C)[nH+]1 ZINC000584892476 398428223 /nfs/dbraw/zinc/42/82/23/398428223.db2.gz CLDQYEOEXOQONV-HNNXBMFYSA-N 2 2 321.469 2.687 50 0 DFAALP OC[C@@H]([NH2+]C1CC[NH+](Cc2ccco2)CC1)c1ccc(F)cc1 ZINC000584902613 398430915 /nfs/dbraw/zinc/43/09/15/398430915.db2.gz VFWSMTCHXHXGLN-GOSISDBHSA-N 2 2 318.392 2.706 50 0 DFAALP Cn1cc(C[NH2+]C[C@@H]2CCCn3cc(C(C)(C)C)[nH+]c32)cn1 ZINC000089725158 398464454 /nfs/dbraw/zinc/46/44/54/398464454.db2.gz SGPCZAZGYREKCR-AWEZNQCLSA-N 2 2 301.438 2.581 50 0 DFAALP C[N@@H+]1CC[C@@H](C[NH2+][C@@H](C(N)=O)c2ccccc2)[C@@H]1c1cccnc1 ZINC000328628627 398567896 /nfs/dbraw/zinc/56/78/96/398567896.db2.gz HKFXGOXFMKTSBF-KSZLIROESA-N 2 2 324.428 2.941 50 0 DFAALP C[N@H+]1CC[C@@H](C[NH2+][C@@H](C(N)=O)c2ccccc2)[C@@H]1c1cccnc1 ZINC000328628627 398567898 /nfs/dbraw/zinc/56/78/98/398567898.db2.gz HKFXGOXFMKTSBF-KSZLIROESA-N 2 2 324.428 2.941 50 0 DFAALP C[N@H+](Cc1cc2n(n1)CCC[NH2+]C2)Cc1cccc2cccnc21 ZINC000072164934 191064864 /nfs/dbraw/zinc/06/48/64/191064864.db2.gz RWJXZVHTYHSQCA-UHFFFAOYSA-N 2 2 321.428 2.557 50 0 DFAALP C[N@@H+](Cc1cc2n(n1)CCC[NH2+]C2)Cc1cccc2cccnc21 ZINC000072164934 191064865 /nfs/dbraw/zinc/06/48/65/191064865.db2.gz RWJXZVHTYHSQCA-UHFFFAOYSA-N 2 2 321.428 2.557 50 0 DFAALP COc1c(C)c[nH+]c(CN2CCc3c([nH+]cn3C3CC3)C2)c1C ZINC000095373388 398657773 /nfs/dbraw/zinc/65/77/73/398657773.db2.gz CPTPDMGSCRKCEJ-UHFFFAOYSA-N 2 2 312.417 2.797 50 0 DFAALP Cc1n[nH]cc1C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000097159465 398665072 /nfs/dbraw/zinc/66/50/72/398665072.db2.gz DBHUSDFSQQXJKW-UHFFFAOYSA-N 2 2 302.397 2.611 50 0 DFAALP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CCCSC2)[nH+]1 ZINC000097370910 398667181 /nfs/dbraw/zinc/66/71/81/398667181.db2.gz DQBGANIXSJPHJD-MRXNPFEDSA-N 2 2 301.459 2.959 50 0 DFAALP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(OC(C)(C)C)cc1 ZINC000157061613 299319767 /nfs/dbraw/zinc/31/97/67/299319767.db2.gz SELGSYAGVUIXNS-RDJZCZTQSA-N 2 2 319.493 2.760 50 0 DFAALP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(OC(C)(C)C)cc1 ZINC000157061613 299319771 /nfs/dbraw/zinc/31/97/71/299319771.db2.gz SELGSYAGVUIXNS-RDJZCZTQSA-N 2 2 319.493 2.760 50 0 DFAALP C[NH+](C)[C@H]1CC[N@H+](C/C=C/c2ccc(F)cc2)C[C@H]1CCCO ZINC000091452027 193058945 /nfs/dbraw/zinc/05/89/45/193058945.db2.gz OEYKLZDZDJBFMF-GVKBTVHKSA-N 2 2 320.452 2.864 50 0 DFAALP C[NH+](C)[C@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2)C[C@H]1CCCO ZINC000091452027 193058947 /nfs/dbraw/zinc/05/89/47/193058947.db2.gz OEYKLZDZDJBFMF-GVKBTVHKSA-N 2 2 320.452 2.864 50 0 DFAALP C(C[NH+]1CCCC1)C1CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC000019838328 182155764 /nfs/dbraw/zinc/15/57/64/182155764.db2.gz YYHZEPOOOXXZJO-UHFFFAOYSA-N 2 2 304.438 2.645 50 0 DFAALP CC[N@@H+]1CCC[C@H](C[NH+](C)Cc2cc(-c3cccnc3)no2)C1 ZINC000019836398 182155032 /nfs/dbraw/zinc/15/50/32/182155032.db2.gz ILZIDLWYZUHSIK-OAHLLOKOSA-N 2 2 314.433 2.900 50 0 DFAALP CC[N@H+]1CCC[C@H](C[NH+](C)Cc2cc(-c3cccnc3)no2)C1 ZINC000019836398 182155033 /nfs/dbraw/zinc/15/50/33/182155033.db2.gz ILZIDLWYZUHSIK-OAHLLOKOSA-N 2 2 314.433 2.900 50 0 DFAALP CC[NH+]1CCC[C@H](C[N@H+](C)Cc2cc(-c3cccnc3)no2)C1 ZINC000019836398 182155034 /nfs/dbraw/zinc/15/50/34/182155034.db2.gz ILZIDLWYZUHSIK-OAHLLOKOSA-N 2 2 314.433 2.900 50 0 DFAALP CC[NH+]1CCC[C@H](C[N@@H+](C)Cc2cc(-c3cccnc3)no2)C1 ZINC000019836398 182155036 /nfs/dbraw/zinc/15/50/36/182155036.db2.gz ILZIDLWYZUHSIK-OAHLLOKOSA-N 2 2 314.433 2.900 50 0 DFAALP Cc1c[nH]c(CN(C)[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)[nH+]1 ZINC000019940000 182168192 /nfs/dbraw/zinc/16/81/92/182168192.db2.gz KSVYDKXZMZBVDD-GOSISDBHSA-N 2 2 324.472 2.782 50 0 DFAALP Cc1c[nH]c(CN(C)[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)[nH+]1 ZINC000019940000 182168193 /nfs/dbraw/zinc/16/81/93/182168193.db2.gz KSVYDKXZMZBVDD-GOSISDBHSA-N 2 2 324.472 2.782 50 0 DFAALP CC(=O)CCc1ccc(OCCCC[NH2+]CC[NH+](C)C)cc1 ZINC000020418865 182216139 /nfs/dbraw/zinc/21/61/39/182216139.db2.gz JAOMEPOAUNSCKS-UHFFFAOYSA-N 2 2 306.450 2.518 50 0 DFAALP Cc1noc(C)c1C[NH+]1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000267370477 206017934 /nfs/dbraw/zinc/01/79/34/206017934.db2.gz JSOFKSLSXXCMLF-UHFFFAOYSA-N 2 2 306.797 2.662 50 0 DFAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]CC1(c2cccc(F)c2)CCOCC1 ZINC000067742392 542460659 /nfs/dbraw/zinc/46/06/59/542460659.db2.gz SYGFBNXOOQMNNE-HNNXBMFYSA-N 2 2 317.408 2.749 50 0 DFAALP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccn(-c2ccc(F)cc2)n1 ZINC000090944359 542538516 /nfs/dbraw/zinc/53/85/16/542538516.db2.gz VJTNYVFQGUVDEG-HBUWYVDXSA-N 2 2 316.424 2.830 50 0 DFAALP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccn(-c2ccc(F)cc2)n1 ZINC000090944359 542538523 /nfs/dbraw/zinc/53/85/23/542538523.db2.gz VJTNYVFQGUVDEG-HBUWYVDXSA-N 2 2 316.424 2.830 50 0 DFAALP c1cn2c(cccc2C[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)n1 ZINC000299752432 229395927 /nfs/dbraw/zinc/39/59/27/229395927.db2.gz UDCXOPIDCDPYNY-MRXNPFEDSA-N 2 2 321.428 2.857 50 0 DFAALP c1cn2c(cccc2C[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)n1 ZINC000299752432 229395929 /nfs/dbraw/zinc/39/59/29/229395929.db2.gz UDCXOPIDCDPYNY-MRXNPFEDSA-N 2 2 321.428 2.857 50 0 DFAALP COc1c(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(C(C)C)nn1C ZINC000069377781 425937054 /nfs/dbraw/zinc/93/70/54/425937054.db2.gz ZZARHLKCWBUGHO-UHFFFAOYSA-N 2 2 322.497 2.905 50 0 DFAALP C[N@@H+]1CCC[C@H]1CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000000757254 425571214 /nfs/dbraw/zinc/57/12/14/425571214.db2.gz MWRGHCWYMGERLO-FQEVSTJZSA-N 3 2 315.505 2.767 50 0 DFAALP C[N@H+]1CCC[C@H]1CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000000757254 425571216 /nfs/dbraw/zinc/57/12/16/425571216.db2.gz MWRGHCWYMGERLO-FQEVSTJZSA-N 3 2 315.505 2.767 50 0 DFAALP C[C@@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000182519121 267744472 /nfs/dbraw/zinc/74/44/72/267744472.db2.gz YIBQDYZIDJFKKX-CABCVRRESA-N 2 2 322.453 2.651 50 0 DFAALP Cc1ccc2c(C[N@@H+](C)C3CC[NH+](C)CC3)cc(=O)oc2c1C ZINC000009683189 425693426 /nfs/dbraw/zinc/69/34/26/425693426.db2.gz DLIUPATYMBFCJH-UHFFFAOYSA-N 2 2 314.429 2.936 50 0 DFAALP Cc1ccc2c(C[N@H+](C)C3CC[NH+](C)CC3)cc(=O)oc2c1C ZINC000009683189 425693428 /nfs/dbraw/zinc/69/34/28/425693428.db2.gz DLIUPATYMBFCJH-UHFFFAOYSA-N 2 2 314.429 2.936 50 0 DFAALP CC(C)c1nn(C)c(Cl)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000069679021 425953142 /nfs/dbraw/zinc/95/31/42/425953142.db2.gz PCZRVPGDHGWNKN-GFCCVEGCSA-N 2 2 310.873 2.771 50 0 DFAALP CC(C)c1nn(C)c(Cl)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000069679021 425953145 /nfs/dbraw/zinc/95/31/45/425953145.db2.gz PCZRVPGDHGWNKN-GFCCVEGCSA-N 2 2 310.873 2.771 50 0 DFAALP Cc1cnc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000076089890 426098737 /nfs/dbraw/zinc/09/87/37/426098737.db2.gz NUKGIZOYGVMQEI-GOSISDBHSA-N 2 2 310.445 2.739 50 0 DFAALP Cc1cnc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000076089890 426098740 /nfs/dbraw/zinc/09/87/40/426098740.db2.gz NUKGIZOYGVMQEI-GOSISDBHSA-N 2 2 310.445 2.739 50 0 DFAALP Cc1cnc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000076089890 426098742 /nfs/dbraw/zinc/09/87/42/426098742.db2.gz NUKGIZOYGVMQEI-GOSISDBHSA-N 2 2 310.445 2.739 50 0 DFAALP Cc1cnc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000076089890 426098745 /nfs/dbraw/zinc/09/87/45/426098745.db2.gz NUKGIZOYGVMQEI-GOSISDBHSA-N 2 2 310.445 2.739 50 0 DFAALP CCCc1ccc(C[N@@H+]2CC[C@](O)(C[NH+]3CCCCC3)C2)o1 ZINC000077391569 426131855 /nfs/dbraw/zinc/13/18/55/426131855.db2.gz BVYAPWLRGGEGKP-SFHVURJKSA-N 2 2 306.450 2.655 50 0 DFAALP CCCc1ccc(C[N@H+]2CC[C@](O)(C[NH+]3CCCCC3)C2)o1 ZINC000077391569 426131858 /nfs/dbraw/zinc/13/18/58/426131858.db2.gz BVYAPWLRGGEGKP-SFHVURJKSA-N 2 2 306.450 2.655 50 0 DFAALP C[C@@H]([NH2+]CCCc1cnn(C)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095967629 426379594 /nfs/dbraw/zinc/37/95/94/426379594.db2.gz XDCLGXSYDGLPSQ-OAHLLOKOSA-N 2 2 309.417 2.889 50 0 DFAALP C[C@H](c1ccccc1F)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000095987346 426383990 /nfs/dbraw/zinc/38/39/90/426383990.db2.gz PNNVJGSNAMLUOB-MRXNPFEDSA-N 2 2 316.424 2.791 50 0 DFAALP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(F)ccc2Br)C1 ZINC000097047686 426443196 /nfs/dbraw/zinc/44/31/96/426443196.db2.gz QLYPAJBOTYVLMR-ZJUUUORDSA-N 2 2 301.203 2.757 50 0 DFAALP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(F)ccc2Br)C1 ZINC000097047686 426443197 /nfs/dbraw/zinc/44/31/97/426443197.db2.gz QLYPAJBOTYVLMR-ZJUUUORDSA-N 2 2 301.203 2.757 50 0 DFAALP Cc1nc(C[N@@H+]2CC[C@H](CNc3ccc(C)c[nH+]3)C2)oc1C ZINC000097200530 426457808 /nfs/dbraw/zinc/45/78/08/426457808.db2.gz ZNKFNWBBRZCUSN-OAHLLOKOSA-N 2 2 300.406 2.929 50 0 DFAALP Cc1nc(C[N@H+]2CC[C@H](CNc3ccc(C)c[nH+]3)C2)oc1C ZINC000097200530 426457810 /nfs/dbraw/zinc/45/78/10/426457810.db2.gz ZNKFNWBBRZCUSN-OAHLLOKOSA-N 2 2 300.406 2.929 50 0 DFAALP Cc1nc(C[N@@H+]2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)oc1C ZINC000097200815 426458098 /nfs/dbraw/zinc/45/80/98/426458098.db2.gz AKWJLIYODXHIFM-HNNXBMFYSA-N 2 2 300.406 2.929 50 0 DFAALP Cc1nc(C[N@H+]2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)oc1C ZINC000097200815 426458100 /nfs/dbraw/zinc/45/81/00/426458100.db2.gz AKWJLIYODXHIFM-HNNXBMFYSA-N 2 2 300.406 2.929 50 0 DFAALP COCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2ccc(F)cc2Cl)C1 ZINC000097815068 426474561 /nfs/dbraw/zinc/47/45/61/426474561.db2.gz BQWWLKGJJBQLIR-ZDUSSCGKSA-N 2 2 314.832 2.879 50 0 DFAALP COCC[N@H+]1CC[C@@H](C[NH+](C)Cc2ccc(F)cc2Cl)C1 ZINC000097815068 426474562 /nfs/dbraw/zinc/47/45/62/426474562.db2.gz BQWWLKGJJBQLIR-ZDUSSCGKSA-N 2 2 314.832 2.879 50 0 DFAALP COCC[NH+]1CC[C@@H](C[N@H+](C)Cc2ccc(F)cc2Cl)C1 ZINC000097815068 426474564 /nfs/dbraw/zinc/47/45/64/426474564.db2.gz BQWWLKGJJBQLIR-ZDUSSCGKSA-N 2 2 314.832 2.879 50 0 DFAALP COCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2ccc(F)cc2Cl)C1 ZINC000097815068 426474567 /nfs/dbraw/zinc/47/45/67/426474567.db2.gz BQWWLKGJJBQLIR-ZDUSSCGKSA-N 2 2 314.832 2.879 50 0 DFAALP CCOc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c(Cl)cc1OC ZINC000097756409 426474749 /nfs/dbraw/zinc/47/47/49/426474749.db2.gz BNQMDAAFGOACCO-LBPRGKRZSA-N 2 2 312.841 2.918 50 0 DFAALP CCOc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c(Cl)cc1OC ZINC000097756409 426474750 /nfs/dbraw/zinc/47/47/50/426474750.db2.gz BNQMDAAFGOACCO-LBPRGKRZSA-N 2 2 312.841 2.918 50 0 DFAALP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cc2c(cc1Cl)OCO2 ZINC000215472193 426552835 /nfs/dbraw/zinc/55/28/35/426552835.db2.gz BIIXOYIHGVLHSX-UHFFFAOYSA-N 2 2 307.781 2.706 50 0 DFAALP Cc1[nH+]ccn1CC[N@H+](C)Cc1cc2c(cc1Cl)OCO2 ZINC000215472193 426552839 /nfs/dbraw/zinc/55/28/39/426552839.db2.gz BIIXOYIHGVLHSX-UHFFFAOYSA-N 2 2 307.781 2.706 50 0 DFAALP Nc1nc(N2CC=C(c3ccccc3)CC2)cc([C@H]2C[C@@H]([NH3+])C2)[nH+]1 ZINC000244898920 426731179 /nfs/dbraw/zinc/73/11/79/426731179.db2.gz ZDXWYRSLVKEDKE-IYBDPMFKSA-N 2 2 321.428 2.557 50 0 DFAALP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275535992 426865002 /nfs/dbraw/zinc/86/50/02/426865002.db2.gz MFVQNOPFLORESD-QRQLOZEOSA-N 3 2 324.472 2.556 50 0 DFAALP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275535992 426865008 /nfs/dbraw/zinc/86/50/08/426865008.db2.gz MFVQNOPFLORESD-QRQLOZEOSA-N 3 2 324.472 2.556 50 0 DFAALP CC(C)c1nc(NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc[nH+]1 ZINC000328622248 426981466 /nfs/dbraw/zinc/98/14/66/426981466.db2.gz IINFCPFSEIYLKW-RDJZCZTQSA-N 2 2 311.433 3.100 50 0 DFAALP CC(C)c1nc(NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc[nH+]1 ZINC000328622248 426981472 /nfs/dbraw/zinc/98/14/72/426981472.db2.gz IINFCPFSEIYLKW-RDJZCZTQSA-N 2 2 311.433 3.100 50 0 DFAALP C[C@@H]1CC[N@@H+]([C@H]2CCc3ccccc3NC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000248916734 427063574 /nfs/dbraw/zinc/06/35/74/427063574.db2.gz ZZQWLAJPFSNDRM-JLSDUUJJSA-N 2 2 324.428 2.720 50 0 DFAALP C[C@@H]1CC[N@H+]([C@H]2CCc3ccccc3NC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000248916734 427063582 /nfs/dbraw/zinc/06/35/82/427063582.db2.gz ZZQWLAJPFSNDRM-JLSDUUJJSA-N 2 2 324.428 2.720 50 0 DFAALP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000414071321 428195389 /nfs/dbraw/zinc/19/53/89/428195389.db2.gz TYPBWABZKGMLIC-ZDUSSCGKSA-N 2 2 309.417 2.838 50 0 DFAALP CCOC(=O)N1CCC(C)(C[NH2+]CCc2cc[nH+]cc2C)CC1 ZINC000583650766 430415431 /nfs/dbraw/zinc/41/54/31/430415431.db2.gz ALWRGVWWLGUPMA-UHFFFAOYSA-N 2 2 319.449 2.781 50 0 DFAALP c1cc2c(nc[nH+]c2N2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)[nH]1 ZINC000095500116 185374746 /nfs/dbraw/zinc/37/47/46/185374746.db2.gz NOWJEZAEVPMBSZ-CQSZACIVSA-N 2 2 322.416 2.948 50 0 DFAALP CC[C@@H]1CN(c2ccc(Cn3cc[nH+]c3)cn2)CC[N@@H+]1C(C)C ZINC000082167304 185174259 /nfs/dbraw/zinc/17/42/59/185174259.db2.gz LVWZAHBKKQISSR-QGZVFWFLSA-N 2 2 313.449 2.635 50 0 DFAALP CC[C@@H]1CN(c2ccc(Cn3cc[nH+]c3)cn2)CC[N@H+]1C(C)C ZINC000082167304 185174260 /nfs/dbraw/zinc/17/42/60/185174260.db2.gz LVWZAHBKKQISSR-QGZVFWFLSA-N 2 2 313.449 2.635 50 0 DFAALP Cc1cccc(N2CCC([NH2+][C@@H]3C[N@H+](C(C)C)C[C@H]3C)CC2)[nH+]1 ZINC000230163530 398356663 /nfs/dbraw/zinc/35/66/63/398356663.db2.gz IIWXNRHDSOHGAU-CRAIPNDOSA-N 3 2 316.493 2.677 50 0 DFAALP Cc1cccc(N2CCC([NH2+][C@@H]3C[N@@H+](C(C)C)C[C@H]3C)CC2)[nH+]1 ZINC000230163530 398356665 /nfs/dbraw/zinc/35/66/65/398356665.db2.gz IIWXNRHDSOHGAU-CRAIPNDOSA-N 3 2 316.493 2.677 50 0 DFAALP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cnc3cc(C)ccn13)CCC2 ZINC000095402055 185354527 /nfs/dbraw/zinc/35/45/27/185354527.db2.gz LIXKVMXBRAYPOL-HNNXBMFYSA-N 2 2 309.417 2.815 50 0 DFAALP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ncc[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095447472 185367742 /nfs/dbraw/zinc/36/77/42/185367742.db2.gz KBCDEQNUCVVROQ-LRDDRELGSA-N 2 2 322.815 2.985 50 0 DFAALP C[N@H+]1CC[C@@H](C[NH2+]Cc2ncc[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095447472 185367743 /nfs/dbraw/zinc/36/77/43/185367743.db2.gz KBCDEQNUCVVROQ-LRDDRELGSA-N 2 2 322.815 2.985 50 0 DFAALP Cc1cc(F)ccc1N1CCC([NH2+]C[C@@H]2CCC[N@H+]2C)CC1 ZINC000584896259 398429435 /nfs/dbraw/zinc/42/94/35/398429435.db2.gz QJVPJQWVAWCBTP-KRWDZBQOSA-N 2 2 305.441 2.787 50 0 DFAALP Cc1cc(F)ccc1N1CCC([NH2+]C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000584896259 398429438 /nfs/dbraw/zinc/42/94/38/398429438.db2.gz QJVPJQWVAWCBTP-KRWDZBQOSA-N 2 2 305.441 2.787 50 0 DFAALP CC(C)(C)c1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(CO)o1)CCC2 ZINC000089725141 398464531 /nfs/dbraw/zinc/46/45/31/398464531.db2.gz NJAGZIDCSGYCLF-ZDUSSCGKSA-N 2 2 317.433 2.933 50 0 DFAALP c1csc(C[N@H+](Cc2cncnc2)[C@H]2CCC[NH2+]CC2)c1 ZINC000328632292 398567923 /nfs/dbraw/zinc/56/79/23/398567923.db2.gz LIGRTUPDLQEFHJ-HNNXBMFYSA-N 2 2 302.447 2.682 50 0 DFAALP c1csc(C[N@@H+](Cc2cncnc2)[C@H]2CCC[NH2+]CC2)c1 ZINC000328632292 398567925 /nfs/dbraw/zinc/56/79/25/398567925.db2.gz LIGRTUPDLQEFHJ-HNNXBMFYSA-N 2 2 302.447 2.682 50 0 DFAALP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000071735725 191018069 /nfs/dbraw/zinc/01/80/69/191018069.db2.gz CSLWQXMORUAZAV-INIZCTEOSA-N 2 2 305.809 2.918 50 0 DFAALP Cc1[nH+]ccn1CC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000071735725 191018071 /nfs/dbraw/zinc/01/80/71/191018071.db2.gz CSLWQXMORUAZAV-INIZCTEOSA-N 2 2 305.809 2.918 50 0 DFAALP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000237086931 202147931 /nfs/dbraw/zinc/14/79/31/202147931.db2.gz SEWQNMBTJVBPAW-SFHVURJKSA-N 2 2 311.429 2.844 50 0 DFAALP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000237086931 202147935 /nfs/dbraw/zinc/14/79/35/202147935.db2.gz SEWQNMBTJVBPAW-SFHVURJKSA-N 2 2 311.429 2.844 50 0 DFAALP c1cn(C[C@@H]2CCC[N@@H+]2Cc2ccc(N3CCCC3)nc2)c[nH+]1 ZINC000188411424 200242326 /nfs/dbraw/zinc/24/23/26/200242326.db2.gz RMUVLZAOCSCNJM-KRWDZBQOSA-N 2 2 311.433 2.543 50 0 DFAALP c1cn(C[C@@H]2CCC[N@H+]2Cc2ccc(N3CCCC3)nc2)c[nH+]1 ZINC000188411424 200242328 /nfs/dbraw/zinc/24/23/28/200242328.db2.gz RMUVLZAOCSCNJM-KRWDZBQOSA-N 2 2 311.433 2.543 50 0 DFAALP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2C)C1 ZINC000019656995 182134633 /nfs/dbraw/zinc/13/46/33/182134633.db2.gz NKZQMYVYOHOEDA-MRXNPFEDSA-N 2 2 323.444 2.990 50 0 DFAALP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2C)C1 ZINC000019656995 182134634 /nfs/dbraw/zinc/13/46/34/182134634.db2.gz NKZQMYVYOHOEDA-MRXNPFEDSA-N 2 2 323.444 2.990 50 0 DFAALP COc1cccc(C[NH+]2CCC([NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000019889874 182161075 /nfs/dbraw/zinc/16/10/75/182161075.db2.gz VKOHRYRBRDSBHI-HOTGVXAUSA-N 2 2 318.461 2.769 50 0 DFAALP C[N@@H+]1CCC[C@H]1CCNC(=O)Nc1cccc(-c2c[nH]c[nH+]2)c1 ZINC000426700120 257244742 /nfs/dbraw/zinc/24/47/42/257244742.db2.gz XPOACDRXAUPKNL-HNNXBMFYSA-N 2 2 313.405 2.683 50 0 DFAALP C[N@H+]1CCC[C@H]1CCNC(=O)Nc1cccc(-c2c[nH]c[nH+]2)c1 ZINC000426700120 257244743 /nfs/dbraw/zinc/24/47/43/257244743.db2.gz XPOACDRXAUPKNL-HNNXBMFYSA-N 2 2 313.405 2.683 50 0 DFAALP C[C@H](c1cccc(-c2cc(N(C)C)nc(N)[nH+]2)c1)[NH+]1CCCC1 ZINC000215904365 542873577 /nfs/dbraw/zinc/87/35/77/542873577.db2.gz VLZCASFANNVUTH-CYBMUJFWSA-N 2 2 311.433 2.949 50 0 DFAALP CSc1cccc(CNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)c1 ZINC000223520603 542886196 /nfs/dbraw/zinc/88/61/96/542886196.db2.gz HCVXTFYQYIOENJ-UHFFFAOYSA-N 2 2 315.446 2.598 50 0 DFAALP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262052511 146326997 /nfs/dbraw/zinc/32/69/97/146326997.db2.gz QJXIXKLUFJQZKM-VQIMIIECSA-N 3 2 312.461 2.809 50 0 DFAALP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262052511 146326999 /nfs/dbraw/zinc/32/69/99/146326999.db2.gz QJXIXKLUFJQZKM-VQIMIIECSA-N 3 2 312.461 2.809 50 0 DFAALP CO[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000096003173 286033343 /nfs/dbraw/zinc/03/33/43/286033343.db2.gz LTRAHJNRDMFPSZ-KBPBESRZSA-N 2 2 308.388 2.950 50 0 DFAALP Cc1nc(C(F)(F)F)ncc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000670447925 544041891 /nfs/dbraw/zinc/04/18/91/544041891.db2.gz GGZMOKQETPHFIE-LBPRGKRZSA-N 2 2 316.371 2.577 50 0 DFAALP Cc1nc(C(F)(F)F)ncc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000670447925 544041894 /nfs/dbraw/zinc/04/18/94/544041894.db2.gz GGZMOKQETPHFIE-LBPRGKRZSA-N 2 2 316.371 2.577 50 0 DFAALP Cc1nc(C(F)(F)F)ncc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000670447925 544041895 /nfs/dbraw/zinc/04/18/95/544041895.db2.gz GGZMOKQETPHFIE-LBPRGKRZSA-N 2 2 316.371 2.577 50 0 DFAALP Cc1nc(C(F)(F)F)ncc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000670447925 544041897 /nfs/dbraw/zinc/04/18/97/544041897.db2.gz GGZMOKQETPHFIE-LBPRGKRZSA-N 2 2 316.371 2.577 50 0 DFAALP c1cn2c(cccc2C[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)n1 ZINC000299752431 229395198 /nfs/dbraw/zinc/39/51/98/229395198.db2.gz UDCXOPIDCDPYNY-INIZCTEOSA-N 2 2 321.428 2.857 50 0 DFAALP c1cn2c(cccc2C[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)n1 ZINC000299752431 229395200 /nfs/dbraw/zinc/39/52/00/229395200.db2.gz UDCXOPIDCDPYNY-INIZCTEOSA-N 2 2 321.428 2.857 50 0 DFAALP O=C(CCC[NH+]1CCCCCC1)Nc1c[nH+]c2n1CCCC2 ZINC000067769525 425913043 /nfs/dbraw/zinc/91/30/43/425913043.db2.gz NDCBMAGJOPJLIV-UHFFFAOYSA-N 2 2 304.438 2.814 50 0 DFAALP CCC[NH+]1CCC([NH+]2CCN(c3cc(C)[nH+]c(C)c3)CC2)CC1 ZINC000019840036 425788801 /nfs/dbraw/zinc/78/88/01/425788801.db2.gz GCNGZBVTMDNDTN-UHFFFAOYSA-N 3 2 316.493 2.695 50 0 DFAALP c1c[nH+]c(-c2ccccc2C[NH+]2CCN(c3cccnc3)CC2)[nH]1 ZINC000019537175 425789546 /nfs/dbraw/zinc/78/95/46/425789546.db2.gz ZXDGFWQXJHYODT-UHFFFAOYSA-N 2 2 319.412 2.794 50 0 DFAALP Cc1n[nH]cc1C[NH2+]C1CC[NH+](Cc2ccccc2F)CC1 ZINC000071819618 425990469 /nfs/dbraw/zinc/99/04/69/425990469.db2.gz SJIKCCWBWMZKBC-UHFFFAOYSA-N 2 2 302.397 2.611 50 0 DFAALP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(Cl)o2)nc[nH+]1 ZINC000075132711 426064252 /nfs/dbraw/zinc/06/42/52/426064252.db2.gz YCCZSRNZTUOYGR-LLVKDONJSA-N 2 2 321.812 2.523 50 0 DFAALP O[C@]1(C[NH+]2CCCC2)CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000077470704 426135844 /nfs/dbraw/zinc/13/58/44/426135844.db2.gz CCFLGKUKLJNXFD-KRWDZBQOSA-N 2 2 308.853 2.763 50 0 DFAALP O[C@]1(C[NH+]2CCCC2)CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000077470704 426135846 /nfs/dbraw/zinc/13/58/46/426135846.db2.gz CCFLGKUKLJNXFD-KRWDZBQOSA-N 2 2 308.853 2.763 50 0 DFAALP Cc1cc(F)ccc1C[N@@H+]1CC[C@@](O)(C[NH+]2CCCCC2)C1 ZINC000077489361 426136745 /nfs/dbraw/zinc/13/67/45/426136745.db2.gz ZWAPTUXLWKBVOB-GOSISDBHSA-N 2 2 306.425 2.557 50 0 DFAALP Cc1cc(F)ccc1C[N@H+]1CC[C@@](O)(C[NH+]2CCCCC2)C1 ZINC000077489361 426136747 /nfs/dbraw/zinc/13/67/47/426136747.db2.gz ZWAPTUXLWKBVOB-GOSISDBHSA-N 2 2 306.425 2.557 50 0 DFAALP OC1CCC([NH2+][C@H](Cn2cc[nH+]c2)c2cccc(F)c2)CC1 ZINC000089774735 426307961 /nfs/dbraw/zinc/30/79/61/426307961.db2.gz YXIXDIPKOZPRGF-OFLPRAFFSA-N 2 2 303.381 2.657 50 0 DFAALP Cc1cccc([C@@H](C(=O)NCc2c[nH+]c(C)cc2C)[NH+](C)C)c1 ZINC000095380993 426370981 /nfs/dbraw/zinc/37/09/81/426370981.db2.gz GYOWOSZDYSFAMF-SFHVURJKSA-N 2 2 311.429 2.926 50 0 DFAALP Oc1cccc(C[NH2+]C2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000096402784 426414596 /nfs/dbraw/zinc/41/45/96/426414596.db2.gz RHQKRRHAQKRARF-UHFFFAOYSA-N 2 2 311.429 2.584 50 0 DFAALP C[C@@H]1C[C@H](N(C)Cc2[nH+]ccn2C)CC[N@@H+]1Cc1ccccc1 ZINC000096414932 426417913 /nfs/dbraw/zinc/41/79/13/426417913.db2.gz NULWCOLXZRRKEF-SJLPKXTDSA-N 2 2 312.461 2.905 50 0 DFAALP C[C@@H]1C[C@H](N(C)Cc2[nH+]ccn2C)CC[N@H+]1Cc1ccccc1 ZINC000096414932 426417915 /nfs/dbraw/zinc/41/79/15/426417915.db2.gz NULWCOLXZRRKEF-SJLPKXTDSA-N 2 2 312.461 2.905 50 0 DFAALP O[C@H](C[NH2+][C@@H]1CCc2ccccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000098144092 426480418 /nfs/dbraw/zinc/48/04/18/426480418.db2.gz AAWSSEKUWIPPTL-TZIWHRDSSA-N 2 2 322.452 2.683 50 0 DFAALP O[C@H](C[NH2+][C@@H]1CCc2ccccc21)C[N@H+]1CCc2ccccc2C1 ZINC000098144092 426480420 /nfs/dbraw/zinc/48/04/20/426480420.db2.gz AAWSSEKUWIPPTL-TZIWHRDSSA-N 2 2 322.452 2.683 50 0 DFAALP CCCCN1CC[N@H+](Cc2cccc([C@H](C)[NH+](C)C)c2)CC1=O ZINC000215142729 426550037 /nfs/dbraw/zinc/55/00/37/426550037.db2.gz SYTWEXMYRBJLTB-INIZCTEOSA-N 2 2 317.477 2.754 50 0 DFAALP CCCCN1CC[N@@H+](Cc2cccc([C@H](C)[NH+](C)C)c2)CC1=O ZINC000215142729 426550042 /nfs/dbraw/zinc/55/00/42/426550042.db2.gz SYTWEXMYRBJLTB-INIZCTEOSA-N 2 2 317.477 2.754 50 0 DFAALP COc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)OCO2 ZINC000244852831 426729493 /nfs/dbraw/zinc/72/94/93/426729493.db2.gz UZSWKFAZJROWGK-GFCCVEGCSA-N 2 2 315.373 2.527 50 0 DFAALP COc1cc2c(cc1C[N@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)OCO2 ZINC000244852831 426729495 /nfs/dbraw/zinc/72/94/95/426729495.db2.gz UZSWKFAZJROWGK-GFCCVEGCSA-N 2 2 315.373 2.527 50 0 DFAALP Cc1cccc(NC(=O)C[N@H+](C)C[C@@H]2CC[NH+](C)C2(C)C)c1C ZINC000244899803 426731207 /nfs/dbraw/zinc/73/12/07/426731207.db2.gz ZQJUELVCQRLGOF-INIZCTEOSA-N 2 2 317.477 2.904 50 0 DFAALP Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H]2CC[NH+](C)C2(C)C)c1C ZINC000244899803 426731212 /nfs/dbraw/zinc/73/12/12/426731212.db2.gz ZQJUELVCQRLGOF-INIZCTEOSA-N 2 2 317.477 2.904 50 0 DFAALP Cc1cccc(NC(=O)C[NH+](C)C[C@@H]2CC[N@H+](C)C2(C)C)c1C ZINC000244899803 426731215 /nfs/dbraw/zinc/73/12/15/426731215.db2.gz ZQJUELVCQRLGOF-INIZCTEOSA-N 2 2 317.477 2.904 50 0 DFAALP Cc1cccc(NC(=O)C[NH+](C)C[C@@H]2CC[N@@H+](C)C2(C)C)c1C ZINC000244899803 426731219 /nfs/dbraw/zinc/73/12/19/426731219.db2.gz ZQJUELVCQRLGOF-INIZCTEOSA-N 2 2 317.477 2.904 50 0 DFAALP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000189583196 426896143 /nfs/dbraw/zinc/89/61/43/426896143.db2.gz DTABSYQOSBGPOE-OAHLLOKOSA-N 2 2 301.365 2.900 50 0 DFAALP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)c2nc(C)cc(=O)[nH]2)C1 ZINC000248724438 427033793 /nfs/dbraw/zinc/03/37/93/427033793.db2.gz HOPJZPWRIFIZAS-ZIAGYGMSSA-N 2 2 315.421 2.648 50 0 DFAALP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)c2nc(C)cc(=O)[nH]2)C1 ZINC000248724438 427033800 /nfs/dbraw/zinc/03/38/00/427033800.db2.gz HOPJZPWRIFIZAS-ZIAGYGMSSA-N 2 2 315.421 2.648 50 0 DFAALP NC(=O)c1ccc(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000053780653 295179716 /nfs/dbraw/zinc/17/97/16/295179716.db2.gz FVUSLNFXIAGMHI-IBGZPJMESA-N 2 2 323.440 2.712 50 0 DFAALP Cn1ccnc1[C@H]([NH2+]C1CC[NH+](Cc2ccco2)CC1)C1CC1 ZINC000534639329 334310511 /nfs/dbraw/zinc/31/05/11/334310511.db2.gz WOMXWVFTEKZBKS-QGZVFWFLSA-N 2 2 314.433 2.718 50 0 DFAALP Cc1ncc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)s1 ZINC000328642095 534734689 /nfs/dbraw/zinc/73/46/89/534734689.db2.gz QVANLCFEXRARAP-RDJZCZTQSA-N 2 2 316.474 2.971 50 0 DFAALP Cc1ncc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)s1 ZINC000328642095 534734694 /nfs/dbraw/zinc/73/46/94/534734694.db2.gz QVANLCFEXRARAP-RDJZCZTQSA-N 2 2 316.474 2.971 50 0 DFAALP Cc1ncc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)s1 ZINC000328642095 534734699 /nfs/dbraw/zinc/73/46/99/534734699.db2.gz QVANLCFEXRARAP-RDJZCZTQSA-N 2 2 316.474 2.971 50 0 DFAALP Cc1ncc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)s1 ZINC000328642095 534734700 /nfs/dbraw/zinc/73/47/00/534734700.db2.gz QVANLCFEXRARAP-RDJZCZTQSA-N 2 2 316.474 2.971 50 0 DFAALP Cc1csc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)n1 ZINC000328645150 534814844 /nfs/dbraw/zinc/81/48/44/534814844.db2.gz SADLOVVALDHTSU-HOCLYGCPSA-N 2 2 302.447 2.629 50 0 DFAALP Cc1csc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)n1 ZINC000328645150 534814848 /nfs/dbraw/zinc/81/48/48/534814848.db2.gz SADLOVVALDHTSU-HOCLYGCPSA-N 2 2 302.447 2.629 50 0 DFAALP CC(C)OCCC[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328632205 527935225 /nfs/dbraw/zinc/93/52/25/527935225.db2.gz LDORXUZVXWVNKG-ROUUACIJSA-N 2 2 305.466 2.821 50 0 DFAALP CC(C)OCCC[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328632205 527935232 /nfs/dbraw/zinc/93/52/32/527935232.db2.gz LDORXUZVXWVNKG-ROUUACIJSA-N 2 2 305.466 2.821 50 0 DFAALP CC(C)OCCC[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328632205 527935237 /nfs/dbraw/zinc/93/52/37/527935237.db2.gz LDORXUZVXWVNKG-ROUUACIJSA-N 2 2 305.466 2.821 50 0 DFAALP CC(C)OCCC[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328632205 527935241 /nfs/dbraw/zinc/93/52/41/527935241.db2.gz LDORXUZVXWVNKG-ROUUACIJSA-N 2 2 305.466 2.821 50 0 DFAALP Fc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc3c[nH]nc3c2)cc1 ZINC000685940012 546411933 /nfs/dbraw/zinc/41/19/33/546411933.db2.gz KIYDVBLDCKDQPF-IEBWSBKVSA-N 2 2 324.403 2.937 50 0 DFAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000095526848 185378107 /nfs/dbraw/zinc/37/81/07/185378107.db2.gz JFSSYYHJZDLLRN-MRXNPFEDSA-N 3 2 313.449 2.614 50 0 DFAALP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc3c(c1)OCCO3)CCC2 ZINC000095402053 185354594 /nfs/dbraw/zinc/35/45/94/185354594.db2.gz YTUFFQDBOYALTO-HNNXBMFYSA-N 2 2 313.401 2.630 50 0 DFAALP COc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000095428237 185362433 /nfs/dbraw/zinc/36/24/33/185362433.db2.gz WYWOKPPAHWIYMU-HNNXBMFYSA-N 2 2 302.349 2.883 50 0 DFAALP COc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000095428237 185362434 /nfs/dbraw/zinc/36/24/34/185362434.db2.gz WYWOKPPAHWIYMU-HNNXBMFYSA-N 2 2 302.349 2.883 50 0 DFAALP COc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000095428238 185362461 /nfs/dbraw/zinc/36/24/61/185362461.db2.gz WYWOKPPAHWIYMU-OAHLLOKOSA-N 2 2 302.349 2.883 50 0 DFAALP COc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000095428238 185362462 /nfs/dbraw/zinc/36/24/62/185362462.db2.gz WYWOKPPAHWIYMU-OAHLLOKOSA-N 2 2 302.349 2.883 50 0 DFAALP CC[NH+]1CCC([NH+]2CCN(c3cc(C)ccc3C)CC2)CC1 ZINC000016663308 398402143 /nfs/dbraw/zinc/40/21/43/398402143.db2.gz XUBSOGKQTVLJNW-UHFFFAOYSA-N 2 2 301.478 2.910 50 0 DFAALP Cc1cc(C)c(CNC(=O)N(C)CC[C@@H](C)[NH+]2CCCC2)c[nH+]1 ZINC000584884752 398425930 /nfs/dbraw/zinc/42/59/30/398425930.db2.gz UAICXPSDABEETG-MRXNPFEDSA-N 2 2 318.465 2.714 50 0 DFAALP C[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC000584888322 398427055 /nfs/dbraw/zinc/42/70/55/398427055.db2.gz ARAKIDSLJYOHQT-GOSISDBHSA-N 2 2 305.441 2.868 50 0 DFAALP C[N@H+]1CCCC[C@@H]1C[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC000584888322 398427058 /nfs/dbraw/zinc/42/70/58/398427058.db2.gz ARAKIDSLJYOHQT-GOSISDBHSA-N 2 2 305.441 2.868 50 0 DFAALP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000069700020 398581443 /nfs/dbraw/zinc/58/14/43/398581443.db2.gz KTGQGJPYDAZYKC-MSOLQXFVSA-N 2 2 324.428 2.571 50 0 DFAALP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000069700020 398581445 /nfs/dbraw/zinc/58/14/45/398581445.db2.gz KTGQGJPYDAZYKC-MSOLQXFVSA-N 2 2 324.428 2.571 50 0 DFAALP COc1ccc(-c2[nH+]ccn2C[C@@H](C)O)cc1C[NH+]1CCCC1 ZINC000071754634 191024322 /nfs/dbraw/zinc/02/43/22/191024322.db2.gz KSIVGEAPTWKZNI-CQSZACIVSA-N 2 2 315.417 2.535 50 0 DFAALP Cc1nc2sccn2c1C[N@@H+]1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000072133266 191044846 /nfs/dbraw/zinc/04/48/46/191044846.db2.gz JUVVVWXLEWZIJV-AWEZNQCLSA-N 2 2 315.446 2.813 50 0 DFAALP Cc1nc2sccn2c1C[N@H+]1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000072133266 191044850 /nfs/dbraw/zinc/04/48/50/191044850.db2.gz JUVVVWXLEWZIJV-AWEZNQCLSA-N 2 2 315.446 2.813 50 0 DFAALP Cc1ccc(C[NH+]2CCC([NH+]3CCC(O)CC3)CC2)c(C)c1F ZINC000072425616 191159513 /nfs/dbraw/zinc/15/95/13/191159513.db2.gz YGBGTFCZMTWEFK-UHFFFAOYSA-N 2 2 320.452 2.864 50 0 DFAALP Cn1cc[nH+]c1CN1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000072447943 191169712 /nfs/dbraw/zinc/16/97/12/191169712.db2.gz SECKZISBQJZGNK-UHFFFAOYSA-N 2 2 314.477 2.507 50 0 DFAALP c1ccc2[nH+]c(CCC[NH2+]C3CCC4(CC3)OCCO4)[nH]c2c1 ZINC000155327689 398945742 /nfs/dbraw/zinc/94/57/42/398945742.db2.gz NQFURXKSIWGLKZ-UHFFFAOYSA-N 2 2 315.417 2.771 50 0 DFAALP C[NH+](C)CCOc1ccc(C[N@H+](C)Cc2nccs2)cc1 ZINC000093582135 193269821 /nfs/dbraw/zinc/26/98/21/193269821.db2.gz ZTUJWTJMHUZPHR-UHFFFAOYSA-N 2 2 305.447 2.716 50 0 DFAALP C[NH+](C)CCOc1ccc(C[N@@H+](C)Cc2nccs2)cc1 ZINC000093582135 193269823 /nfs/dbraw/zinc/26/98/23/193269823.db2.gz ZTUJWTJMHUZPHR-UHFFFAOYSA-N 2 2 305.447 2.716 50 0 DFAALP c1cn(CC2CC[NH+](CCc3ccc4c(c3)OCO4)CC2)c[nH+]1 ZINC000019865246 182157962 /nfs/dbraw/zinc/15/79/62/182157962.db2.gz DZGSCWKSQQGYPT-UHFFFAOYSA-N 2 2 313.401 2.567 50 0 DFAALP COc1ccc(C[NH+]2CCC([NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000019889882 182160739 /nfs/dbraw/zinc/16/07/39/182160739.db2.gz FISVOPPNAGRPSW-HZPDHXFCSA-N 2 2 318.461 2.769 50 0 DFAALP C[NH+](C)CC(C)(C)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000023283521 182356539 /nfs/dbraw/zinc/35/65/39/182356539.db2.gz VPSFLDMAIGDNFC-UHFFFAOYSA-N 3 2 303.494 2.828 50 0 DFAALP Cc1[nH+]c2ccccc2n1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000060368071 184147265 /nfs/dbraw/zinc/14/72/65/184147265.db2.gz JNPKVPDLKZWEFE-QGZVFWFLSA-N 2 2 309.413 2.838 50 0 DFAALP Cc1[nH+]c2ccccc2n1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000060368071 184147267 /nfs/dbraw/zinc/14/72/67/184147267.db2.gz JNPKVPDLKZWEFE-QGZVFWFLSA-N 2 2 309.413 2.838 50 0 DFAALP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)cc1 ZINC000065410109 184340197 /nfs/dbraw/zinc/34/01/97/184340197.db2.gz CIOSOXJRFRRTHO-QGZVFWFLSA-N 2 2 312.417 2.754 50 0 DFAALP CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)cc1 ZINC000065410109 184340199 /nfs/dbraw/zinc/34/01/99/184340199.db2.gz CIOSOXJRFRRTHO-QGZVFWFLSA-N 2 2 312.417 2.754 50 0 DFAALP Oc1ccc(-c2[nH+]ccn2CCC[NH+]2CCOCC2)cc1Cl ZINC000065466185 184350077 /nfs/dbraw/zinc/35/00/77/184350077.db2.gz OAJLIPTVIZZFQM-UHFFFAOYSA-N 2 2 321.808 2.631 50 0 DFAALP Cc1ccc(NC[C@@H]2CC[N@H+](Cc3noc(C4CC4)n3)C2)[nH+]c1 ZINC000065467316 184350241 /nfs/dbraw/zinc/35/02/41/184350241.db2.gz BXAZDGKXJBIUPV-ZDUSSCGKSA-N 2 2 313.405 2.584 50 0 DFAALP Cc1ccc(NC[C@@H]2CC[N@@H+](Cc3noc(C4CC4)n3)C2)[nH+]c1 ZINC000065467316 184350243 /nfs/dbraw/zinc/35/02/43/184350243.db2.gz BXAZDGKXJBIUPV-ZDUSSCGKSA-N 2 2 313.405 2.584 50 0 DFAALP CC(C)=CC[N@H+]1CCC[C@H](c2nnc(C[NH+]3CCCC3)n2C)C1 ZINC000426361281 257252958 /nfs/dbraw/zinc/25/29/58/257252958.db2.gz MEWKEYFIKWVFAG-INIZCTEOSA-N 2 2 317.481 2.557 50 0 DFAALP CC(C)=CC[N@@H+]1CCC[C@H](c2nnc(C[NH+]3CCCC3)n2C)C1 ZINC000426361281 257252960 /nfs/dbraw/zinc/25/29/60/257252960.db2.gz MEWKEYFIKWVFAG-INIZCTEOSA-N 2 2 317.481 2.557 50 0 DFAALP c1cnn(C[C@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000071875560 184881222 /nfs/dbraw/zinc/88/12/22/184881222.db2.gz ZZBAUYDACFAIEF-GOSISDBHSA-N 2 2 307.401 2.733 50 0 DFAALP c1cnn(C[C@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000071875560 184881223 /nfs/dbraw/zinc/88/12/23/184881223.db2.gz ZZBAUYDACFAIEF-GOSISDBHSA-N 2 2 307.401 2.733 50 0 DFAALP c1cn(-c2ccc(C[N@H+]3CCO[C@H](c4cccnc4)C3)cc2)c[nH+]1 ZINC000216073036 542874654 /nfs/dbraw/zinc/87/46/54/542874654.db2.gz CCZLENZPWPVIOD-IBGZPJMESA-N 2 2 320.396 2.841 50 0 DFAALP CCn1ncnc1C[N@@H+]1CCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000215667778 542873138 /nfs/dbraw/zinc/87/31/38/542873138.db2.gz DZYZRAQICPELGV-QGZVFWFLSA-N 2 2 313.449 2.697 50 0 DFAALP CCn1ncnc1C[N@H+]1CCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000215667778 542873140 /nfs/dbraw/zinc/87/31/40/542873140.db2.gz DZYZRAQICPELGV-QGZVFWFLSA-N 2 2 313.449 2.697 50 0 DFAALP c1cn(-c2ccc(C[N@@H+]3CCO[C@H](c4cccnc4)C3)cc2)c[nH+]1 ZINC000216073036 542874649 /nfs/dbraw/zinc/87/46/49/542874649.db2.gz CCZLENZPWPVIOD-IBGZPJMESA-N 2 2 320.396 2.841 50 0 DFAALP O[C@]1(c2ccccc2)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000216077569 542874971 /nfs/dbraw/zinc/87/49/71/542874971.db2.gz CJJSFJCMIDBDSG-HXUWFJFHSA-N 2 2 319.408 2.966 50 0 DFAALP O[C@]1(c2ccccc2)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000216077569 542874975 /nfs/dbraw/zinc/87/49/75/542874975.db2.gz CJJSFJCMIDBDSG-HXUWFJFHSA-N 2 2 319.408 2.966 50 0 DFAALP c1ncn(C2CC2)c1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000303211465 543049044 /nfs/dbraw/zinc/04/90/44/543049044.db2.gz VJFPQKCDLNWDSY-UHFFFAOYSA-N 2 2 310.445 2.972 50 0 DFAALP O[C@@H](C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1)c1ccccc1 ZINC000299749902 229394728 /nfs/dbraw/zinc/39/47/28/229394728.db2.gz LZLJUUHLYUCBRS-LPHOPBHVSA-N 2 2 311.429 2.742 50 0 DFAALP O[C@@H](C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1)c1ccccc1 ZINC000299749902 229394732 /nfs/dbraw/zinc/39/47/32/229394732.db2.gz LZLJUUHLYUCBRS-LPHOPBHVSA-N 2 2 311.429 2.742 50 0 DFAALP C[NH+](C)CCCn1cc[nH+]c1-c1cc(F)ccc1-n1cccn1 ZINC000067605146 425911772 /nfs/dbraw/zinc/91/17/72/425911772.db2.gz MDAYSSPQHMXCGK-UHFFFAOYSA-N 2 2 313.380 2.827 50 0 DFAALP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(-c2ccc(F)cc2)no1 ZINC000067856341 425914079 /nfs/dbraw/zinc/91/40/79/425914079.db2.gz CIZMVUDEEPRZSK-LBPRGKRZSA-N 2 2 300.337 2.856 50 0 DFAALP C[NH+](C)CC(C)(C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000000221449 425546371 /nfs/dbraw/zinc/54/63/71/425546371.db2.gz SWDYZOSBDCGPIR-UHFFFAOYSA-N 3 2 317.521 2.871 50 0 DFAALP C[C@@H]1C[N@H+](C2CC[NH+](Cc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000012363346 425724279 /nfs/dbraw/zinc/72/42/79/425724279.db2.gz LAZNVXWGHHPATP-GASCZTMLSA-N 2 2 306.425 2.899 50 0 DFAALP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000012363346 425724282 /nfs/dbraw/zinc/72/42/82/425724282.db2.gz LAZNVXWGHHPATP-GASCZTMLSA-N 2 2 306.425 2.899 50 0 DFAALP COc1ccc(C[NH+]2CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000012363337 425724400 /nfs/dbraw/zinc/72/44/00/425724400.db2.gz FISVOPPNAGRPSW-IYBDPMFKSA-N 2 2 318.461 2.769 50 0 DFAALP COc1ccc(C[NH+]2CCC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000012363337 425724415 /nfs/dbraw/zinc/72/44/15/425724415.db2.gz FISVOPPNAGRPSW-IYBDPMFKSA-N 2 2 318.461 2.769 50 0 DFAALP Cc1cc(N2CC[NH+](Cc3cccnc3)CC2)nc(C(C)C)[nH+]1 ZINC000032819598 425839993 /nfs/dbraw/zinc/83/99/93/425839993.db2.gz XXSPBIZRPSJVBJ-UHFFFAOYSA-N 2 2 311.433 2.626 50 0 DFAALP COC(=O)c1sccc1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000108367582 426013883 /nfs/dbraw/zinc/01/38/83/426013883.db2.gz LRANPBAGKDBPDV-TZMCWYRMSA-N 2 2 319.430 2.814 50 0 DFAALP COC(=O)c1sccc1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000108367582 426013886 /nfs/dbraw/zinc/01/38/86/426013886.db2.gz LRANPBAGKDBPDV-TZMCWYRMSA-N 2 2 319.430 2.814 50 0 DFAALP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1c[nH]nc1C(C)(C)C)CCC2 ZINC000089702111 426303964 /nfs/dbraw/zinc/30/39/64/426303964.db2.gz NBFRSCXWKORROM-CYBMUJFWSA-N 2 2 301.438 2.879 50 0 DFAALP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2cc(C)sc2C)CC1 ZINC000095350318 426367112 /nfs/dbraw/zinc/36/71/12/426367112.db2.gz OBEJDYMXLVUVRL-ZIAGYGMSSA-N 2 2 323.506 2.568 50 0 DFAALP Cc1ccc([C@H](CCn2cncn2)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000095940764 426375111 /nfs/dbraw/zinc/37/51/11/426375111.db2.gz IRZCCEQIVGZBIC-SFHVURJKSA-N 2 2 324.432 2.594 50 0 DFAALP CC1CCC(O)(C[N@H+](C)C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000096483263 426434607 /nfs/dbraw/zinc/43/46/07/426434607.db2.gz MDFLNCUUGVIMNN-UHFFFAOYSA-N 2 2 317.477 2.923 50 0 DFAALP CC1CCC(O)(C[N@@H+](C)C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000096483263 426434610 /nfs/dbraw/zinc/43/46/10/426434610.db2.gz MDFLNCUUGVIMNN-UHFFFAOYSA-N 2 2 317.477 2.923 50 0 DFAALP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)C1(C)C ZINC000096493373 426436075 /nfs/dbraw/zinc/43/60/75/426436075.db2.gz RQEQJYFYRTYPTO-HUUCEWRRSA-N 2 2 300.406 2.561 50 0 DFAALP C[C@H]1CCC[N@H+](CCOc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000215972029 426555410 /nfs/dbraw/zinc/55/54/10/426555410.db2.gz PAJWZQMQUDFUJX-KRWDZBQOSA-N 2 2 318.461 2.630 50 0 DFAALP C[C@H]1CCC[N@@H+](CCOc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000215972029 426555413 /nfs/dbraw/zinc/55/54/13/426555413.db2.gz PAJWZQMQUDFUJX-KRWDZBQOSA-N 2 2 318.461 2.630 50 0 DFAALP C[C@H](Cc1cnccn1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000215523497 426553066 /nfs/dbraw/zinc/55/30/66/426553066.db2.gz OFBZLVWTRBQMIV-OAHLLOKOSA-N 2 2 307.401 2.725 50 0 DFAALP C[C@H](Cc1cnccn1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000215523497 426553069 /nfs/dbraw/zinc/55/30/69/426553069.db2.gz OFBZLVWTRBQMIV-OAHLLOKOSA-N 2 2 307.401 2.725 50 0 DFAALP CC[C@@H](NC(=O)C[N@H+](C)C1CC[NH2+]CC1)c1ccc(C)cc1C ZINC000215425182 426553558 /nfs/dbraw/zinc/55/35/58/426553558.db2.gz NMVYZEWFJXJTTK-GOSISDBHSA-N 2 2 317.477 2.555 50 0 DFAALP CC[C@@H](NC(=O)C[N@@H+](C)C1CC[NH2+]CC1)c1ccc(C)cc1C ZINC000215425182 426553563 /nfs/dbraw/zinc/55/35/63/426553563.db2.gz NMVYZEWFJXJTTK-GOSISDBHSA-N 2 2 317.477 2.555 50 0 DFAALP Fc1ccc([C@H]2C[N@H+](CCn3cc[nH+]c3)CCO2)c(Cl)c1 ZINC000187861981 426699001 /nfs/dbraw/zinc/69/90/01/426699001.db2.gz RXTKMEUYPUTNRB-OAHLLOKOSA-N 2 2 309.772 2.749 50 0 DFAALP Fc1ccc([C@H]2C[N@@H+](CCn3cc[nH+]c3)CCO2)c(Cl)c1 ZINC000187861981 426699005 /nfs/dbraw/zinc/69/90/05/426699005.db2.gz RXTKMEUYPUTNRB-OAHLLOKOSA-N 2 2 309.772 2.749 50 0 DFAALP COc1cc2c(cc1C[N@@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)OCO2 ZINC000244852832 426729854 /nfs/dbraw/zinc/72/98/54/426729854.db2.gz UZSWKFAZJROWGK-LBPRGKRZSA-N 2 2 315.373 2.527 50 0 DFAALP COc1cc2c(cc1C[N@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)OCO2 ZINC000244852832 426729857 /nfs/dbraw/zinc/72/98/57/426729857.db2.gz UZSWKFAZJROWGK-LBPRGKRZSA-N 2 2 315.373 2.527 50 0 DFAALP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000189583213 426896987 /nfs/dbraw/zinc/89/69/87/426896987.db2.gz DTABSYQOSBGPOE-HNNXBMFYSA-N 2 2 301.365 2.900 50 0 DFAALP C[N@H+](Cc1ccon1)Cc1ccc(OC[C@@H]2CCC[NH2+]C2)cc1 ZINC000299779283 427769667 /nfs/dbraw/zinc/76/96/67/427769667.db2.gz QLAANEADKAOKSL-MRXNPFEDSA-N 2 2 315.417 2.685 50 0 DFAALP C[N@@H+](Cc1ccon1)Cc1ccc(OC[C@@H]2CCC[NH2+]C2)cc1 ZINC000299779283 427769669 /nfs/dbraw/zinc/76/96/69/427769669.db2.gz QLAANEADKAOKSL-MRXNPFEDSA-N 2 2 315.417 2.685 50 0 DFAALP Cc1cc(N2CC[NH+](CC[C@H]3CCCO3)CC2)nc(C(C)C)[nH+]1 ZINC000188693614 323218872 /nfs/dbraw/zinc/21/88/72/323218872.db2.gz UQGWTGKOBUWHHT-MRXNPFEDSA-N 2 2 318.465 2.600 50 0 DFAALP CC1(C)COC2(CC[NH+](Cc3c[nH+]c4ccccn34)CC2)OC1 ZINC000095413155 185357911 /nfs/dbraw/zinc/35/79/11/185357911.db2.gz SIDARALSIKRXBU-UHFFFAOYSA-N 2 2 315.417 2.699 50 0 DFAALP c1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc(N2CCCCCC2)n1 ZINC000095422135 185360867 /nfs/dbraw/zinc/36/08/67/185360867.db2.gz BWFKVOSMTNUMMC-QGZVFWFLSA-N 2 2 314.477 2.788 50 0 DFAALP c1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc(N2CCCCCC2)n1 ZINC000095422135 185360868 /nfs/dbraw/zinc/36/08/68/185360868.db2.gz BWFKVOSMTNUMMC-QGZVFWFLSA-N 2 2 314.477 2.788 50 0 DFAALP C[N@@H+]1CC[C@@H](C[NH2+]C2Cc3ccccc3C2)[C@@H]1c1cccnc1 ZINC000328639086 529794085 /nfs/dbraw/zinc/79/40/85/529794085.db2.gz PKSPZFVRMXQSCI-ICSRJNTNSA-N 2 2 307.441 2.831 50 0 DFAALP C[N@H+]1CC[C@@H](C[NH2+]C2Cc3ccccc3C2)[C@@H]1c1cccnc1 ZINC000328639086 529794086 /nfs/dbraw/zinc/79/40/86/529794086.db2.gz PKSPZFVRMXQSCI-ICSRJNTNSA-N 2 2 307.441 2.831 50 0 DFAALP c1coc(C[NH+]2CCC([NH2+]Cc3cncn3C3CC3)CC2)c1 ZINC000584890766 398427069 /nfs/dbraw/zinc/42/70/69/398427069.db2.gz NTQPYIILSSRBSY-UHFFFAOYSA-N 2 2 300.406 2.565 50 0 DFAALP C[N@@H+]1CCCC[C@H]1C[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC000584888323 398427124 /nfs/dbraw/zinc/42/71/24/398427124.db2.gz ARAKIDSLJYOHQT-SFHVURJKSA-N 2 2 305.441 2.868 50 0 DFAALP C[N@H+]1CCCC[C@H]1C[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC000584888323 398427128 /nfs/dbraw/zinc/42/71/28/398427128.db2.gz ARAKIDSLJYOHQT-SFHVURJKSA-N 2 2 305.441 2.868 50 0 DFAALP C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000257365761 398427756 /nfs/dbraw/zinc/42/77/56/398427756.db2.gz KTGQGJPYDAZYKC-ZWKOTPCHSA-N 2 2 324.428 2.571 50 0 DFAALP C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000257365761 398427758 /nfs/dbraw/zinc/42/77/58/398427758.db2.gz KTGQGJPYDAZYKC-ZWKOTPCHSA-N 2 2 324.428 2.571 50 0 DFAALP OC1CC[NH+](C2CC[NH+](CCSc3ccccc3)CC2)CC1 ZINC000072156500 191059945 /nfs/dbraw/zinc/05/99/45/191059945.db2.gz HEDWDFDXAPHDNK-UHFFFAOYSA-N 2 2 320.502 2.700 50 0 DFAALP C[C@H]1CC[N@H+](Cc2ncnn2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000253396986 186305487 /nfs/dbraw/zinc/30/54/87/186305487.db2.gz SPGRBYHMIVNJFD-DOTOQJQBSA-N 2 2 322.416 2.547 50 0 DFAALP C[C@H]1CC[N@@H+](Cc2ncnn2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000253396986 186305489 /nfs/dbraw/zinc/30/54/89/186305489.db2.gz SPGRBYHMIVNJFD-DOTOQJQBSA-N 2 2 322.416 2.547 50 0 DFAALP Cn1cncc1C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000237922434 202391873 /nfs/dbraw/zinc/39/18/73/202391873.db2.gz FRHWSMVOCBBIME-UHFFFAOYSA-N 2 2 318.852 2.828 50 0 DFAALP COC[C@H]1CCC[N@H+](CC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000093337747 193235187 /nfs/dbraw/zinc/23/51/87/193235187.db2.gz XJEBYNIDXSTIDG-SFHVURJKSA-N 2 2 324.509 2.628 50 0 DFAALP COC[C@H]1CCC[N@@H+](CC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000093337747 193235188 /nfs/dbraw/zinc/23/51/88/193235188.db2.gz XJEBYNIDXSTIDG-SFHVURJKSA-N 2 2 324.509 2.628 50 0 DFAALP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(Cl)c1OC ZINC000106367146 194202122 /nfs/dbraw/zinc/20/21/22/194202122.db2.gz AVEAKENYBUAJHN-LBPRGKRZSA-N 2 2 312.841 2.789 50 0 DFAALP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(Cl)c1OC ZINC000106367146 194202124 /nfs/dbraw/zinc/20/21/24/194202124.db2.gz AVEAKENYBUAJHN-LBPRGKRZSA-N 2 2 312.841 2.789 50 0 DFAALP CCOC(=O)N1CCC([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000065376032 184331442 /nfs/dbraw/zinc/33/14/42/184331442.db2.gz LNKCMEQKRGDGGM-HNNXBMFYSA-N 2 2 322.453 2.508 50 0 DFAALP Cc1cc(N[C@@H](C)C[NH+]2CCOCC2)nc(-c2ccccc2)[nH+]1 ZINC000065456842 184347837 /nfs/dbraw/zinc/34/78/37/184347837.db2.gz IAPOVWLRSLPCHI-HNNXBMFYSA-N 2 2 312.417 2.585 50 0 DFAALP Cc1c[nH+]ccc1NC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000156924918 197151175 /nfs/dbraw/zinc/15/11/75/197151175.db2.gz HDKQMEBGGKZEKC-OAHLLOKOSA-N 2 2 302.422 2.730 50 0 DFAALP Clc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc2c1OCCO2 ZINC000055043122 542451898 /nfs/dbraw/zinc/45/18/98/542451898.db2.gz QCFIISPJTZMGIA-UHFFFAOYSA-N 2 2 322.836 2.828 50 0 DFAALP c1cn(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c[nH+]1 ZINC000245791771 146102715 /nfs/dbraw/zinc/10/27/15/146102715.db2.gz XKMMBROULDIIDK-VQTJNVASSA-N 3 2 324.472 2.870 50 0 DFAALP c1cn(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c[nH+]1 ZINC000245791771 146102718 /nfs/dbraw/zinc/10/27/18/146102718.db2.gz XKMMBROULDIIDK-VQTJNVASSA-N 3 2 324.472 2.870 50 0 DFAALP c1cn(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c[nH+]1 ZINC000245791771 146102720 /nfs/dbraw/zinc/10/27/20/146102720.db2.gz XKMMBROULDIIDK-VQTJNVASSA-N 3 2 324.472 2.870 50 0 DFAALP c1cn(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c[nH+]1 ZINC000245791771 146102723 /nfs/dbraw/zinc/10/27/23/146102723.db2.gz XKMMBROULDIIDK-VQTJNVASSA-N 3 2 324.472 2.870 50 0 DFAALP c1coc(CN2CCC([N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)CC2)c1 ZINC000670472324 544045536 /nfs/dbraw/zinc/04/55/36/544045536.db2.gz FBGDGJOCMOJRHT-HNNXBMFYSA-N 2 2 314.433 2.847 50 0 DFAALP c1coc(CN2CCC([N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)CC2)c1 ZINC000670472324 544045537 /nfs/dbraw/zinc/04/55/37/544045537.db2.gz FBGDGJOCMOJRHT-HNNXBMFYSA-N 2 2 314.433 2.847 50 0 DFAALP COc1ccccc1C[NH+]1CCC([N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000013893041 425762131 /nfs/dbraw/zinc/76/21/31/425762131.db2.gz YJTGSVKWEQSXJG-IYBDPMFKSA-N 2 2 318.461 2.769 50 0 DFAALP COc1ccccc1C[NH+]1CCC([N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000013893041 425762133 /nfs/dbraw/zinc/76/21/33/425762133.db2.gz YJTGSVKWEQSXJG-IYBDPMFKSA-N 2 2 318.461 2.769 50 0 DFAALP Cc1cc(C)n(C2C[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000071880744 425999033 /nfs/dbraw/zinc/99/90/33/425999033.db2.gz UFKLGDYEBKJDEB-UHFFFAOYSA-N 2 2 307.401 2.743 50 0 DFAALP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000071897333 426000822 /nfs/dbraw/zinc/00/08/22/426000822.db2.gz QIFIUZYXBMLJMO-AWEZNQCLSA-N 2 2 309.498 2.676 50 0 DFAALP CC(C)(C)c1cnc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)o1 ZINC000069590723 425948169 /nfs/dbraw/zinc/94/81/69/425948169.db2.gz XTTCLWRURRKFLJ-UHFFFAOYSA-N 2 2 321.465 2.516 50 0 DFAALP O[C@@]1(C[NH+]2CCCC2)CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000077470705 426135756 /nfs/dbraw/zinc/13/57/56/426135756.db2.gz CCFLGKUKLJNXFD-QGZVFWFLSA-N 2 2 308.853 2.763 50 0 DFAALP O[C@@]1(C[NH+]2CCCC2)CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000077470705 426135759 /nfs/dbraw/zinc/13/57/59/426135759.db2.gz CCFLGKUKLJNXFD-QGZVFWFLSA-N 2 2 308.853 2.763 50 0 DFAALP Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000130512703 426161261 /nfs/dbraw/zinc/16/12/61/426161261.db2.gz SXQPWUDGSXSWLG-INIZCTEOSA-N 2 2 322.416 2.944 50 0 DFAALP Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000130512703 426161265 /nfs/dbraw/zinc/16/12/65/426161265.db2.gz SXQPWUDGSXSWLG-INIZCTEOSA-N 2 2 322.416 2.944 50 0 DFAALP OC1CCC([NH2+][C@@H](Cn2cc[nH+]c2)c2cccc(F)c2)CC1 ZINC000089774737 426308170 /nfs/dbraw/zinc/30/81/70/426308170.db2.gz YXIXDIPKOZPRGF-JCYILVPMSA-N 2 2 303.381 2.657 50 0 DFAALP CC1CCC([NH2+]C[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000089798952 426309842 /nfs/dbraw/zinc/30/98/42/426309842.db2.gz FAJGGXYGGWMBIT-AWRGBYNESA-N 2 2 302.462 2.790 50 0 DFAALP CC1CCC([NH2+]C[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000089798952 426309845 /nfs/dbraw/zinc/30/98/45/426309845.db2.gz FAJGGXYGGWMBIT-AWRGBYNESA-N 2 2 302.462 2.790 50 0 DFAALP C[N@H+](C[C@H]1CC=CCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121196004 426322787 /nfs/dbraw/zinc/32/27/87/426322787.db2.gz CUZKTHKAJPVSBU-KRWDZBQOSA-N 2 2 302.466 2.636 50 0 DFAALP C[N@@H+](C[C@H]1CC=CCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121196004 426322789 /nfs/dbraw/zinc/32/27/89/426322789.db2.gz CUZKTHKAJPVSBU-KRWDZBQOSA-N 2 2 302.466 2.636 50 0 DFAALP CC1CCC(O)(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000090003897 426323293 /nfs/dbraw/zinc/32/32/93/426323293.db2.gz HLWHCMCFGSMDHZ-PQUAAJSLSA-N 2 2 305.466 2.616 50 0 DFAALP CC1CCC(O)(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000090003897 426323296 /nfs/dbraw/zinc/32/32/96/426323296.db2.gz HLWHCMCFGSMDHZ-PQUAAJSLSA-N 2 2 305.466 2.616 50 0 DFAALP CCCn1c2ccccc2nc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000121204180 426324413 /nfs/dbraw/zinc/32/44/13/426324413.db2.gz XVKTUDLZSFDRCY-OAHLLOKOSA-N 2 2 300.450 2.878 50 0 DFAALP CCCn1c2ccccc2nc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000121204180 426324416 /nfs/dbraw/zinc/32/44/16/426324416.db2.gz XVKTUDLZSFDRCY-OAHLLOKOSA-N 2 2 300.450 2.878 50 0 DFAALP COCCC[N@@H+]1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095391572 426371885 /nfs/dbraw/zinc/37/18/85/426371885.db2.gz GPNOSOQWCARHLA-AWEZNQCLSA-N 2 2 320.462 2.604 50 0 DFAALP COCCC[N@H+]1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095391572 426371887 /nfs/dbraw/zinc/37/18/87/426371887.db2.gz GPNOSOQWCARHLA-AWEZNQCLSA-N 2 2 320.462 2.604 50 0 DFAALP Cc1cc(NC(=O)N2CCC(CCC[NH+](C)C)CC2)cc[nH+]1 ZINC000095995691 426386068 /nfs/dbraw/zinc/38/60/68/426386068.db2.gz RPZZAKJRHDDYQV-UHFFFAOYSA-N 2 2 304.438 2.976 50 0 DFAALP Cc1n[nH]c(C[N@@H+]2CCCN(c3cc[nH+]cc3C)CC2)c1Cl ZINC000097601159 426471216 /nfs/dbraw/zinc/47/12/16/426471216.db2.gz SYSKIHBNMHWKBM-UHFFFAOYSA-N 2 2 319.840 2.787 50 0 DFAALP Cc1n[nH]c(C[N@H+]2CCCN(c3cc[nH+]cc3C)CC2)c1Cl ZINC000097601159 426471220 /nfs/dbraw/zinc/47/12/20/426471220.db2.gz SYSKIHBNMHWKBM-UHFFFAOYSA-N 2 2 319.840 2.787 50 0 DFAALP Cc1scc(CCNc2cc([C@H]3C[C@H]([NH3+])C3)[nH+]c(N)n2)c1C ZINC000219023220 426570234 /nfs/dbraw/zinc/57/02/34/426570234.db2.gz ODJZBZDEAFGOJY-BETUJISGSA-N 2 2 317.462 2.596 50 0 DFAALP Cc1[nH+]ccn1CC[N@@H+](C)Cc1nn(C)c2cccc(Cl)c12 ZINC000216170876 426556622 /nfs/dbraw/zinc/55/66/22/426556622.db2.gz RZLDOZFQDKQXLF-UHFFFAOYSA-N 2 2 317.824 2.864 50 0 DFAALP Cc1[nH+]ccn1CC[N@H+](C)Cc1nn(C)c2cccc(Cl)c12 ZINC000216170876 426556625 /nfs/dbraw/zinc/55/66/25/426556625.db2.gz RZLDOZFQDKQXLF-UHFFFAOYSA-N 2 2 317.824 2.864 50 0 DFAALP C[C@H](C(=O)N1CCCC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000229562618 426639931 /nfs/dbraw/zinc/63/99/31/426639931.db2.gz JPGVKJDCIDRRAT-MSOLQXFVSA-N 2 2 321.509 2.585 50 0 DFAALP C[C@H](C(=O)N1CCCC1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000229562618 426639935 /nfs/dbraw/zinc/63/99/35/426639935.db2.gz JPGVKJDCIDRRAT-MSOLQXFVSA-N 2 2 321.509 2.585 50 0 DFAALP Cc1cccc2[nH+]c(CCN(C)CC[N@@H+]3C[C@H]4CC[C@@H]3C4)[nH]c21 ZINC000244715756 426725524 /nfs/dbraw/zinc/72/55/24/426725524.db2.gz LBPKNGVOYRSTQL-JKSUJKDBSA-N 2 2 312.461 2.830 50 0 DFAALP Cc1cccc2[nH+]c(CCN(C)CC[N@H+]3C[C@H]4CC[C@@H]3C4)[nH]c21 ZINC000244715756 426725527 /nfs/dbraw/zinc/72/55/27/426725527.db2.gz LBPKNGVOYRSTQL-JKSUJKDBSA-N 2 2 312.461 2.830 50 0 DFAALP Cc1cccc2[nH]c(CCN(C)CC[N@@H+]3C[C@H]4CC[C@@H]3C4)[nH+]c21 ZINC000244715756 426725531 /nfs/dbraw/zinc/72/55/31/426725531.db2.gz LBPKNGVOYRSTQL-JKSUJKDBSA-N 2 2 312.461 2.830 50 0 DFAALP Cc1cccc2[nH]c(CCN(C)CC[N@H+]3C[C@H]4CC[C@@H]3C4)[nH+]c21 ZINC000244715756 426725534 /nfs/dbraw/zinc/72/55/34/426725534.db2.gz LBPKNGVOYRSTQL-JKSUJKDBSA-N 2 2 312.461 2.830 50 0 DFAALP CCn1ccc(C[N@@H+]2CCCC[C@H]2CCn2cc[nH+]c2C)n1 ZINC000244763927 426727280 /nfs/dbraw/zinc/72/72/80/426727280.db2.gz OYBRMAHNYBDGEV-KRWDZBQOSA-N 2 2 301.438 2.853 50 0 DFAALP CCn1ccc(C[N@H+]2CCCC[C@H]2CCn2cc[nH+]c2C)n1 ZINC000244763927 426727285 /nfs/dbraw/zinc/72/72/85/426727285.db2.gz OYBRMAHNYBDGEV-KRWDZBQOSA-N 2 2 301.438 2.853 50 0 DFAALP Cc1cc(N2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)cc[nH+]1 ZINC000274781227 426834902 /nfs/dbraw/zinc/83/49/02/426834902.db2.gz DVCNPGSMZQJNHA-UHFFFAOYSA-N 2 2 313.449 2.664 50 0 DFAALP Cc1ncc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)s1 ZINC000190487440 427125863 /nfs/dbraw/zinc/12/58/63/427125863.db2.gz FURXJEPVPDPNNX-INIZCTEOSA-N 2 2 316.474 2.800 50 0 DFAALP Cc1ncc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)s1 ZINC000190487440 427125868 /nfs/dbraw/zinc/12/58/68/427125868.db2.gz FURXJEPVPDPNNX-INIZCTEOSA-N 2 2 316.474 2.800 50 0 DFAALP Cc1ncc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)s1 ZINC000190487440 427125876 /nfs/dbraw/zinc/12/58/76/427125876.db2.gz FURXJEPVPDPNNX-INIZCTEOSA-N 2 2 316.474 2.800 50 0 DFAALP Cc1ncc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)s1 ZINC000190487440 427125883 /nfs/dbraw/zinc/12/58/83/427125883.db2.gz FURXJEPVPDPNNX-INIZCTEOSA-N 2 2 316.474 2.800 50 0 DFAALP C[N@H+]1CC[C@H](C[NH2+]Cc2ncc[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000252486441 427179079 /nfs/dbraw/zinc/17/90/79/427179079.db2.gz KBCDEQNUCVVROQ-MLGOLLRUSA-N 2 2 322.815 2.985 50 0 DFAALP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCCSC)[C@@H]1c1cnn(C)c1 ZINC000328643523 529045908 /nfs/dbraw/zinc/04/59/08/529045908.db2.gz RIKYGQRINOVJIS-DOTOQJQBSA-N 2 2 324.538 2.878 50 0 DFAALP CC[N@H+]1CCC[C@@H](C[NH+](C)CCCSC)[C@@H]1c1cnn(C)c1 ZINC000328643523 529045913 /nfs/dbraw/zinc/04/59/13/529045913.db2.gz RIKYGQRINOVJIS-DOTOQJQBSA-N 2 2 324.538 2.878 50 0 DFAALP CC[NH+]1CCC[C@@H](C[N@H+](C)CCCSC)[C@@H]1c1cnn(C)c1 ZINC000328643523 529045918 /nfs/dbraw/zinc/04/59/18/529045918.db2.gz RIKYGQRINOVJIS-DOTOQJQBSA-N 2 2 324.538 2.878 50 0 DFAALP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCCSC)[C@@H]1c1cnn(C)c1 ZINC000328643523 529045923 /nfs/dbraw/zinc/04/59/23/529045923.db2.gz RIKYGQRINOVJIS-DOTOQJQBSA-N 2 2 324.538 2.878 50 0 DFAALP CN1CC[C@H]([N@H+](C)Cc2cc(C[NH+]3CCCCC3)cs2)C1 ZINC000230577324 563773529 /nfs/dbraw/zinc/77/35/29/563773529.db2.gz LKYSPYZCHZAQDU-INIZCTEOSA-N 2 2 307.507 2.870 50 0 DFAALP CN1CC[C@H]([N@@H+](C)Cc2cc(C[NH+]3CCCCC3)cs2)C1 ZINC000230577324 563773531 /nfs/dbraw/zinc/77/35/31/563773531.db2.gz LKYSPYZCHZAQDU-INIZCTEOSA-N 2 2 307.507 2.870 50 0 DFAALP