smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc[nH+]c(N2CCC[C@H]([NH+]3CCCCCC3)C2)c1 ZINC000091482476 345816227 /nfs/dbraw/zinc/81/62/27/345816227.db2.gz HGMWXWCQCIUGJY-INIZCTEOSA-N 2 2 273.424 3.235 10 0 CGAELP Cc1cc2ccccc2[nH+]c1N1CCC([C@H](C)[NH3+])CC1 ZINC000111612478 345949957 /nfs/dbraw/zinc/94/99/57/345949957.db2.gz SXAPOHKFSHGMES-ZDUSSCGKSA-N 2 2 269.392 3.107 10 0 CGAELP Cc1cc2ccccc2[nH+]c1N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000111716051 345951137 /nfs/dbraw/zinc/95/11/37/345951137.db2.gz XRQOOUSITCQBDA-UKRRQHHQSA-N 2 2 269.392 3.107 10 0 CGAELP [NH3+][C@H](c1ccccc1)[C@H]([NH3+])c1c(Cl)cc(O)cc1Cl ZINC000137376947 346093976 /nfs/dbraw/zinc/09/39/76/346093976.db2.gz VKFFVLQURYEYPA-ZIAGYGMSSA-N 2 2 297.185 3.399 10 0 CGAELP Cc1ccc([C@H]2CCCC[N@H+]2Cc2c[nH+]cn2C)o1 ZINC000177128080 189030897 /nfs/dbraw/zinc/03/08/97/189030897.db2.gz KMJSLWWKTBPYKG-CQSZACIVSA-N 2 2 259.353 3.049 10 0 CGAELP Cc1ccc([C@H]2CCCC[N@@H+]2Cc2c[nH+]cn2C)o1 ZINC000177128080 189030898 /nfs/dbraw/zinc/03/08/98/189030898.db2.gz KMJSLWWKTBPYKG-CQSZACIVSA-N 2 2 259.353 3.049 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCc1ccc(C)cc1 ZINC000178748535 189142731 /nfs/dbraw/zinc/14/27/31/189142731.db2.gz DFGNCGOCTOVKSH-SFHVURJKSA-N 2 2 283.419 3.207 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCc1ccc(C)cc1 ZINC000178748535 189142732 /nfs/dbraw/zinc/14/27/32/189142732.db2.gz DFGNCGOCTOVKSH-SFHVURJKSA-N 2 2 283.419 3.207 10 0 CGAELP Cc1cccc2c(N(C)CCCn3cc[nH+]c3)cc[nH+]c12 ZINC000301688074 201139558 /nfs/dbraw/zinc/13/95/58/201139558.db2.gz IXVKHKPLKVMYHO-UHFFFAOYSA-N 2 2 280.375 3.266 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2csc(C)n2)C1 ZINC000120734961 370794811 /nfs/dbraw/zinc/79/48/11/370794811.db2.gz VKSICDWGDYQYLB-CQSZACIVSA-N 2 2 290.436 3.048 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2csc(C)n2)C1 ZINC000120734961 370794815 /nfs/dbraw/zinc/79/48/15/370794815.db2.gz VKSICDWGDYQYLB-CQSZACIVSA-N 2 2 290.436 3.048 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000040502273 369157612 /nfs/dbraw/zinc/15/76/12/369157612.db2.gz SXRGXKTZQSKOEK-DZGCQCFKSA-N 2 2 276.449 3.297 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000040502273 369157616 /nfs/dbraw/zinc/15/76/16/369157616.db2.gz SXRGXKTZQSKOEK-DZGCQCFKSA-N 2 2 276.449 3.297 10 0 CGAELP Cc1cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)ccc1F ZINC000092812637 370102770 /nfs/dbraw/zinc/10/27/70/370102770.db2.gz SHSOATYXIBOSFE-INIZCTEOSA-N 2 2 299.393 3.463 10 0 CGAELP Cc1cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)ccc1F ZINC000092812637 370102775 /nfs/dbraw/zinc/10/27/75/370102775.db2.gz SHSOATYXIBOSFE-INIZCTEOSA-N 2 2 299.393 3.463 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nc(C)cs2)C1 ZINC000130613180 371046216 /nfs/dbraw/zinc/04/62/16/371046216.db2.gz RIOMZWCXJJBVCG-ZDUSSCGKSA-N 2 2 290.436 3.048 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nc(C)cs2)C1 ZINC000130613180 371046225 /nfs/dbraw/zinc/04/62/25/371046225.db2.gz RIOMZWCXJJBVCG-ZDUSSCGKSA-N 2 2 290.436 3.048 10 0 CGAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(C)(C)C ZINC000163325741 372462032 /nfs/dbraw/zinc/46/20/32/372462032.db2.gz WYIBOLYAQQNSTH-VYDXJSESSA-N 2 2 289.467 3.316 10 0 CGAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(C)(C)C ZINC000163325741 372462037 /nfs/dbraw/zinc/46/20/37/372462037.db2.gz WYIBOLYAQQNSTH-VYDXJSESSA-N 2 2 289.467 3.316 10 0 CGAELP COc1cccc([C@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000176912278 373639858 /nfs/dbraw/zinc/63/98/58/373639858.db2.gz XGPATIPEMBATDQ-YOEHRIQHSA-N 2 2 299.418 3.426 10 0 CGAELP COc1cccc([C@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000176912278 373639868 /nfs/dbraw/zinc/63/98/68/373639868.db2.gz XGPATIPEMBATDQ-YOEHRIQHSA-N 2 2 299.418 3.426 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC23CCCCC3)C1 ZINC000313008406 374297381 /nfs/dbraw/zinc/29/73/81/374297381.db2.gz NWSZSDCQIXDUHG-GJZGRUSLSA-N 2 2 250.430 3.173 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCC23CCCCC3)C1 ZINC000313008406 374297387 /nfs/dbraw/zinc/29/73/87/374297387.db2.gz NWSZSDCQIXDUHG-GJZGRUSLSA-N 2 2 250.430 3.173 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(C(F)(F)F)c2)C1 ZINC000328343471 374363002 /nfs/dbraw/zinc/36/30/02/374363002.db2.gz LOBLDHKNOBPXAF-RISCZKNCSA-N 2 2 286.341 3.450 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(C(F)(F)F)c2)C1 ZINC000328343471 374363009 /nfs/dbraw/zinc/36/30/09/374363009.db2.gz LOBLDHKNOBPXAF-RISCZKNCSA-N 2 2 286.341 3.450 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCSc3ccc(F)cc32)C1 ZINC000328321108 374363616 /nfs/dbraw/zinc/36/36/16/374363616.db2.gz DVFMYMVXMJLDSL-JSGCOSHPSA-N 2 2 280.412 3.046 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCSc3ccc(F)cc32)C1 ZINC000328321108 374363621 /nfs/dbraw/zinc/36/36/21/374363621.db2.gz DVFMYMVXMJLDSL-JSGCOSHPSA-N 2 2 280.412 3.046 10 0 CGAELP COCc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000245599427 376865384 /nfs/dbraw/zinc/86/53/84/376865384.db2.gz MCLQHGSRIQOLDW-CRAIPNDOSA-N 2 2 299.418 3.113 10 0 CGAELP COCc1cccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000245599427 376865388 /nfs/dbraw/zinc/86/53/88/376865388.db2.gz MCLQHGSRIQOLDW-CRAIPNDOSA-N 2 2 299.418 3.113 10 0 CGAELP C[C@@H]1CC[N@H+](CCCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000247674320 377232341 /nfs/dbraw/zinc/23/23/41/377232341.db2.gz RDZMBMBSPSROQN-SJLPKXTDSA-N 2 2 283.419 3.399 10 0 CGAELP C[C@@H]1CC[N@@H+](CCCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000247674320 377232352 /nfs/dbraw/zinc/23/23/52/377232352.db2.gz RDZMBMBSPSROQN-SJLPKXTDSA-N 2 2 283.419 3.399 10 0 CGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccoc1 ZINC000248163667 377274625 /nfs/dbraw/zinc/27/46/25/377274625.db2.gz SODJQMNYHDPTCC-RLFYNMQTSA-N 2 2 299.418 3.236 10 0 CGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccoc1 ZINC000248163667 377274627 /nfs/dbraw/zinc/27/46/27/377274627.db2.gz SODJQMNYHDPTCC-RLFYNMQTSA-N 2 2 299.418 3.236 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000248567745 377349473 /nfs/dbraw/zinc/34/94/73/377349473.db2.gz JWLWWLSANYDHQA-LSDHHAIUSA-N 2 2 291.439 3.040 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000248567745 377349476 /nfs/dbraw/zinc/34/94/76/377349476.db2.gz JWLWWLSANYDHQA-LSDHHAIUSA-N 2 2 291.439 3.040 10 0 CGAELP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@@H](C)c3ccccc32)n1C ZINC000579026097 378123912 /nfs/dbraw/zinc/12/39/12/378123912.db2.gz SARUPZSMWPNQAD-SJKOYZFVSA-N 2 2 269.392 3.457 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+]C2CC(c3ccc(Cl)cc3)C2)C1 ZINC000389543955 379899894 /nfs/dbraw/zinc/89/98/94/379899894.db2.gz LJDZVXRUDGUTIO-SIWZUTFBSA-N 2 2 278.827 3.270 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+]C2CC(c3ccc(Cl)cc3)C2)C1 ZINC000389543955 379899905 /nfs/dbraw/zinc/89/99/05/379899905.db2.gz LJDZVXRUDGUTIO-SIWZUTFBSA-N 2 2 278.827 3.270 10 0 CGAELP C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)[C@@H]1CCC[NH2+]1 ZINC000400333978 379947940 /nfs/dbraw/zinc/94/79/40/379947940.db2.gz CPIIPTVBIZRRCV-UTLUCORTSA-N 2 2 258.818 3.193 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000106216175 392299186 /nfs/dbraw/zinc/29/91/86/392299186.db2.gz IHWXYBXTOYSSKY-MRXNPFEDSA-N 2 2 287.382 3.422 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000106216175 392299199 /nfs/dbraw/zinc/29/91/99/392299199.db2.gz IHWXYBXTOYSSKY-MRXNPFEDSA-N 2 2 287.382 3.422 10 0 CGAELP Cc1cccc(N2CCC[C@H]([NH+]3CCCCCC3)C2)[nH+]1 ZINC000157481556 392550423 /nfs/dbraw/zinc/55/04/23/392550423.db2.gz YKQMGVAVIYDUMD-INIZCTEOSA-N 2 2 273.424 3.235 10 0 CGAELP CCCC[C@@H]([NH2+]CC[NH+](C)C)c1ccc(F)cc1 ZINC000020083661 170987186 /nfs/dbraw/zinc/98/71/86/170987186.db2.gz WEGHDPCUUWCIOO-OAHLLOKOSA-N 2 2 252.377 3.208 10 0 CGAELP Cc1ccccc1[C@@H](C[NH3+])[N@H+](C)CCc1ccccc1 ZINC000020225471 171088690 /nfs/dbraw/zinc/08/86/90/171088690.db2.gz KIULNOHISOHDIA-GOSISDBHSA-N 2 2 268.404 3.169 10 0 CGAELP Cc1ccccc1[C@@H](C[NH3+])[N@@H+](C)CCc1ccccc1 ZINC000020225471 171088694 /nfs/dbraw/zinc/08/86/94/171088694.db2.gz KIULNOHISOHDIA-GOSISDBHSA-N 2 2 268.404 3.169 10 0 CGAELP CCCOc1cccc([C@@H](C[NH3+])[N@H+](C)CC(C)(C)C)c1 ZINC000020226620 171090968 /nfs/dbraw/zinc/09/09/68/171090968.db2.gz UAIJUHPTCKSNET-MRXNPFEDSA-N 2 2 278.440 3.453 10 0 CGAELP CCCOc1cccc([C@@H](C[NH3+])[N@@H+](C)CC(C)(C)C)c1 ZINC000020226620 171090970 /nfs/dbraw/zinc/09/09/70/171090970.db2.gz UAIJUHPTCKSNET-MRXNPFEDSA-N 2 2 278.440 3.453 10 0 CGAELP CC(C)C[C@@](C)(C[NH3+])[N@H+](C)Cc1cccc(F)c1 ZINC000020266490 171123648 /nfs/dbraw/zinc/12/36/48/171123648.db2.gz PPKWUZCUMIITDX-HNNXBMFYSA-N 2 2 252.377 3.021 10 0 CGAELP CC(C)C[C@@](C)(C[NH3+])[N@@H+](C)Cc1cccc(F)c1 ZINC000020266490 171123650 /nfs/dbraw/zinc/12/36/50/171123650.db2.gz PPKWUZCUMIITDX-HNNXBMFYSA-N 2 2 252.377 3.021 10 0 CGAELP C[N@H+]([C@@H](C[NH3+])c1ccc(F)c(F)c1)C1CCCCC1 ZINC000022170515 171367797 /nfs/dbraw/zinc/36/77/97/171367797.db2.gz KKDXQZXOJWRPEW-HNNXBMFYSA-N 2 2 268.351 3.229 10 0 CGAELP C[N@@H+]([C@@H](C[NH3+])c1ccc(F)c(F)c1)C1CCCCC1 ZINC000022170515 171367798 /nfs/dbraw/zinc/36/77/98/171367798.db2.gz KKDXQZXOJWRPEW-HNNXBMFYSA-N 2 2 268.351 3.229 10 0 CGAELP C[NH+](C)[C@@H](C[NH3+])c1cccc(Oc2ccccc2)c1 ZINC000022210175 171372891 /nfs/dbraw/zinc/37/28/91/171372891.db2.gz LBKOFPGWSIUVKN-INIZCTEOSA-N 2 2 256.349 3.040 10 0 CGAELP [NH3+]C[C@@H](c1ccc2ccccc2c1)[NH+]1CCCCC1 ZINC000022218802 171376909 /nfs/dbraw/zinc/37/69/09/171376909.db2.gz UEHDFGODAVPFEN-KRWDZBQOSA-N 2 2 254.377 3.326 10 0 CGAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(Br)cc1 ZINC000035570411 172266454 /nfs/dbraw/zinc/26/64/54/172266454.db2.gz MBJGBDQUTZMQMR-LBPRGKRZSA-N 2 2 294.196 3.066 10 0 CGAELP CCC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(C)c(C)c1 ZINC000035586648 172285569 /nfs/dbraw/zinc/28/55/69/172285569.db2.gz LOMIHFBEHQNGOX-OAHLLOKOSA-N 2 2 257.381 3.310 10 0 CGAELP CCCn1c2ccc(C)cc2[nH+]c1CC[NH2+]C1CC1 ZINC000037599623 173553085 /nfs/dbraw/zinc/55/30/85/173553085.db2.gz ZUPPXEAOXLFXLE-UHFFFAOYSA-N 2 2 257.381 3.049 10 0 CGAELP CC1(C)CC[C@@]2(CCC[N@H+](Cc3ccccc3)C2)[NH2+]1 ZINC000076697637 177060794 /nfs/dbraw/zinc/06/07/94/177060794.db2.gz YGGYPJDHPPWODR-QGZVFWFLSA-N 2 2 258.409 3.183 10 0 CGAELP CC1(C)CC[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)[NH2+]1 ZINC000076697637 177060795 /nfs/dbraw/zinc/06/07/95/177060795.db2.gz YGGYPJDHPPWODR-QGZVFWFLSA-N 2 2 258.409 3.183 10 0 CGAELP CC1(C)CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)[C@@H]21 ZINC000076697518 177061078 /nfs/dbraw/zinc/06/10/78/177061078.db2.gz YHEVCQKICFAAOX-HOTGVXAUSA-N 2 2 258.409 3.039 10 0 CGAELP CC1(C)CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)[C@@H]21 ZINC000076697518 177061079 /nfs/dbraw/zinc/06/10/79/177061079.db2.gz YHEVCQKICFAAOX-HOTGVXAUSA-N 2 2 258.409 3.039 10 0 CGAELP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000020306005 262245068 /nfs/dbraw/zinc/24/50/68/262245068.db2.gz MBARXTBRODKJEF-PMPSAXMXSA-N 2 2 263.429 3.324 10 0 CGAELP CCCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000222697131 270086338 /nfs/dbraw/zinc/08/63/38/270086338.db2.gz WKGKMWOHWFQRLC-WMLDXEAASA-N 2 2 260.425 3.384 10 0 CGAELP CCCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000222697131 270086339 /nfs/dbraw/zinc/08/63/39/270086339.db2.gz WKGKMWOHWFQRLC-WMLDXEAASA-N 2 2 260.425 3.384 10 0 CGAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1cccc(Cl)c1 ZINC000396673364 288015308 /nfs/dbraw/zinc/01/53/08/288015308.db2.gz RPGWOPBTTIAGLC-WDMOLILDSA-N 2 2 252.789 3.131 10 0 CGAELP CCC[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2cc(C)sc2C)C1 ZINC000049508943 520093799 /nfs/dbraw/zinc/09/37/99/520093799.db2.gz ZSRDPLZEIVPHEW-JSGCOSHPSA-N 2 2 266.454 3.500 10 0 CGAELP CCC[NH2+][C@H]1CC[N@H+]([C@@H](C)c2cc(C)sc2C)C1 ZINC000049508943 520093804 /nfs/dbraw/zinc/09/38/04/520093804.db2.gz ZSRDPLZEIVPHEW-JSGCOSHPSA-N 2 2 266.454 3.500 10 0 CGAELP CCCOc1cccc([C@H](C[NH3+])[N@H+](CC)C(C)C)c1 ZINC000052920939 520468466 /nfs/dbraw/zinc/46/84/66/520468466.db2.gz RZEQBWDLFFFKBE-INIZCTEOSA-N 2 2 264.413 3.206 10 0 CGAELP CCCOc1cccc([C@H](C[NH3+])[N@@H+](CC)C(C)C)c1 ZINC000052920939 520468474 /nfs/dbraw/zinc/46/84/74/520468474.db2.gz RZEQBWDLFFFKBE-INIZCTEOSA-N 2 2 264.413 3.206 10 0 CGAELP CC[N@H+](Cc1ccc(F)cc1F)C1(C[NH3+])CCCC1 ZINC000050872207 521315207 /nfs/dbraw/zinc/31/52/07/521315207.db2.gz WSOFDJNMUZIYOU-UHFFFAOYSA-N 2 2 268.351 3.058 10 0 CGAELP CC[N@@H+](Cc1ccc(F)cc1F)C1(C[NH3+])CCCC1 ZINC000050872207 521315212 /nfs/dbraw/zinc/31/52/12/521315212.db2.gz WSOFDJNMUZIYOU-UHFFFAOYSA-N 2 2 268.351 3.058 10 0 CGAELP CCCn1c(C[C@@H](C)[NH2+]CC)[nH+]c2cc(C)ccc21 ZINC000061181851 521630801 /nfs/dbraw/zinc/63/08/01/521630801.db2.gz AGFWXQKOVPSBCJ-CYBMUJFWSA-N 2 2 259.397 3.295 10 0 CGAELP CC[N@H+](CC[NH2+]Cc1ccccc1)Cc1ccccc1 ZINC000053374824 345118847 /nfs/dbraw/zinc/11/88/47/345118847.db2.gz CDHRVOKWLXOXRZ-UHFFFAOYSA-N 2 2 268.404 3.298 10 0 CGAELP CC[N@@H+](CC[NH2+]Cc1ccccc1)Cc1ccccc1 ZINC000053374824 345118848 /nfs/dbraw/zinc/11/88/48/345118848.db2.gz CDHRVOKWLXOXRZ-UHFFFAOYSA-N 2 2 268.404 3.298 10 0 CGAELP c1ccc2[nH+]c(N3CCC[C@H]([NH+]4CCCCCC4)C3)[nH]c2c1 ZINC000091482379 345816717 /nfs/dbraw/zinc/81/67/17/345816717.db2.gz IPJOPIPFQXQNNO-HNNXBMFYSA-N 2 2 298.434 3.408 10 0 CGAELP C[C@H]1[N@H+](Cc2ccccc2)CC[C@]12[NH2+]CCc1sccc12 ZINC000307546730 346463679 /nfs/dbraw/zinc/46/36/79/346463679.db2.gz BQQVENUDELYOPD-KDOFPFPSSA-N 2 2 298.455 3.384 10 0 CGAELP C[C@H]1[N@@H+](Cc2ccccc2)CC[C@]12[NH2+]CCc1sccc12 ZINC000307546730 346463682 /nfs/dbraw/zinc/46/36/82/346463682.db2.gz BQQVENUDELYOPD-KDOFPFPSSA-N 2 2 298.455 3.384 10 0 CGAELP Nc1cccc(C2CC[NH+](Cc3ccccc3)CC2)[nH+]1 ZINC000616621388 348848048 /nfs/dbraw/zinc/84/80/48/348848048.db2.gz QNKLKUAPMNMNNQ-UHFFFAOYSA-N 2 2 267.376 3.043 10 0 CGAELP Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812711 370103159 /nfs/dbraw/zinc/10/31/59/370103159.db2.gz YEEZVBGVTSGVEU-HNNXBMFYSA-N 2 2 299.393 3.463 10 0 CGAELP Cc1cc(F)ccc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812711 370103163 /nfs/dbraw/zinc/10/31/63/370103163.db2.gz YEEZVBGVTSGVEU-HNNXBMFYSA-N 2 2 299.393 3.463 10 0 CGAELP c1csc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812913 370103328 /nfs/dbraw/zinc/10/33/28/370103328.db2.gz AOAKIOBWKJEWMW-ZDUSSCGKSA-N 2 2 273.405 3.077 10 0 CGAELP c1csc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812913 370103332 /nfs/dbraw/zinc/10/33/32/370103332.db2.gz AOAKIOBWKJEWMW-ZDUSSCGKSA-N 2 2 273.405 3.077 10 0 CGAELP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(F)c(Cl)c1 ZINC000112342744 370422075 /nfs/dbraw/zinc/42/20/75/370422075.db2.gz WBLNPRGERPGRLW-QMMMGPOBSA-N 2 2 253.708 3.053 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000133059983 371223687 /nfs/dbraw/zinc/22/36/87/371223687.db2.gz VAIJDDKHGKVNJL-NVXWUHKLSA-N 2 2 290.476 3.091 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000133059983 371223692 /nfs/dbraw/zinc/22/36/92/371223692.db2.gz VAIJDDKHGKVNJL-NVXWUHKLSA-N 2 2 290.476 3.091 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1C ZINC000178292546 373762320 /nfs/dbraw/zinc/76/23/20/373762320.db2.gz YLKOUKQDTNCGQO-GOSISDBHSA-N 2 2 283.419 3.473 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc(C)ccc1C ZINC000178292546 373762324 /nfs/dbraw/zinc/76/23/24/373762324.db2.gz YLKOUKQDTNCGQO-GOSISDBHSA-N 2 2 283.419 3.473 10 0 CGAELP COc1c(C)cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1C ZINC000188402955 375210549 /nfs/dbraw/zinc/21/05/49/375210549.db2.gz CPLMWAUZODYQLP-QGZVFWFLSA-N 2 2 299.418 3.173 10 0 CGAELP COc1c(C)cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1C ZINC000188402955 375210558 /nfs/dbraw/zinc/21/05/58/375210558.db2.gz CPLMWAUZODYQLP-QGZVFWFLSA-N 2 2 299.418 3.173 10 0 CGAELP C[C@H]1CC[N@H+](Cc2cccnc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000245610703 376867557 /nfs/dbraw/zinc/86/75/57/376867557.db2.gz NYWULHFBTMQZCI-GXTWGEPZSA-N 2 2 290.798 3.015 10 0 CGAELP C[C@H]1CC[N@@H+](Cc2cccnc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000245610703 376867565 /nfs/dbraw/zinc/86/75/65/376867565.db2.gz NYWULHFBTMQZCI-GXTWGEPZSA-N 2 2 290.798 3.015 10 0 CGAELP CC(C)[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000070281681 392180073 /nfs/dbraw/zinc/18/00/73/392180073.db2.gz PJQYDTHPOAWOEL-DZGCQCFKSA-N 2 2 266.816 3.331 10 0 CGAELP CC(C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000070281681 392180077 /nfs/dbraw/zinc/18/00/77/392180077.db2.gz PJQYDTHPOAWOEL-DZGCQCFKSA-N 2 2 266.816 3.331 10 0 CGAELP C[N@H+](CC1CCCCC1)[C@H](C[NH3+])c1ccccc1F ZINC000020225631 171088129 /nfs/dbraw/zinc/08/81/29/171088129.db2.gz VYASGKQLVGVDCG-MRXNPFEDSA-N 2 2 264.388 3.338 10 0 CGAELP C[N@@H+](CC1CCCCC1)[C@H](C[NH3+])c1ccccc1F ZINC000020225631 171088130 /nfs/dbraw/zinc/08/81/30/171088130.db2.gz VYASGKQLVGVDCG-MRXNPFEDSA-N 2 2 264.388 3.338 10 0 CGAELP COc1ccccc1[C@H](C[NH3+])[N@H+](C)CC1CCCCC1 ZINC000020225785 171089957 /nfs/dbraw/zinc/08/99/57/171089957.db2.gz ANIKGQIDZXMOJX-INIZCTEOSA-N 2 2 276.424 3.207 10 0 CGAELP COc1ccccc1[C@H](C[NH3+])[N@@H+](C)CC1CCCCC1 ZINC000020225785 171089959 /nfs/dbraw/zinc/08/99/59/171089959.db2.gz ANIKGQIDZXMOJX-INIZCTEOSA-N 2 2 276.424 3.207 10 0 CGAELP COc1cccc([C@@H](C[NH3+])[N@H+](C)Cc2cccc(C)c2)c1 ZINC000020225800 171090520 /nfs/dbraw/zinc/09/05/20/171090520.db2.gz LBZYPLRRHJLKSH-GOSISDBHSA-N 2 2 284.403 3.135 10 0 CGAELP COc1cccc([C@@H](C[NH3+])[N@@H+](C)Cc2cccc(C)c2)c1 ZINC000020225800 171090523 /nfs/dbraw/zinc/09/05/23/171090523.db2.gz LBZYPLRRHJLKSH-GOSISDBHSA-N 2 2 284.403 3.135 10 0 CGAELP C[C@H]1CCC[C@H]([NH2+][C@@H](C[NH+](C)C)c2ccccc2)C1 ZINC000020561327 171251770 /nfs/dbraw/zinc/25/17/70/171251770.db2.gz FTUNIKSAAGBKJS-XIRDDKMYSA-N 2 2 260.425 3.458 10 0 CGAELP CCC(C)(C)C1CCC(C[NH3+])([N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000021012916 171288552 /nfs/dbraw/zinc/28/85/52/171288552.db2.gz MJXQYJNLEZAMQM-SFYZZRBRSA-N 2 2 296.499 3.420 10 0 CGAELP CCC(C)(C)C1CCC(C[NH3+])([N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000021012916 171288553 /nfs/dbraw/zinc/28/85/53/171288553.db2.gz MJXQYJNLEZAMQM-SFYZZRBRSA-N 2 2 296.499 3.420 10 0 CGAELP Cc1ccc([C@H]([NH3+])C[N@@H+]2CCc3ccccc3C2)c(C)c1 ZINC000022565962 171392044 /nfs/dbraw/zinc/39/20/44/171392044.db2.gz NBJYEJLBTBROGX-LJQANCHMSA-N 2 2 280.415 3.362 10 0 CGAELP Cc1ccc([C@H]([NH3+])C[N@H+]2CCc3ccccc3C2)c(C)c1 ZINC000022565962 171392046 /nfs/dbraw/zinc/39/20/46/171392046.db2.gz NBJYEJLBTBROGX-LJQANCHMSA-N 2 2 280.415 3.362 10 0 CGAELP CC1CCC(C[NH3+])([N@@H+]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000035176767 172030410 /nfs/dbraw/zinc/03/04/10/172030410.db2.gz BKOUXVURSBPZSK-JCCCHCCOSA-N 2 2 264.457 3.406 10 0 CGAELP CC1CCC(C[NH3+])([N@H+]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000035176767 172030413 /nfs/dbraw/zinc/03/04/13/172030413.db2.gz BKOUXVURSBPZSK-JCCCHCCOSA-N 2 2 264.457 3.406 10 0 CGAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(Cl)c(Cl)c1 ZINC000035504007 172237866 /nfs/dbraw/zinc/23/78/66/172237866.db2.gz QHFZSODFRWLHHS-LLVKDONJSA-N 2 2 270.163 3.220 10 0 CGAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1c(F)cccc1Cl ZINC000035570517 172265847 /nfs/dbraw/zinc/26/58/47/172265847.db2.gz VPPDTCGYAPCSCN-LLVKDONJSA-N 2 2 267.735 3.096 10 0 CGAELP CCCCc1ccc([C@@H]([C@@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000071587060 176214595 /nfs/dbraw/zinc/21/45/95/176214595.db2.gz JEJACVKSCLGVRO-IRXDYDNUSA-N 2 2 260.425 3.384 10 0 CGAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@H](C)c1ccccc1 ZINC000037166556 270028836 /nfs/dbraw/zinc/02/88/36/270028836.db2.gz AHSUILRVCUWZPS-RDJZCZTQSA-N 2 2 262.441 3.356 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000186602866 270066693 /nfs/dbraw/zinc/06/66/93/270066693.db2.gz DVXQVJWLCDPNRZ-RUXDESIVSA-N 2 2 292.389 3.429 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000186602866 270066694 /nfs/dbraw/zinc/06/66/94/270066694.db2.gz DVXQVJWLCDPNRZ-RUXDESIVSA-N 2 2 292.389 3.429 10 0 CGAELP CCc1cccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000189510033 270072049 /nfs/dbraw/zinc/07/20/49/270072049.db2.gz RMSDKKKDXWRSLE-SFHVURJKSA-N 2 2 283.419 3.419 10 0 CGAELP CCc1cccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000189510033 270072050 /nfs/dbraw/zinc/07/20/50/270072050.db2.gz RMSDKKKDXWRSLE-SFHVURJKSA-N 2 2 283.419 3.419 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)CCc2cccc(C)c2)C1 ZINC000250326587 270091267 /nfs/dbraw/zinc/09/12/67/270091267.db2.gz NXGUOQJXUXFKJH-AEFFLSMTSA-N 2 2 274.452 3.390 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)CCc2cccc(C)c2)C1 ZINC000250326587 270091268 /nfs/dbraw/zinc/09/12/68/270091268.db2.gz NXGUOQJXUXFKJH-AEFFLSMTSA-N 2 2 274.452 3.390 10 0 CGAELP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000321534418 270093454 /nfs/dbraw/zinc/09/34/54/270093454.db2.gz PRDVSXZRORAQHF-KLZNWCGWSA-N 2 2 260.425 3.141 10 0 CGAELP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000321534418 270093455 /nfs/dbraw/zinc/09/34/55/270093455.db2.gz PRDVSXZRORAQHF-KLZNWCGWSA-N 2 2 260.425 3.141 10 0 CGAELP CCC[NH2+]C[C@@H](C(C)C)[N@H+](C)Cc1ccc(C)cc1 ZINC000052424508 519919891 /nfs/dbraw/zinc/91/98/91/519919891.db2.gz MZMMMEPXWOCJLI-KRWDZBQOSA-N 2 2 262.441 3.451 10 0 CGAELP CCC[NH2+]C[C@@H](C(C)C)[N@@H+](C)Cc1ccc(C)cc1 ZINC000052424508 519919895 /nfs/dbraw/zinc/91/98/95/519919895.db2.gz MZMMMEPXWOCJLI-KRWDZBQOSA-N 2 2 262.441 3.451 10 0 CGAELP CCC[N@H+](CC1CC1)[C@H](C[NH2+]CC(C)C)C(C)C ZINC000052514327 521626778 /nfs/dbraw/zinc/62/67/78/521626778.db2.gz AVWYCVFXWPTTLL-MRXNPFEDSA-N 2 2 254.462 3.379 10 0 CGAELP CCC[N@@H+](CC1CC1)[C@H](C[NH2+]CC(C)C)C(C)C ZINC000052514327 521626780 /nfs/dbraw/zinc/62/67/80/521626780.db2.gz AVWYCVFXWPTTLL-MRXNPFEDSA-N 2 2 254.462 3.379 10 0 CGAELP CC[C@@H](C[NH2+]C1CC1)n1c[nH+]c2cc(C)c(C)cc21 ZINC000052575755 522545762 /nfs/dbraw/zinc/54/57/62/522545762.db2.gz XDCKVAQSFMIBGG-AWEZNQCLSA-N 2 2 257.381 3.356 10 0 CGAELP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000156654457 522716784 /nfs/dbraw/zinc/71/67/84/522716784.db2.gz RXWCCWRGHXWECA-RYQLBKOJSA-N 2 2 289.467 3.316 10 0 CGAELP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000156654457 522716790 /nfs/dbraw/zinc/71/67/90/522716790.db2.gz RXWCCWRGHXWECA-RYQLBKOJSA-N 2 2 289.467 3.316 10 0 CGAELP CC[C@@H]1CCC[N@@H+]1[C@@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050546153 523271416 /nfs/dbraw/zinc/27/14/16/523271416.db2.gz BEWHXILTWGMQPM-HIFRSBDPSA-N 2 2 250.361 3.008 10 0 CGAELP CC[C@@H]1CCC[N@H+]1[C@@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050546153 523271425 /nfs/dbraw/zinc/27/14/25/523271425.db2.gz BEWHXILTWGMQPM-HIFRSBDPSA-N 2 2 250.361 3.008 10 0 CGAELP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccc(-c2ccncc2)c1 ZINC000155759373 525470541 /nfs/dbraw/zinc/47/05/41/525470541.db2.gz STHPRGMLHHQGJG-OAHLLOKOSA-N 2 2 292.386 3.296 10 0 CGAELP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000313248534 535252851 /nfs/dbraw/zinc/25/28/51/535252851.db2.gz BRQVCSPNJALQID-KBMXLJTQSA-N 2 2 263.429 3.013 10 0 CGAELP Cc1ccccc1[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000096947874 185137415 /nfs/dbraw/zinc/13/74/15/185137415.db2.gz NJRGDJDBKVOLRG-ROUUACIJSA-N 2 2 266.388 3.269 10 0 CGAELP Cc1ccccc1[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1 ZINC000096947874 185137417 /nfs/dbraw/zinc/13/74/17/185137417.db2.gz NJRGDJDBKVOLRG-ROUUACIJSA-N 2 2 266.388 3.269 10 0 CGAELP c1cn(C[C@H]2CCC[N@@H+]2Cc2cc3ccccc3o2)c[nH+]1 ZINC000188418421 542247571 /nfs/dbraw/zinc/24/75/71/542247571.db2.gz SOQWAUOKTZESJT-OAHLLOKOSA-N 2 2 281.359 3.294 10 0 CGAELP c1cn(C[C@H]2CCC[N@H+]2Cc2cc3ccccc3o2)c[nH+]1 ZINC000188418421 542247577 /nfs/dbraw/zinc/24/75/77/542247577.db2.gz SOQWAUOKTZESJT-OAHLLOKOSA-N 2 2 281.359 3.294 10 0 CGAELP COc1ccc(C[C@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000037167301 344948176 /nfs/dbraw/zinc/94/81/76/344948176.db2.gz NGKZABHXXJNEPD-RDJZCZTQSA-N 2 2 292.467 3.192 10 0 CGAELP c1[nH]cc([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)[nH+]1 ZINC000616630130 348852403 /nfs/dbraw/zinc/85/24/03/348852403.db2.gz PNRDFHINPVBRDM-HNNXBMFYSA-N 2 2 255.365 3.179 10 0 CGAELP c1[nH]cc([C@H]2CCC[N@H+](Cc3ccccc3)CC2)[nH+]1 ZINC000616630130 348852406 /nfs/dbraw/zinc/85/24/06/348852406.db2.gz PNRDFHINPVBRDM-HNNXBMFYSA-N 2 2 255.365 3.179 10 0 CGAELP Cc1cccc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)[nH+]1 ZINC000301720957 201159452 /nfs/dbraw/zinc/15/94/52/201159452.db2.gz MOTATGSTYMIDNM-RHSMWYFYSA-N 2 2 281.403 3.322 10 0 CGAELP Cc1cccc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)[nH+]1 ZINC000301720957 201159456 /nfs/dbraw/zinc/15/94/56/201159456.db2.gz MOTATGSTYMIDNM-RHSMWYFYSA-N 2 2 281.403 3.322 10 0 CGAELP CC/C=C/CC[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000184530033 189388602 /nfs/dbraw/zinc/38/86/02/189388602.db2.gz IKBOLQUPGMZVCW-NFAHFFEMSA-N 2 2 261.413 3.439 10 0 CGAELP CC/C=C/CC[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000184530033 189388603 /nfs/dbraw/zinc/38/86/03/189388603.db2.gz IKBOLQUPGMZVCW-NFAHFFEMSA-N 2 2 261.413 3.439 10 0 CGAELP C[NH2+][C@@H]1CC[N@@H+](C2c3ccccc3CCc3ccccc32)C1 ZINC000033858163 368969653 /nfs/dbraw/zinc/96/96/53/368969653.db2.gz VQMOEFZWXQNKTP-QGZVFWFLSA-N 2 2 292.426 3.168 10 0 CGAELP C[NH2+][C@@H]1CC[N@H+](C2c3ccccc3CCc3ccccc32)C1 ZINC000033858163 368969656 /nfs/dbraw/zinc/96/96/56/368969656.db2.gz VQMOEFZWXQNKTP-QGZVFWFLSA-N 2 2 292.426 3.168 10 0 CGAELP [NH3+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000101525337 370290070 /nfs/dbraw/zinc/29/00/70/370290070.db2.gz ORFXGILBKAILLP-SJORKVTESA-N 2 2 286.806 3.267 10 0 CGAELP [NH3+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000101525337 370290074 /nfs/dbraw/zinc/29/00/74/370290074.db2.gz ORFXGILBKAILLP-SJORKVTESA-N 2 2 286.806 3.267 10 0 CGAELP Cc1ccc([C@H]2CCCC[N@@H+]2CCn2cc[nH+]c2)o1 ZINC000131459582 371109101 /nfs/dbraw/zinc/10/91/01/371109101.db2.gz SWQHIQHFIWJPJC-CQSZACIVSA-N 2 2 259.353 3.012 10 0 CGAELP Fc1ccccc1CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000137584256 371499091 /nfs/dbraw/zinc/49/90/91/371499091.db2.gz AEIRIVKGUSWWRP-HNNXBMFYSA-N 2 2 299.393 3.197 10 0 CGAELP Cc1cccc([C@H](C)[NH2+][C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000151839798 371642330 /nfs/dbraw/zinc/64/23/30/371642330.db2.gz NVNSLHFTYUWQPR-YQQAZPJKSA-N 2 2 260.425 3.374 10 0 CGAELP Cc1cccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000151839798 371642338 /nfs/dbraw/zinc/64/23/38/371642338.db2.gz NVNSLHFTYUWQPR-YQQAZPJKSA-N 2 2 260.425 3.374 10 0 CGAELP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189915735 375458975 /nfs/dbraw/zinc/45/89/75/375458975.db2.gz AFJHEPOEUBLEAM-WBVHZDCISA-N 3 2 298.434 3.007 10 0 CGAELP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189915735 375458981 /nfs/dbraw/zinc/45/89/81/375458981.db2.gz AFJHEPOEUBLEAM-WBVHZDCISA-N 3 2 298.434 3.007 10 0 CGAELP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCCc2ccccc21 ZINC000222702098 376240635 /nfs/dbraw/zinc/24/06/35/376240635.db2.gz JNVILYYJRGDACU-NVXWUHKLSA-N 2 2 258.409 3.138 10 0 CGAELP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCCc2ccccc21 ZINC000222702098 376240639 /nfs/dbraw/zinc/24/06/39/376240639.db2.gz JNVILYYJRGDACU-NVXWUHKLSA-N 2 2 258.409 3.138 10 0 CGAELP Clc1ccc2[nH+]ccc(N3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000246844014 377102297 /nfs/dbraw/zinc/10/22/97/377102297.db2.gz ZAJTWHXAQLFFBM-ZDUSSCGKSA-N 2 2 287.794 3.173 10 0 CGAELP Clc1ccc2[nH+]ccc(N3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000246844014 377102305 /nfs/dbraw/zinc/10/23/05/377102305.db2.gz ZAJTWHXAQLFFBM-ZDUSSCGKSA-N 2 2 287.794 3.173 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000164679138 542172013 /nfs/dbraw/zinc/17/20/13/542172013.db2.gz KUFKGWGCWNIBOJ-JKSUJKDBSA-N 2 2 290.451 3.119 10 0 CGAELP CC(C)[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000250757178 377566349 /nfs/dbraw/zinc/56/63/49/377566349.db2.gz PJQYDTHPOAWOEL-HIFRSBDPSA-N 2 2 266.816 3.331 10 0 CGAELP CC(C)[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000250757178 377566356 /nfs/dbraw/zinc/56/63/56/377566356.db2.gz PJQYDTHPOAWOEL-HIFRSBDPSA-N 2 2 266.816 3.331 10 0 CGAELP Clc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)s1 ZINC000177100981 542189342 /nfs/dbraw/zinc/18/93/42/542189342.db2.gz BJQFURYUXSSBQT-NSHDSACASA-N 2 2 281.812 3.263 10 0 CGAELP Clc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)s1 ZINC000177100981 542189346 /nfs/dbraw/zinc/18/93/46/542189346.db2.gz BJQFURYUXSSBQT-NSHDSACASA-N 2 2 281.812 3.263 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000192717117 542269150 /nfs/dbraw/zinc/26/91/50/542269150.db2.gz MHWQGPODWNCENU-RHSMWYFYSA-N 2 2 273.424 3.007 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000192717117 542269152 /nfs/dbraw/zinc/26/91/52/542269152.db2.gz MHWQGPODWNCENU-RHSMWYFYSA-N 2 2 273.424 3.007 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000389423742 379897521 /nfs/dbraw/zinc/89/75/21/379897521.db2.gz WDIVZKANKZWJNG-ZDUSSCGKSA-N 2 2 289.810 3.072 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000389423742 379897526 /nfs/dbraw/zinc/89/75/26/379897526.db2.gz WDIVZKANKZWJNG-ZDUSSCGKSA-N 2 2 289.810 3.072 10 0 CGAELP C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)[C@H]1CCC[NH2+]C1 ZINC000643452458 380308405 /nfs/dbraw/zinc/30/84/05/380308405.db2.gz SWKGDSYJIUGXQE-WOPDTQHZSA-N 2 2 268.351 3.004 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000106215620 392299308 /nfs/dbraw/zinc/29/93/08/392299308.db2.gz HKYCOIZJDOPDBB-KRWDZBQOSA-N 2 2 283.419 3.325 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000106215620 392299312 /nfs/dbraw/zinc/29/93/12/392299312.db2.gz HKYCOIZJDOPDBB-KRWDZBQOSA-N 2 2 283.419 3.325 10 0 CGAELP Fc1ccc(/C=C\C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000588549178 542769946 /nfs/dbraw/zinc/76/99/46/542769946.db2.gz IJKSZYMZZFRMDW-MPXGXIRNSA-N 2 2 285.366 3.200 10 0 CGAELP Fc1ccc(/C=C\C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000588549178 542769950 /nfs/dbraw/zinc/76/99/50/542769950.db2.gz IJKSZYMZZFRMDW-MPXGXIRNSA-N 2 2 285.366 3.200 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C/C=C/c1ccccc1 ZINC000051790311 286934667 /nfs/dbraw/zinc/93/46/67/286934667.db2.gz WQRJFHDOHKWYDU-VGMNTSGFSA-N 2 2 260.425 3.266 10 0 CGAELP C[N@H+](CC1CCCCC1)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000020225684 171087957 /nfs/dbraw/zinc/08/79/57/171087957.db2.gz PGVOVQCOYPHGQB-INIZCTEOSA-N 2 2 264.388 3.338 10 0 CGAELP C[N@@H+](CC1CCCCC1)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000020225684 171087959 /nfs/dbraw/zinc/08/79/59/171087959.db2.gz PGVOVQCOYPHGQB-INIZCTEOSA-N 2 2 264.388 3.338 10 0 CGAELP CC(C)C[N@H+](C)[C@@H](C[NH3+])c1cccc(OC(C)C)c1 ZINC000020226648 171090856 /nfs/dbraw/zinc/09/08/56/171090856.db2.gz ATTDQMFZLZSYBA-INIZCTEOSA-N 2 2 264.413 3.061 10 0 CGAELP CC(C)C[N@@H+](C)[C@@H](C[NH3+])c1cccc(OC(C)C)c1 ZINC000020226648 171090858 /nfs/dbraw/zinc/09/08/58/171090858.db2.gz ATTDQMFZLZSYBA-INIZCTEOSA-N 2 2 264.413 3.061 10 0 CGAELP CC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@@H]([NH+]2CCCCCC2)C1 ZINC000021815020 171331738 /nfs/dbraw/zinc/33/17/38/171331738.db2.gz ZBKMOSMBJBLXMO-KFWWJZLASA-N 2 2 252.446 3.405 10 0 CGAELP CC1CC[NH+]([C@H](C[NH3+])c2ccc(OC(F)F)cc2)CC1 ZINC000022170284 171367807 /nfs/dbraw/zinc/36/78/07/171367807.db2.gz KBFAZFSPZVNNMV-CQSZACIVSA-N 2 2 284.350 3.020 10 0 CGAELP Cc1ccc(C[N@@H+](C)[C@@](C)(C[NH3+])CCC(C)C)o1 ZINC000035699554 172368322 /nfs/dbraw/zinc/36/83/22/172368322.db2.gz LITVKAXEEDCARU-OAHLLOKOSA-N 2 2 252.402 3.173 10 0 CGAELP Cc1ccc(C[N@H+](C)[C@@](C)(C[NH3+])CCC(C)C)o1 ZINC000035699554 172368324 /nfs/dbraw/zinc/36/83/24/172368324.db2.gz LITVKAXEEDCARU-OAHLLOKOSA-N 2 2 252.402 3.173 10 0 CGAELP COc1c(C)c[nH+]c(CC[C@H]([NH3+])C(C)(C)C)c1C ZINC000036683883 172654840 /nfs/dbraw/zinc/65/48/40/172654840.db2.gz MOWMOWSACLEAEW-ZDUSSCGKSA-N 2 2 250.386 3.013 10 0 CGAELP Cc1ccc([C@@H]([NH3+])C[N@@H+](C)Cc2ccccc2)cc1 ZINC000038137745 174133436 /nfs/dbraw/zinc/13/34/36/174133436.db2.gz TVBICFGSJSWLBL-KRWDZBQOSA-N 2 2 254.377 3.127 10 0 CGAELP Cc1ccc([C@@H]([NH3+])C[N@H+](C)Cc2ccccc2)cc1 ZINC000038137745 174133438 /nfs/dbraw/zinc/13/34/38/174133438.db2.gz TVBICFGSJSWLBL-KRWDZBQOSA-N 2 2 254.377 3.127 10 0 CGAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1ccc(OCC)cc1 ZINC000038827619 174157527 /nfs/dbraw/zinc/15/75/27/174157527.db2.gz RVZRKTMVGCVOCW-INIZCTEOSA-N 2 2 264.413 3.207 10 0 CGAELP CCC[N@H+](CC1CC1)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000044298737 175161427 /nfs/dbraw/zinc/16/14/27/175161427.db2.gz FWHYHEVWQKNTMJ-OAHLLOKOSA-N 2 2 266.816 3.462 10 0 CGAELP CCC[N@@H+](CC1CC1)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000044298737 175161429 /nfs/dbraw/zinc/16/14/29/175161429.db2.gz FWHYHEVWQKNTMJ-OAHLLOKOSA-N 2 2 266.816 3.462 10 0 CGAELP Cc1[nH+]cc(C[NH2+][C@H](C)c2ccc(Cl)s2)n1C ZINC000657300037 419245646 /nfs/dbraw/zinc/24/56/46/419245646.db2.gz GLQGVYKCSWRUEO-MRVPVSSYSA-N 2 2 269.801 3.294 10 0 CGAELP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccc(C)cc2C)n1C ZINC000657317346 419249043 /nfs/dbraw/zinc/24/90/43/419249043.db2.gz DATYGJSPIACZOW-ZDUSSCGKSA-N 2 2 257.381 3.196 10 0 CGAELP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(F)c(Cl)c1 ZINC000657328110 419251757 /nfs/dbraw/zinc/25/17/57/419251757.db2.gz SEGFZFUNMBYYSW-JTQLQIEISA-N 2 2 293.773 3.473 10 0 CGAELP Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1C ZINC000222705167 270086302 /nfs/dbraw/zinc/08/63/02/270086302.db2.gz ACQBPWMTZDRQNT-JKSUJKDBSA-N 2 2 260.425 3.357 10 0 CGAELP Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1C ZINC000222705167 270086303 /nfs/dbraw/zinc/08/63/03/270086303.db2.gz ACQBPWMTZDRQNT-JKSUJKDBSA-N 2 2 260.425 3.357 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccc(C)cc2C)C1 ZINC000250339495 270091316 /nfs/dbraw/zinc/09/13/16/270091316.db2.gz PORNJWLTZRVDKW-HZPDHXFCSA-N 2 2 260.425 3.438 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccc(C)cc2C)C1 ZINC000250339495 270091317 /nfs/dbraw/zinc/09/13/17/270091317.db2.gz PORNJWLTZRVDKW-HZPDHXFCSA-N 2 2 260.425 3.438 10 0 CGAELP COc1ccc2c(c1)[C@H]([NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C)CC2 ZINC000181281858 274139095 /nfs/dbraw/zinc/13/90/95/274139095.db2.gz AQZGHQRPNRFNLH-XWIAVFTESA-N 2 2 288.435 3.001 10 0 CGAELP COc1ccc2c(c1)[C@H]([NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C)CC2 ZINC000181281858 274139096 /nfs/dbraw/zinc/13/90/96/274139096.db2.gz AQZGHQRPNRFNLH-XWIAVFTESA-N 2 2 288.435 3.001 10 0 CGAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1ccccc1OC(F)F ZINC000396581093 288014307 /nfs/dbraw/zinc/01/43/07/288014307.db2.gz PGUIDROWRALLTP-GVXVVHGQSA-N 2 2 284.350 3.079 10 0 CGAELP CC(C)n1cc[nH+]c1Cn1c[nH+]c2c1C[C@H](C)[C@H](C)C2 ZINC000296140756 278136822 /nfs/dbraw/zinc/13/68/22/278136822.db2.gz ZRPLKIACAHAQHX-OLZOCXBDSA-N 2 2 272.396 3.080 10 0 CGAELP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1cccc(Br)c1 ZINC000358394075 290058592 /nfs/dbraw/zinc/05/85/92/290058592.db2.gz FSBUNLUZTAYBKL-MJVIPROJSA-N 2 2 297.240 3.050 10 0 CGAELP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1cccc(Br)c1 ZINC000358394075 290058594 /nfs/dbraw/zinc/05/85/94/290058594.db2.gz FSBUNLUZTAYBKL-MJVIPROJSA-N 2 2 297.240 3.050 10 0 CGAELP CCCCC[N@H+](C)[C@@H](C[NH3+])c1ccc(F)cc1C ZINC000050578475 520154270 /nfs/dbraw/zinc/15/42/70/520154270.db2.gz WOKOJCGQFLJJJA-HNNXBMFYSA-N 2 2 252.377 3.256 10 0 CGAELP CCCCC[N@@H+](C)[C@@H](C[NH3+])c1ccc(F)cc1C ZINC000050578475 520154279 /nfs/dbraw/zinc/15/42/79/520154279.db2.gz WOKOJCGQFLJJJA-HNNXBMFYSA-N 2 2 252.377 3.256 10 0 CGAELP CC(C)C[NH2+]C[C@@H](c1ccccc1)[N@H+](C)CC1CC1 ZINC000052483727 519744799 /nfs/dbraw/zinc/74/47/99/519744799.db2.gz JQHGJSQMPVQLEO-KRWDZBQOSA-N 2 2 260.425 3.315 10 0 CGAELP CC(C)C[NH2+]C[C@@H](c1ccccc1)[N@@H+](C)CC1CC1 ZINC000052483727 519744801 /nfs/dbraw/zinc/74/48/01/519744801.db2.gz JQHGJSQMPVQLEO-KRWDZBQOSA-N 2 2 260.425 3.315 10 0 CGAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]Cc1ccc(Br)cc1 ZINC000049195035 519793714 /nfs/dbraw/zinc/79/37/14/519793714.db2.gz JLRJBZMRPBEOLT-CQSZACIVSA-N 2 2 299.256 3.125 10 0 CGAELP CC[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000049509006 519908834 /nfs/dbraw/zinc/90/88/34/519908834.db2.gz QTMIBAPZRRNDEF-LBPRGKRZSA-N 2 2 266.816 3.475 10 0 CGAELP CC1(C)CC[NH+]([C@H](C[NH3+])c2ccccc2Cl)CC1 ZINC000061818464 520383998 /nfs/dbraw/zinc/38/39/98/520383998.db2.gz NBLIXBPPLROVBP-CQSZACIVSA-N 2 2 266.816 3.462 10 0 CGAELP c1cn(-c2ccc(C[N@@H+]3CCO[C@H]4CCCC[C@@H]43)cc2)c[nH+]1 ZINC000101545518 526523803 /nfs/dbraw/zinc/52/38/03/526523803.db2.gz ZAILOEDDNDXNST-ROUUACIJSA-N 2 2 297.402 3.016 10 0 CGAELP c1cn(-c2ccc(C[N@H+]3CCO[C@H]4CCCC[C@@H]43)cc2)c[nH+]1 ZINC000101545518 526523804 /nfs/dbraw/zinc/52/38/04/526523804.db2.gz ZAILOEDDNDXNST-ROUUACIJSA-N 2 2 297.402 3.016 10 0 CGAELP c1ccc(C[N@@H+]2CCC[C@]3(C2)CCCCC[NH2+]3)cc1 ZINC000096884938 185120191 /nfs/dbraw/zinc/12/01/91/185120191.db2.gz OFPUEADITUVQRM-KRWDZBQOSA-N 2 2 258.409 3.185 10 0 CGAELP c1ccc(C[N@H+]2CCC[C@]3(C2)CCCCC[NH2+]3)cc1 ZINC000096884938 185120192 /nfs/dbraw/zinc/12/01/92/185120192.db2.gz OFPUEADITUVQRM-KRWDZBQOSA-N 2 2 258.409 3.185 10 0 CGAELP c1[nH]cc(CC[C@H]2CCC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000141724183 346109501 /nfs/dbraw/zinc/10/95/01/346109501.db2.gz DMJWYEBXFILBND-MRXNPFEDSA-N 2 2 269.392 3.255 10 0 CGAELP c1[nH]cc(CC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000141724183 346109505 /nfs/dbraw/zinc/10/95/05/346109505.db2.gz DMJWYEBXFILBND-MRXNPFEDSA-N 2 2 269.392 3.255 10 0 CGAELP c1[nH]c(CC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000141724183 346109508 /nfs/dbraw/zinc/10/95/08/346109508.db2.gz DMJWYEBXFILBND-MRXNPFEDSA-N 2 2 269.392 3.255 10 0 CGAELP c1[nH]c(CC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000141724183 346109511 /nfs/dbraw/zinc/10/95/11/346109511.db2.gz DMJWYEBXFILBND-MRXNPFEDSA-N 2 2 269.392 3.255 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000229633520 346318559 /nfs/dbraw/zinc/31/85/59/346318559.db2.gz GJZXPJYIGQHPKL-MRXNPFEDSA-N 2 2 273.424 3.234 10 0 CGAELP [NH3+]CC[N@@H+]1CCCCC[C@@H]1c1cc2ccccc2cn1 ZINC000616623012 348849063 /nfs/dbraw/zinc/84/90/63/348849063.db2.gz BFOOISFFTXXFRH-QGZVFWFLSA-N 2 2 269.392 3.111 10 0 CGAELP [NH3+]CC[N@H+]1CCCCC[C@@H]1c1cc2ccccc2cn1 ZINC000616623012 348849066 /nfs/dbraw/zinc/84/90/66/348849066.db2.gz BFOOISFFTXXFRH-QGZVFWFLSA-N 2 2 269.392 3.111 10 0 CGAELP CC[C@@](C)(C[NH2+]C(C)C)C[N@H+](C)Cc1scnc1C ZINC000104449440 186005591 /nfs/dbraw/zinc/00/55/91/186005591.db2.gz LTMSWYQCLZNRML-HNNXBMFYSA-N 2 2 283.485 3.298 10 0 CGAELP CC[C@@](C)(C[NH2+]C(C)C)C[N@@H+](C)Cc1scnc1C ZINC000104449440 186005592 /nfs/dbraw/zinc/00/55/92/186005592.db2.gz LTMSWYQCLZNRML-HNNXBMFYSA-N 2 2 283.485 3.298 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccccc1C ZINC000178293257 189103932 /nfs/dbraw/zinc/10/39/32/189103932.db2.gz DBQWCXPGICLDJM-QGZVFWFLSA-N 2 2 269.392 3.165 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccccc1C ZINC000178293257 189103933 /nfs/dbraw/zinc/10/39/33/189103933.db2.gz DBQWCXPGICLDJM-QGZVFWFLSA-N 2 2 269.392 3.165 10 0 CGAELP C[NH2+][C@H]1CC[N@@H+](C2c3ccccc3CCc3ccccc32)C1 ZINC000033858165 368969460 /nfs/dbraw/zinc/96/94/60/368969460.db2.gz VQMOEFZWXQNKTP-KRWDZBQOSA-N 2 2 292.426 3.168 10 0 CGAELP C[NH2+][C@H]1CC[N@H+](C2c3ccccc3CCc3ccccc32)C1 ZINC000033858165 368969466 /nfs/dbraw/zinc/96/94/66/368969466.db2.gz VQMOEFZWXQNKTP-KRWDZBQOSA-N 2 2 292.426 3.168 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)c2cc(C)sc2C)C1 ZINC000040502551 369158281 /nfs/dbraw/zinc/15/82/81/369158281.db2.gz DRLNVAMKLOYCEF-JSGCOSHPSA-N 2 2 266.454 3.500 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)c2cc(C)sc2C)C1 ZINC000040502551 369158282 /nfs/dbraw/zinc/15/82/82/369158282.db2.gz DRLNVAMKLOYCEF-JSGCOSHPSA-N 2 2 266.454 3.500 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000133059756 371223591 /nfs/dbraw/zinc/22/35/91/371223591.db2.gz VAIJDDKHGKVNJL-DOTOQJQBSA-N 2 2 290.476 3.091 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000133059756 371223595 /nfs/dbraw/zinc/22/35/95/371223595.db2.gz VAIJDDKHGKVNJL-DOTOQJQBSA-N 2 2 290.476 3.091 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1C ZINC000180125999 373967467 /nfs/dbraw/zinc/96/74/67/373967467.db2.gz DJAOGMLSTHNKPG-SFHVURJKSA-N 2 2 283.419 3.473 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccc(C)c1C ZINC000180125999 373967475 /nfs/dbraw/zinc/96/74/75/373967475.db2.gz DJAOGMLSTHNKPG-SFHVURJKSA-N 2 2 283.419 3.473 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2cccc(OC(F)F)c2)C1 ZINC000328393355 374366202 /nfs/dbraw/zinc/36/62/02/374366202.db2.gz YNJLTFFVSRVUCC-DGCLKSJQSA-N 2 2 284.350 3.033 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2cccc(OC(F)F)c2)C1 ZINC000328393355 374366205 /nfs/dbraw/zinc/36/62/05/374366205.db2.gz YNJLTFFVSRVUCC-DGCLKSJQSA-N 2 2 284.350 3.033 10 0 CGAELP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261572356 296224804 /nfs/dbraw/zinc/22/48/04/296224804.db2.gz TXHWYTVYOSQLKY-HZMBPMFUSA-N 2 2 268.351 3.085 10 0 CGAELP C[C@@H](c1cc(F)ccc1F)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261572356 296224805 /nfs/dbraw/zinc/22/48/05/296224805.db2.gz TXHWYTVYOSQLKY-HZMBPMFUSA-N 2 2 268.351 3.085 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CCC12CCCC2 ZINC000474061377 375075688 /nfs/dbraw/zinc/07/56/88/375075688.db2.gz AKYCTYFRYLXQHH-CABCVRRESA-N 2 2 252.446 3.275 10 0 CGAELP Cc1ccccc1[C@H]1C[N@H+](CCCn2cc[nH+]c2)[C@@H](C)CO1 ZINC000245859116 376921179 /nfs/dbraw/zinc/92/11/79/376921179.db2.gz OHEAMDGRQHOXLW-FUHWJXTLSA-N 2 2 299.418 3.044 10 0 CGAELP Cc1ccccc1[C@H]1C[N@@H+](CCCn2cc[nH+]c2)[C@@H](C)CO1 ZINC000245859116 376921186 /nfs/dbraw/zinc/92/11/86/376921186.db2.gz OHEAMDGRQHOXLW-FUHWJXTLSA-N 2 2 299.418 3.044 10 0 CGAELP CCC[C@H](C)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000245867510 376923107 /nfs/dbraw/zinc/92/31/07/376923107.db2.gz QNUAYAXNEWNISL-GJZGRUSLSA-N 2 2 261.413 3.252 10 0 CGAELP CCC[C@H](C)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000245867510 376923117 /nfs/dbraw/zinc/92/31/17/376923117.db2.gz QNUAYAXNEWNISL-GJZGRUSLSA-N 2 2 261.413 3.252 10 0 CGAELP CC(C)c1cc(N2CC[N@@H+]3CCC[C@H]3C2)nc(C(C)C)[nH+]1 ZINC000245927382 376936350 /nfs/dbraw/zinc/93/63/50/376936350.db2.gz UHXAQZSYSBHFIV-AWEZNQCLSA-N 2 2 288.439 3.008 10 0 CGAELP CC(C)c1cc(N2CC[N@H+]3CCC[C@H]3C2)nc(C(C)C)[nH+]1 ZINC000245927382 376936353 /nfs/dbraw/zinc/93/63/53/376936353.db2.gz UHXAQZSYSBHFIV-AWEZNQCLSA-N 2 2 288.439 3.008 10 0 CGAELP CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000246819068 377096787 /nfs/dbraw/zinc/09/67/87/377096787.db2.gz RHRPKNKQEMCXDS-QAPCUYQASA-N 2 2 299.418 3.365 10 0 CGAELP CCOc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000246819068 377096798 /nfs/dbraw/zinc/09/67/98/377096798.db2.gz RHRPKNKQEMCXDS-QAPCUYQASA-N 2 2 299.418 3.365 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000389277380 379896929 /nfs/dbraw/zinc/89/69/29/379896929.db2.gz STJIUEPUNZTGCF-CMPLNLGQSA-N 2 2 270.779 3.224 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000389277380 379896931 /nfs/dbraw/zinc/89/69/31/379896931.db2.gz STJIUEPUNZTGCF-CMPLNLGQSA-N 2 2 270.779 3.224 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+]C2CC(c3cccc(Cl)c3)C2)C1 ZINC000389591886 379901153 /nfs/dbraw/zinc/90/11/53/379901153.db2.gz ZYYKAWYFQGODAJ-OGVSOVDVSA-N 2 2 278.827 3.270 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+]C2CC(c3cccc(Cl)c3)C2)C1 ZINC000389591886 379901158 /nfs/dbraw/zinc/90/11/58/379901158.db2.gz ZYYKAWYFQGODAJ-OGVSOVDVSA-N 2 2 278.827 3.270 10 0 CGAELP CCCC[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195252074 392964719 /nfs/dbraw/zinc/96/47/19/392964719.db2.gz QECPXZBZMMMROQ-CQSZACIVSA-N 2 2 281.469 3.005 10 0 CGAELP CCCC[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195252074 392964723 /nfs/dbraw/zinc/96/47/23/392964723.db2.gz QECPXZBZMMMROQ-CQSZACIVSA-N 2 2 281.469 3.005 10 0 CGAELP CCCC[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195252074 392964727 /nfs/dbraw/zinc/96/47/27/392964727.db2.gz QECPXZBZMMMROQ-CQSZACIVSA-N 2 2 281.469 3.005 10 0 CGAELP CCCC[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195252074 392964733 /nfs/dbraw/zinc/96/47/33/392964733.db2.gz QECPXZBZMMMROQ-CQSZACIVSA-N 2 2 281.469 3.005 10 0 CGAELP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccc2ccccc2c1 ZINC000675725844 543357651 /nfs/dbraw/zinc/35/76/51/543357651.db2.gz LNMBKSKARDVNRH-GLJUWKHASA-N 2 2 268.404 3.441 10 0 CGAELP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccc2ccccc2c1 ZINC000675725844 543357654 /nfs/dbraw/zinc/35/76/54/543357654.db2.gz LNMBKSKARDVNRH-GLJUWKHASA-N 2 2 268.404 3.441 10 0 CGAELP CC(C)[C@H](C)C[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000081046583 287070142 /nfs/dbraw/zinc/07/01/42/287070142.db2.gz YWXULKYAYQCTRA-SJLPKXTDSA-N 2 2 274.452 3.185 10 0 CGAELP CC(C)[C@H](C)C[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000081046583 287070145 /nfs/dbraw/zinc/07/01/45/287070145.db2.gz YWXULKYAYQCTRA-SJLPKXTDSA-N 2 2 274.452 3.185 10 0 CGAELP c1c(CNc2cccc3cc[nH+]cc32)[nH+]c2ccccn12 ZINC000094966734 287123472 /nfs/dbraw/zinc/12/34/72/287123472.db2.gz BPQQCJZEXCNORA-UHFFFAOYSA-N 2 2 274.327 3.495 10 0 CGAELP COc1cccc(C[N@H+](C)[C@@H](C[NH3+])c2ccc(C)cc2)c1 ZINC000020225560 171088572 /nfs/dbraw/zinc/08/85/72/171088572.db2.gz HELWYQDCNFVERL-SFHVURJKSA-N 2 2 284.403 3.135 10 0 CGAELP COc1cccc(C[N@@H+](C)[C@@H](C[NH3+])c2ccc(C)cc2)c1 ZINC000020225560 171088575 /nfs/dbraw/zinc/08/85/75/171088575.db2.gz HELWYQDCNFVERL-SFHVURJKSA-N 2 2 284.403 3.135 10 0 CGAELP C[C@H]1CC(C)(C)C[C@@](C[NH3+])([NH+]2CCCCCC2)C1 ZINC000021517735 171314111 /nfs/dbraw/zinc/31/41/11/171314111.db2.gz IAHWNDIHHORADU-HOCLYGCPSA-N 2 2 252.446 3.406 10 0 CGAELP Cc1ccsc1[C@H](C[NH3+])[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000022170340 171367599 /nfs/dbraw/zinc/36/75/99/171367599.db2.gz HIDAEQAKGHEAGL-GVXVVHGQSA-N 2 2 252.427 3.034 10 0 CGAELP [NH3+]C[C@H](c1ccc2ccccc2c1)[NH+]1CCCCC1 ZINC000022218799 171376948 /nfs/dbraw/zinc/37/69/48/171376948.db2.gz UEHDFGODAVPFEN-QGZVFWFLSA-N 2 2 254.377 3.326 10 0 CGAELP Cc1ccsc1[C@@H](C[NH3+])[N@@H+](C)C1CCCCC1 ZINC000022221903 171378209 /nfs/dbraw/zinc/37/82/09/171378209.db2.gz GZEIKSRPTHTDRX-CYBMUJFWSA-N 2 2 252.427 3.321 10 0 CGAELP Cc1ccsc1[C@@H](C[NH3+])[N@H+](C)C1CCCCC1 ZINC000022221903 171378211 /nfs/dbraw/zinc/37/82/11/171378211.db2.gz GZEIKSRPTHTDRX-CYBMUJFWSA-N 2 2 252.427 3.321 10 0 CGAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)C[C@H](C)CC(C)(C)C ZINC000035570092 172265407 /nfs/dbraw/zinc/26/54/07/172265407.db2.gz CTBDPOQIXQDKGR-QWHCGFSZSA-N 2 2 251.418 3.393 10 0 CGAELP CCC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1c(F)cccc1Cl ZINC000035586656 172286128 /nfs/dbraw/zinc/28/61/28/172286128.db2.gz NPQDLEAZCFWKAG-GFCCVEGCSA-N 2 2 281.762 3.486 10 0 CGAELP Cc1ccc(C[N@@H+](C)C2(C[NH3+])CCCCCC2)o1 ZINC000035699564 172368520 /nfs/dbraw/zinc/36/85/20/172368520.db2.gz RGYIFTVHSOLPCK-UHFFFAOYSA-N 2 2 250.386 3.072 10 0 CGAELP Cc1ccc(C[N@H+](C)C2(C[NH3+])CCCCCC2)o1 ZINC000035699564 172368522 /nfs/dbraw/zinc/36/85/22/172368522.db2.gz RGYIFTVHSOLPCK-UHFFFAOYSA-N 2 2 250.386 3.072 10 0 CGAELP CCCCCC[C@H](C[NH3+])[N@H+](C)Cc1ccsc1 ZINC000035718994 172372729 /nfs/dbraw/zinc/37/27/29/172372729.db2.gz BYRBOWCHWHLQJF-CQSZACIVSA-N 2 2 254.443 3.478 10 0 CGAELP CCCCCC[C@H](C[NH3+])[N@@H+](C)Cc1ccsc1 ZINC000035718994 172372731 /nfs/dbraw/zinc/37/27/31/172372731.db2.gz BYRBOWCHWHLQJF-CQSZACIVSA-N 2 2 254.443 3.478 10 0 CGAELP CCC1CCC(C[NH3+])([N@H+](C)Cc2ccsc2)CC1 ZINC000035719044 172373140 /nfs/dbraw/zinc/37/31/40/172373140.db2.gz XPDXEKMFSYJHTA-UHFFFAOYSA-N 2 2 266.454 3.478 10 0 CGAELP CCC1CCC(C[NH3+])([N@@H+](C)Cc2ccsc2)CC1 ZINC000035719044 172373143 /nfs/dbraw/zinc/37/31/43/172373143.db2.gz XPDXEKMFSYJHTA-UHFFFAOYSA-N 2 2 266.454 3.478 10 0 CGAELP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccc(C)c(F)c2)n1C ZINC000657391653 419268349 /nfs/dbraw/zinc/26/83/49/419268349.db2.gz GTKKRRDGCFQSSW-NSHDSACASA-N 2 2 261.344 3.027 10 0 CGAELP Cc1cc(C[NH2+][C@@H](CC(C)C)C[NH+](C)C)cc(C)c1O ZINC000037167321 270028675 /nfs/dbraw/zinc/02/86/75/270028675.db2.gz GXXYCWNSQRDBRJ-INIZCTEOSA-N 2 2 278.440 3.075 10 0 CGAELP CCc1cccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000189510012 270071932 /nfs/dbraw/zinc/07/19/32/270071932.db2.gz RMSDKKKDXWRSLE-GOSISDBHSA-N 2 2 283.419 3.419 10 0 CGAELP CCc1cccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000189510012 270071933 /nfs/dbraw/zinc/07/19/33/270071933.db2.gz RMSDKKKDXWRSLE-GOSISDBHSA-N 2 2 283.419 3.419 10 0 CGAELP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc2c(c1)CCCC2 ZINC000222702838 270086150 /nfs/dbraw/zinc/08/61/50/270086150.db2.gz KVKWTCDVDVZNCX-KSSFIOAISA-N 2 2 272.436 3.310 10 0 CGAELP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc2c(c1)CCCC2 ZINC000222702838 270086151 /nfs/dbraw/zinc/08/61/51/270086151.db2.gz KVKWTCDVDVZNCX-KSSFIOAISA-N 2 2 272.436 3.310 10 0 CGAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1ccccc1Cl ZINC000396674986 288015363 /nfs/dbraw/zinc/01/53/63/288015363.db2.gz SHNFLJMCSGFVKU-WDMOLILDSA-N 2 2 252.789 3.131 10 0 CGAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1ccc(Cl)cc1 ZINC000396707055 288015770 /nfs/dbraw/zinc/01/57/70/288015770.db2.gz KATKLUQGMUNCGN-MISXGVKJSA-N 2 2 252.789 3.131 10 0 CGAELP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2F)CCC[NH2+]1 ZINC000062662080 519270839 /nfs/dbraw/zinc/27/08/39/519270839.db2.gz LPNFNUYFBWCWTR-OAHLLOKOSA-N 2 2 264.388 3.036 10 0 CGAELP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2F)CCC[NH2+]1 ZINC000062662080 519270846 /nfs/dbraw/zinc/27/08/46/519270846.db2.gz LPNFNUYFBWCWTR-OAHLLOKOSA-N 2 2 264.388 3.036 10 0 CGAELP CC(C)[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCC[NH2+]1 ZINC000062663561 519804610 /nfs/dbraw/zinc/80/46/10/519804610.db2.gz QIOGIFDQMFWCRN-HNNXBMFYSA-N 2 2 266.816 3.160 10 0 CGAELP CC(C)[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCC[NH2+]1 ZINC000062663561 519804611 /nfs/dbraw/zinc/80/46/11/519804611.db2.gz QIOGIFDQMFWCRN-HNNXBMFYSA-N 2 2 266.816 3.160 10 0 CGAELP CC[C@H](C[NH2+]C(C)C)[N@H+](C)Cc1ccc(F)cc1 ZINC000052346125 522188978 /nfs/dbraw/zinc/18/89/78/522188978.db2.gz PYTSSDJSRXJZJV-OAHLLOKOSA-N 2 2 252.377 3.034 10 0 CGAELP CC[C@H](C[NH2+]C(C)C)[N@@H+](C)Cc1ccc(F)cc1 ZINC000052346125 522188989 /nfs/dbraw/zinc/18/89/89/522188989.db2.gz PYTSSDJSRXJZJV-OAHLLOKOSA-N 2 2 252.377 3.034 10 0 CGAELP Cc1ccc2c(c1)CCC[N@H+]2CCC[C@H]1CCC[NH2+]1 ZINC000052764237 526144478 /nfs/dbraw/zinc/14/44/78/526144478.db2.gz UCQYHCRYZJERBM-MRXNPFEDSA-N 2 2 258.409 3.280 10 0 CGAELP Cc1ccc2c(c1)CCC[N@@H+]2CCC[C@H]1CCC[NH2+]1 ZINC000052764237 526144481 /nfs/dbraw/zinc/14/44/81/526144481.db2.gz UCQYHCRYZJERBM-MRXNPFEDSA-N 2 2 258.409 3.280 10 0 CGAELP CC(C)Oc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000188402723 542247533 /nfs/dbraw/zinc/24/75/33/542247533.db2.gz MCLXFVWLOXEHSS-KRWDZBQOSA-N 2 2 299.418 3.335 10 0 CGAELP CC(C)Oc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000188402723 542247536 /nfs/dbraw/zinc/24/75/36/542247536.db2.gz MCLXFVWLOXEHSS-KRWDZBQOSA-N 2 2 299.418 3.335 10 0 CGAELP Cc1cc2ccccc2[nH+]c1N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000226955775 346307893 /nfs/dbraw/zinc/30/78/93/346307893.db2.gz XRQOOUSITCQBDA-ZFWWWQNUSA-N 2 2 269.392 3.107 10 0 CGAELP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)o1 ZINC000188418576 542249272 /nfs/dbraw/zinc/24/92/72/542249272.db2.gz LOLWFUTUQNTQIU-FMKPAKJESA-N 2 2 285.391 3.264 10 0 CGAELP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)o1 ZINC000188418576 542249275 /nfs/dbraw/zinc/24/92/75/542249275.db2.gz LOLWFUTUQNTQIU-FMKPAKJESA-N 2 2 285.391 3.264 10 0 CGAELP c1ccc2c(c1)C=C(C[NH+]1CCC([NH+]3CCCC3)CC1)CO2 ZINC000127736354 138390594 /nfs/dbraw/zinc/39/05/94/138390594.db2.gz FLPGPOVOGFMDON-UHFFFAOYSA-N 2 2 298.430 3.023 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCc1ccccc1 ZINC000178284908 189103302 /nfs/dbraw/zinc/10/33/02/189103302.db2.gz PSZSYMIIFANQJU-SFHVURJKSA-N 2 2 283.419 3.289 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCc1ccccc1 ZINC000178284908 189103303 /nfs/dbraw/zinc/10/33/03/189103303.db2.gz PSZSYMIIFANQJU-SFHVURJKSA-N 2 2 283.419 3.289 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000180132999 189238238 /nfs/dbraw/zinc/23/82/38/189238238.db2.gz JNKKJDMKAAYSDR-INIZCTEOSA-N 2 2 294.402 3.337 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccc2[nH]ccc21 ZINC000180132999 189238239 /nfs/dbraw/zinc/23/82/39/189238239.db2.gz JNKKJDMKAAYSDR-INIZCTEOSA-N 2 2 294.402 3.337 10 0 CGAELP Cc1cccc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)[nH+]1 ZINC000301720958 201159939 /nfs/dbraw/zinc/15/99/39/201159939.db2.gz MOTATGSTYMIDNM-WMLDXEAASA-N 2 2 281.403 3.322 10 0 CGAELP Cc1cccc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)[nH+]1 ZINC000301720958 201159942 /nfs/dbraw/zinc/15/99/42/201159942.db2.gz MOTATGSTYMIDNM-WMLDXEAASA-N 2 2 281.403 3.322 10 0 CGAELP CC(C)C[N@@H+]1CCC[C@@H]1CNc1[nH]c2ccccc2[nH+]1 ZINC000301889471 201250910 /nfs/dbraw/zinc/25/09/10/201250910.db2.gz QKAPSKXMUBHTGY-CYBMUJFWSA-N 2 2 272.396 3.095 10 0 CGAELP CC(C)C[N@H+]1CCC[C@@H]1CNc1[nH]c2ccccc2[nH+]1 ZINC000301889471 201250913 /nfs/dbraw/zinc/25/09/13/201250913.db2.gz QKAPSKXMUBHTGY-CYBMUJFWSA-N 2 2 272.396 3.095 10 0 CGAELP CCc1cc(NC2CC[NH2+]CC2)nc(-c2ccc(C)cc2)[nH+]1 ZINC000070451691 369799820 /nfs/dbraw/zinc/79/98/20/369799820.db2.gz HWCCYQJFABHQBW-UHFFFAOYSA-N 2 2 296.418 3.178 10 0 CGAELP CC(C)(C)CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000112697431 370443377 /nfs/dbraw/zinc/44/33/77/370443377.db2.gz HXEXXGDNCSREQL-AWEZNQCLSA-N 2 2 261.413 3.252 10 0 CGAELP CC(C)(C)CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000112697431 370443381 /nfs/dbraw/zinc/44/33/81/370443381.db2.gz HXEXXGDNCSREQL-AWEZNQCLSA-N 2 2 261.413 3.252 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)[C@@H](C)c2ccc(OC)cc2)C1 ZINC000133047940 371223058 /nfs/dbraw/zinc/22/30/58/371223058.db2.gz GVIBFLOLQRAOLS-VYDXJSESSA-N 2 2 290.451 3.261 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)[C@@H](C)c2ccc(OC)cc2)C1 ZINC000133047940 371223063 /nfs/dbraw/zinc/22/30/63/371223063.db2.gz GVIBFLOLQRAOLS-VYDXJSESSA-N 2 2 290.451 3.261 10 0 CGAELP c1ccc(NC[C@H]2CC[N@H+](CC3CCCC3)C2)[nH+]c1 ZINC000170778926 372662266 /nfs/dbraw/zinc/66/22/66/372662266.db2.gz SDRJOSRWJZSIPN-OAHLLOKOSA-N 2 2 259.397 3.006 10 0 CGAELP c1ccc(NC[C@H]2CC[N@@H+](CC3CCCC3)C2)[nH+]c1 ZINC000170778926 372662277 /nfs/dbraw/zinc/66/22/77/372662277.db2.gz SDRJOSRWJZSIPN-OAHLLOKOSA-N 2 2 259.397 3.006 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc(C)cc(C)c1 ZINC000178290382 373762980 /nfs/dbraw/zinc/76/29/80/373762980.db2.gz MUJUFVJFPQAKFL-GOSISDBHSA-N 2 2 283.419 3.473 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc(C)cc(C)c1 ZINC000178290382 373762984 /nfs/dbraw/zinc/76/29/84/373762984.db2.gz MUJUFVJFPQAKFL-GOSISDBHSA-N 2 2 283.419 3.473 10 0 CGAELP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000336655122 375895047 /nfs/dbraw/zinc/89/50/47/375895047.db2.gz FUORMISDQPKXEH-KLZNWCGWSA-N 2 2 260.425 3.141 10 0 CGAELP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000336655122 375895053 /nfs/dbraw/zinc/89/50/53/375895053.db2.gz FUORMISDQPKXEH-KLZNWCGWSA-N 2 2 260.425 3.141 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000336890929 376021543 /nfs/dbraw/zinc/02/15/43/376021543.db2.gz HZJYTDDPPHXTDO-HUUCEWRRSA-N 2 2 250.430 3.173 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000336890929 376021548 /nfs/dbraw/zinc/02/15/48/376021548.db2.gz HZJYTDDPPHXTDO-HUUCEWRRSA-N 2 2 250.430 3.173 10 0 CGAELP Cc1ccc(F)cc1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245959376 376945698 /nfs/dbraw/zinc/94/56/98/376945698.db2.gz MKMARYLKOFAPTC-PBHICJAKSA-N 2 2 287.382 3.414 10 0 CGAELP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245959376 376945703 /nfs/dbraw/zinc/94/57/03/376945703.db2.gz MKMARYLKOFAPTC-PBHICJAKSA-N 2 2 287.382 3.414 10 0 CGAELP COc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000246825712 377097348 /nfs/dbraw/zinc/09/73/48/377097348.db2.gz AFCVTYGGBJFUDY-GRDNDAEWSA-N 2 2 276.424 3.075 10 0 CGAELP COc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000246825712 377097361 /nfs/dbraw/zinc/09/73/61/377097361.db2.gz AFCVTYGGBJFUDY-GRDNDAEWSA-N 2 2 276.424 3.075 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3cc(OC)ccc32)C1 ZINC000249615024 377519107 /nfs/dbraw/zinc/51/91/07/377519107.db2.gz VBRHFXKEJPQZLH-QAPCUYQASA-N 2 2 288.435 3.147 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3cc(OC)ccc32)C1 ZINC000249615024 377519111 /nfs/dbraw/zinc/51/91/11/377519111.db2.gz VBRHFXKEJPQZLH-QAPCUYQASA-N 2 2 288.435 3.147 10 0 CGAELP C[C@H]1CCC[N@@H+]([C@H](C[NH3+])c2ccccc2Cl)C1 ZINC000252107138 377616059 /nfs/dbraw/zinc/61/60/59/377616059.db2.gz HFCXWGATMMXXMR-SMDDNHRTSA-N 2 2 252.789 3.072 10 0 CGAELP C[C@H]1CCC[N@H+]([C@H](C[NH3+])c2ccccc2Cl)C1 ZINC000252107138 377616070 /nfs/dbraw/zinc/61/60/70/377616070.db2.gz HFCXWGATMMXXMR-SMDDNHRTSA-N 2 2 252.789 3.072 10 0 CGAELP CC[NH+](CC)CCNc1[nH+]c2ccccc2n1CC(C)C ZINC000005817567 170142930 /nfs/dbraw/zinc/14/29/30/170142930.db2.gz KUURSRYDFPLJKQ-UHFFFAOYSA-N 2 2 288.439 3.446 10 0 CGAELP C[NH+](C)C[C@@H]([NH2+]CCc1ccccc1)c1ccccc1 ZINC000020129274 171016806 /nfs/dbraw/zinc/01/68/06/171016806.db2.gz ONXLRAGUFLLICG-GOSISDBHSA-N 2 2 268.404 3.122 10 0 CGAELP C[NH+](C)C[C@H]([NH2+]CCc1ccccc1)c1ccccc1 ZINC000020129275 171017065 /nfs/dbraw/zinc/01/70/65/171017065.db2.gz ONXLRAGUFLLICG-SFHVURJKSA-N 2 2 268.404 3.122 10 0 CGAELP COc1ccc(C[N@H+](C)[C@H](C[NH3+])c2cccc(C)c2)cc1 ZINC000020225507 171088451 /nfs/dbraw/zinc/08/84/51/171088451.db2.gz XVQLCITVXMFCNB-GOSISDBHSA-N 2 2 284.403 3.135 10 0 CGAELP COc1ccc(C[N@@H+](C)[C@H](C[NH3+])c2cccc(C)c2)cc1 ZINC000020225507 171088452 /nfs/dbraw/zinc/08/84/52/171088452.db2.gz XVQLCITVXMFCNB-GOSISDBHSA-N 2 2 284.403 3.135 10 0 CGAELP C[N@H+](CC(C)(C)C)[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000020225983 171090112 /nfs/dbraw/zinc/09/01/12/171090112.db2.gz GWTAVGTUDBMEAK-CYBMUJFWSA-N 2 2 254.805 3.318 10 0 CGAELP C[N@@H+](CC(C)(C)C)[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000020225983 171090113 /nfs/dbraw/zinc/09/01/13/171090113.db2.gz GWTAVGTUDBMEAK-CYBMUJFWSA-N 2 2 254.805 3.318 10 0 CGAELP C[N@H+](Cc1ccccc1Cl)C1(C[NH3+])CCCCC1 ZINC000020226853 171091576 /nfs/dbraw/zinc/09/15/76/171091576.db2.gz IECLWNXVDQSHQF-UHFFFAOYSA-N 2 2 266.816 3.433 10 0 CGAELP C[N@@H+](Cc1ccccc1Cl)C1(C[NH3+])CCCCC1 ZINC000020226853 171091578 /nfs/dbraw/zinc/09/15/78/171091578.db2.gz IECLWNXVDQSHQF-UHFFFAOYSA-N 2 2 266.816 3.433 10 0 CGAELP C[N@H+](CC(C)(C)C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000020226528 171092062 /nfs/dbraw/zinc/09/20/62/171092062.db2.gz HPZVIJGUMNLABZ-ZDUSSCGKSA-N 2 2 299.256 3.427 10 0 CGAELP C[N@@H+](CC(C)(C)C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000020226528 171092064 /nfs/dbraw/zinc/09/20/64/171092064.db2.gz HPZVIJGUMNLABZ-ZDUSSCGKSA-N 2 2 299.256 3.427 10 0 CGAELP [NH3+]C[C@@H](c1ccc(F)cc1)[NH+]1CCCCCCC1 ZINC000020265287 171122852 /nfs/dbraw/zinc/12/28/52/171122852.db2.gz CYIJTDGZJZNGGP-HNNXBMFYSA-N 2 2 250.361 3.092 10 0 CGAELP CC1CCC(C[NH3+])([N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000035176766 172030208 /nfs/dbraw/zinc/03/02/08/172030208.db2.gz BKOUXVURSBPZSK-VUROTCPHSA-N 2 2 264.457 3.406 10 0 CGAELP CC1CCC(C[NH3+])([N@H+]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000035176766 172030210 /nfs/dbraw/zinc/03/02/10/172030210.db2.gz BKOUXVURSBPZSK-VUROTCPHSA-N 2 2 264.457 3.406 10 0 CGAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cc(Cl)cc(Cl)c1 ZINC000035504180 172237617 /nfs/dbraw/zinc/23/76/17/172237617.db2.gz SIZMWIIKGNJCAW-LLVKDONJSA-N 2 2 270.163 3.220 10 0 CGAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)C[C@H](C)CC(C)(C)C ZINC000035570094 172265075 /nfs/dbraw/zinc/26/50/75/172265075.db2.gz CTBDPOQIXQDKGR-STQMWFEESA-N 2 2 251.418 3.393 10 0 CGAELP CC(C)=CC[NH+]1CCC([NH2+][C@@H](C)c2ccco2)CC1 ZINC000037260426 173070603 /nfs/dbraw/zinc/07/06/03/173070603.db2.gz MHDFIZVQPJFKJT-AWEZNQCLSA-N 2 2 262.397 3.361 10 0 CGAELP [NH3+]CC[N@H+](CCCc1ccccc1)Cc1ccccc1 ZINC000038033246 174030963 /nfs/dbraw/zinc/03/09/63/174030963.db2.gz OLOLTGFWRSUTFQ-UHFFFAOYSA-N 2 2 268.404 3.080 10 0 CGAELP [NH3+]CC[N@@H+](CCCc1ccccc1)Cc1ccccc1 ZINC000038033246 174030964 /nfs/dbraw/zinc/03/09/64/174030964.db2.gz OLOLTGFWRSUTFQ-UHFFFAOYSA-N 2 2 268.404 3.080 10 0 CGAELP CC(C)[N@@H+](Cc1ccccc1)C[C@@H]([NH3+])Cc1ccccc1 ZINC000039141060 174164533 /nfs/dbraw/zinc/16/45/33/174164533.db2.gz SGETXYLQFDAORK-IBGZPJMESA-N 2 2 282.431 3.467 10 0 CGAELP CC(C)[N@H+](Cc1ccccc1)C[C@@H]([NH3+])Cc1ccccc1 ZINC000039141060 174164534 /nfs/dbraw/zinc/16/45/34/174164534.db2.gz SGETXYLQFDAORK-IBGZPJMESA-N 2 2 282.431 3.467 10 0 CGAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)c(Cl)c1 ZINC000040749252 174393646 /nfs/dbraw/zinc/39/36/46/174393646.db2.gz PLDPEWKBMCKAPP-YOGCLGLASA-N 2 2 285.218 3.448 10 0 CGAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)c(Cl)c1 ZINC000040749252 174393647 /nfs/dbraw/zinc/39/36/47/174393647.db2.gz PLDPEWKBMCKAPP-YOGCLGLASA-N 2 2 285.218 3.448 10 0 CGAELP COc1ccc2c(c1)[nH+]c(C1CC[NH2+]CC1)n2C(C)C ZINC000074298118 176514811 /nfs/dbraw/zinc/51/48/11/176514811.db2.gz IEWYFDRJFLBPMT-UHFFFAOYSA-N 2 2 273.380 3.093 10 0 CGAELP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@@H](C)C1)c1ccc(Cl)s1 ZINC000401796452 416546791 /nfs/dbraw/zinc/54/67/91/416546791.db2.gz JRBKYFIXRZJMLZ-GUBZILKMSA-N 2 2 258.818 3.050 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000037321628 270029099 /nfs/dbraw/zinc/02/90/99/270029099.db2.gz XPYQOMHHGILWTH-ZWKOTPCHSA-N 2 2 274.452 3.110 10 0 CGAELP c1ccc2[nH+]c(NCC[NH2+]C3CCCCCC3)[nH]c2c1 ZINC000105922406 270048102 /nfs/dbraw/zinc/04/81/02/270048102.db2.gz GPUKXLHGKMFDMD-UHFFFAOYSA-N 2 2 272.396 3.287 10 0 CGAELP CSc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000396714398 288015828 /nfs/dbraw/zinc/01/58/28/288015828.db2.gz QSDAXUNBZJHBJM-YWPYICTPSA-N 2 2 264.438 3.200 10 0 CGAELP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000020565796 279314658 /nfs/dbraw/zinc/31/46/58/279314658.db2.gz QOOZZYHUJUNJFP-RBSFLKMASA-N 2 2 252.446 3.275 10 0 CGAELP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000020565796 279314659 /nfs/dbraw/zinc/31/46/59/279314659.db2.gz QOOZZYHUJUNJFP-RBSFLKMASA-N 2 2 252.446 3.275 10 0 CGAELP C[C@H](c1cccc(F)c1)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000056494439 290249120 /nfs/dbraw/zinc/24/91/20/290249120.db2.gz JMKWNYQNMRTJHN-CQSZACIVSA-N 2 2 276.399 3.447 10 0 CGAELP CC[NH2+]C[C@H](C(C)C)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000052507861 519957603 /nfs/dbraw/zinc/95/76/03/519957603.db2.gz BUUBETQUPRBEEY-OAHLLOKOSA-N 2 2 268.832 3.406 10 0 CGAELP CCC[NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2sccc2C1 ZINC000052382837 519920713 /nfs/dbraw/zinc/92/07/13/519920713.db2.gz BDPJRSNMLKNONX-AWEZNQCLSA-N 2 2 266.454 3.130 10 0 CGAELP CCC[NH2+]C[C@@H](C(C)C)[N@H+]1CCc2sccc2C1 ZINC000052382837 519920715 /nfs/dbraw/zinc/92/07/15/519920715.db2.gz BDPJRSNMLKNONX-AWEZNQCLSA-N 2 2 266.454 3.130 10 0 CGAELP CC[NH2+]C[C@H](C(C)C)[N@H+](C)Cc1cccc(Cl)c1 ZINC000052507861 519957594 /nfs/dbraw/zinc/95/75/94/519957594.db2.gz BUUBETQUPRBEEY-OAHLLOKOSA-N 2 2 268.832 3.406 10 0 CGAELP CC[C@H](C[NH2+]C1CC1)[N@H+](CC)Cc1cccs1 ZINC000052546301 522192873 /nfs/dbraw/zinc/19/28/73/522192873.db2.gz RXKTYGFSUVYVOF-CYBMUJFWSA-N 2 2 252.427 3.101 10 0 CGAELP CC[C@H](C[NH2+]C1CC1)[N@@H+](CC)Cc1cccs1 ZINC000052546301 522192882 /nfs/dbraw/zinc/19/28/82/522192882.db2.gz RXKTYGFSUVYVOF-CYBMUJFWSA-N 2 2 252.427 3.101 10 0 CGAELP CC[C@@H](C[NH2+]C(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000052419075 522543069 /nfs/dbraw/zinc/54/30/69/522543069.db2.gz XRIGPTAOWYFQJU-INIZCTEOSA-N 2 2 260.425 3.211 10 0 CGAELP CC[C@@H](C[NH2+]C(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC000052419075 522543073 /nfs/dbraw/zinc/54/30/73/522543073.db2.gz XRIGPTAOWYFQJU-INIZCTEOSA-N 2 2 260.425 3.211 10 0 CGAELP CC[C@@H]([NH3+])[C@H](c1ccco1)[NH+]1CCC(C)(C)CC1 ZINC000061818428 522654387 /nfs/dbraw/zinc/65/43/87/522654387.db2.gz FLOLFGYCEAESSG-TZMCWYRMSA-N 2 2 250.386 3.180 10 0 CGAELP Cc1cc(F)ccc1[C@H](C[NH3+])[N@@H+](C)C1CCCC1 ZINC000050578424 525006466 /nfs/dbraw/zinc/00/64/66/525006466.db2.gz SUGCFSHCPOAZQQ-HNNXBMFYSA-N 2 2 250.361 3.008 10 0 CGAELP Cc1cc(F)ccc1[C@H](C[NH3+])[N@H+](C)C1CCCC1 ZINC000050578424 525006477 /nfs/dbraw/zinc/00/64/77/525006477.db2.gz SUGCFSHCPOAZQQ-HNNXBMFYSA-N 2 2 250.361 3.008 10 0 CGAELP C[C@H]([C@@H]([NH3+])c1ccccc1)[NH+]1Cc2ccccc2C1 ZINC000050911010 526020853 /nfs/dbraw/zinc/02/08/53/526020853.db2.gz HWEZKSGZIPKPRT-CXAGYDPISA-N 2 2 252.361 3.091 10 0 CGAELP Cc1cc(C)c(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1C ZINC000188412657 542247672 /nfs/dbraw/zinc/24/76/72/542247672.db2.gz KOSNNJBXYFWUGW-GOSISDBHSA-N 2 2 283.419 3.473 10 0 CGAELP Cc1cc(C)c(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1C ZINC000188412657 542247675 /nfs/dbraw/zinc/24/76/75/542247675.db2.gz KOSNNJBXYFWUGW-GOSISDBHSA-N 2 2 283.419 3.473 10 0 CGAELP CC[NH+](CC)CCCNc1cc2ccccc2c[nH+]1 ZINC000032239311 344930306 /nfs/dbraw/zinc/93/03/06/344930306.db2.gz NEBSVAHHFQOFLP-UHFFFAOYSA-N 2 2 257.381 3.379 10 0 CGAELP Cc1[nH+]c(C)n2c1[C@@H](CCc1ccc(C)cc1C)[NH2+]CC2 ZINC000114153429 345963828 /nfs/dbraw/zinc/96/38/28/345963828.db2.gz RIKSIGXHAPRYJB-QGZVFWFLSA-N 2 2 283.419 3.394 10 0 CGAELP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)[nH]1 ZINC000616630252 348852732 /nfs/dbraw/zinc/85/27/32/348852732.db2.gz RNXPFGKAUJQUKT-HNNXBMFYSA-N 2 2 255.365 3.179 10 0 CGAELP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ccccc3)CC2)[nH]1 ZINC000616630252 348852736 /nfs/dbraw/zinc/85/27/36/348852736.db2.gz RNXPFGKAUJQUKT-HNNXBMFYSA-N 2 2 255.365 3.179 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cccc(OC)c2)C1 ZINC000155224251 188191640 /nfs/dbraw/zinc/19/16/40/188191640.db2.gz AZOCSBHZVKUKRX-INIZCTEOSA-N 2 2 299.418 3.291 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cccc(OC)c2)C1 ZINC000155224251 188191642 /nfs/dbraw/zinc/19/16/42/188191642.db2.gz AZOCSBHZVKUKRX-INIZCTEOSA-N 2 2 299.418 3.291 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CCc2cccc(C)c2)C1 ZINC000040503021 369159429 /nfs/dbraw/zinc/15/94/29/369159429.db2.gz NXGUOQJXUXFKJH-WMZOPIPTSA-N 2 2 274.452 3.390 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)CCc2cccc(C)c2)C1 ZINC000040503021 369159437 /nfs/dbraw/zinc/15/94/37/369159437.db2.gz NXGUOQJXUXFKJH-WMZOPIPTSA-N 2 2 274.452 3.390 10 0 CGAELP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1cccc(Br)c1 ZINC000054764160 369506175 /nfs/dbraw/zinc/50/61/75/369506175.db2.gz HRGOSHSIGSPJTR-VIFPVBQESA-N 2 2 280.169 3.023 10 0 CGAELP CC1(C)CCc2ccccc2[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000132673357 371193372 /nfs/dbraw/zinc/19/33/72/371193372.db2.gz URASYSXNTLCFNT-INIZCTEOSA-N 2 2 269.392 3.186 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(C)cc1C ZINC000180127525 373968323 /nfs/dbraw/zinc/96/83/23/373968323.db2.gz VLIQVGIKWKQBSJ-GOSISDBHSA-N 2 2 283.419 3.473 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(C)cc1C ZINC000180127525 373968328 /nfs/dbraw/zinc/96/83/28/373968328.db2.gz VLIQVGIKWKQBSJ-GOSISDBHSA-N 2 2 283.419 3.473 10 0 CGAELP Cc1nc([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCC2)cs1 ZINC000189758973 375444497 /nfs/dbraw/zinc/44/44/97/375444497.db2.gz SXLZEHUEEVXUCB-HNNXBMFYSA-N 2 2 279.453 3.074 10 0 CGAELP Cc1nc([C@@H]2CCC[N@H+]2CCC[NH+]2CCCC2)cs1 ZINC000189758973 375444499 /nfs/dbraw/zinc/44/44/99/375444499.db2.gz SXLZEHUEEVXUCB-HNNXBMFYSA-N 2 2 279.453 3.074 10 0 CGAELP CCc1ccc([C@@H](CC)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000222697476 376240430 /nfs/dbraw/zinc/24/04/30/376240430.db2.gz MDJLISFNZJLSFP-DLBZAZTESA-N 2 2 260.425 3.384 10 0 CGAELP CCc1ccc([C@@H](CC)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000222697476 376240436 /nfs/dbraw/zinc/24/04/36/376240436.db2.gz MDJLISFNZJLSFP-DLBZAZTESA-N 2 2 260.425 3.384 10 0 CGAELP c1ccc(NC[C@@H]2CC[N@H+](C[C@@H]3CC=CCC3)C2)[nH+]c1 ZINC000245562242 376855764 /nfs/dbraw/zinc/85/57/64/376855764.db2.gz OSELDYDSYCTMTB-CVEARBPZSA-N 2 2 271.408 3.172 10 0 CGAELP c1ccc(NC[C@@H]2CC[N@@H+](C[C@@H]3CC=CCC3)C2)[nH+]c1 ZINC000245562242 376855765 /nfs/dbraw/zinc/85/57/65/376855765.db2.gz OSELDYDSYCTMTB-CVEARBPZSA-N 2 2 271.408 3.172 10 0 CGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(F)c(F)c(F)c3)CC[C@H]21 ZINC000246445355 377030975 /nfs/dbraw/zinc/03/09/75/377030975.db2.gz NMZWVZBITQIURE-SWLSCSKDSA-N 2 2 298.352 3.020 10 0 CGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(F)c(F)c(F)c3)CC[C@H]21 ZINC000246445355 377030986 /nfs/dbraw/zinc/03/09/86/377030986.db2.gz NMZWVZBITQIURE-SWLSCSKDSA-N 2 2 298.352 3.020 10 0 CGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(F)c(F)c(F)c3)CC[C@H]21 ZINC000246445355 377030992 /nfs/dbraw/zinc/03/09/92/377030992.db2.gz NMZWVZBITQIURE-SWLSCSKDSA-N 2 2 298.352 3.020 10 0 CGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(F)c(F)c(F)c3)CC[C@H]21 ZINC000246445355 377031003 /nfs/dbraw/zinc/03/10/03/377031003.db2.gz NMZWVZBITQIURE-SWLSCSKDSA-N 2 2 298.352 3.020 10 0 CGAELP C[C@@H](C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1)c1ccccc1 ZINC000248828381 542337359 /nfs/dbraw/zinc/33/73/59/542337359.db2.gz GUGNOFOBINHUDM-RDJZCZTQSA-N 2 2 269.392 3.151 10 0 CGAELP C[C@@H](C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1)c1ccccc1 ZINC000248828381 542337363 /nfs/dbraw/zinc/33/73/63/542337363.db2.gz GUGNOFOBINHUDM-RDJZCZTQSA-N 2 2 269.392 3.151 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCSc3c(F)cccc32)C1 ZINC000389500873 542609302 /nfs/dbraw/zinc/60/93/02/542609302.db2.gz BZAAIPIKZYPCST-SMDDNHRTSA-N 2 2 280.412 3.046 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCSc3c(F)cccc32)C1 ZINC000389500873 542609304 /nfs/dbraw/zinc/60/93/04/542609304.db2.gz BZAAIPIKZYPCST-SMDDNHRTSA-N 2 2 280.412 3.046 10 0 CGAELP CC[C@H]([NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C)c1ccc(OC)cc1 ZINC000248033686 393082748 /nfs/dbraw/zinc/08/27/48/393082748.db2.gz RBTJBNGCYBMVEG-FHLIZLRMSA-N 2 2 290.451 3.465 10 0 CGAELP CC[C@H]([NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C)c1ccc(OC)cc1 ZINC000248033686 393082756 /nfs/dbraw/zinc/08/27/56/393082756.db2.gz RBTJBNGCYBMVEG-FHLIZLRMSA-N 2 2 290.451 3.465 10 0 CGAELP C[N@@H+]1CCC[C@H]1C[NH2+]C(C)(C)CCc1ccccc1 ZINC000386644641 397689874 /nfs/dbraw/zinc/68/98/74/397689874.db2.gz OZUXFZGPNXKLAX-INIZCTEOSA-N 2 2 260.425 3.082 10 0 CGAELP C[N@H+]1CCC[C@H]1C[NH2+]C(C)(C)CCc1ccccc1 ZINC000386644641 397689875 /nfs/dbraw/zinc/68/98/75/397689875.db2.gz OZUXFZGPNXKLAX-INIZCTEOSA-N 2 2 260.425 3.082 10 0 CGAELP CCOc1cccc([C@H](C[NH3+])[N@H+](C)CC(C)(C)C)c1 ZINC000020226211 171090496 /nfs/dbraw/zinc/09/04/96/171090496.db2.gz QBCFXWJIGXSLBN-HNNXBMFYSA-N 2 2 264.413 3.063 10 0 CGAELP CCOc1cccc([C@H](C[NH3+])[N@@H+](C)CC(C)(C)C)c1 ZINC000020226211 171090498 /nfs/dbraw/zinc/09/04/98/171090498.db2.gz QBCFXWJIGXSLBN-HNNXBMFYSA-N 2 2 264.413 3.063 10 0 CGAELP [NH3+]C[C@H](c1cccc(F)c1)[NH+]1CCCCCCC1 ZINC000020265224 171122974 /nfs/dbraw/zinc/12/29/74/171122974.db2.gz MFIVUSHRDSUAEL-OAHLLOKOSA-N 2 2 250.361 3.092 10 0 CGAELP CC1CC[NH+]([C@@H](C[NH3+])c2ccc(OC(F)F)cc2)CC1 ZINC000022170282 171367925 /nfs/dbraw/zinc/36/79/25/171367925.db2.gz KBFAZFSPZVNNMV-AWEZNQCLSA-N 2 2 284.350 3.020 10 0 CGAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1ccccc1OCC ZINC000038860225 174158087 /nfs/dbraw/zinc/15/80/87/174158087.db2.gz NAZCNJYRQGOGAP-HNNXBMFYSA-N 2 2 264.413 3.207 10 0 CGAELP CCOCCCn1c(CCCCC[NH3+])[nH+]c2ccccc21 ZINC000040163856 174196764 /nfs/dbraw/zinc/19/67/64/174196764.db2.gz OQJGNJADCASZOL-UHFFFAOYSA-N 2 2 289.423 3.134 10 0 CGAELP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1cccc(Cl)c1 ZINC000657287555 419243298 /nfs/dbraw/zinc/24/32/98/419243298.db2.gz QRRLFFVFPURQDD-NSHDSACASA-N 2 2 275.783 3.334 10 0 CGAELP Cc1cc(C[NH2+][C@H](CC(C)C)C[NH+](C)C)cc(C)c1O ZINC000037167322 270028873 /nfs/dbraw/zinc/02/88/73/270028873.db2.gz GXXYCWNSQRDBRJ-MRXNPFEDSA-N 2 2 278.440 3.075 10 0 CGAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC12CCCC2 ZINC000474061380 278975492 /nfs/dbraw/zinc/97/54/92/278975492.db2.gz AKYCTYFRYLXQHH-LSDHHAIUSA-N 2 2 252.446 3.275 10 0 CGAELP CCCCC[N@@H+]1CCC[NH2+][C@H](Cc2ccccc2)C1 ZINC000062657667 520178944 /nfs/dbraw/zinc/17/89/44/520178944.db2.gz DVPSYONCYSOJCR-QGZVFWFLSA-N 2 2 260.425 3.083 10 0 CGAELP CCCCC[N@H+]1CCC[NH2+][C@H](Cc2ccccc2)C1 ZINC000062657667 520178950 /nfs/dbraw/zinc/17/89/50/520178950.db2.gz DVPSYONCYSOJCR-QGZVFWFLSA-N 2 2 260.425 3.083 10 0 CGAELP CCCOc1cccc([C@@H](C[NH3+])[N@H+](CC)C(C)C)c1 ZINC000052920937 520465571 /nfs/dbraw/zinc/46/55/71/520465571.db2.gz RZEQBWDLFFFKBE-MRXNPFEDSA-N 2 2 264.413 3.206 10 0 CGAELP CCCOc1cccc([C@@H](C[NH3+])[N@@H+](CC)C(C)C)c1 ZINC000052920937 520465575 /nfs/dbraw/zinc/46/55/75/520465575.db2.gz RZEQBWDLFFFKBE-MRXNPFEDSA-N 2 2 264.413 3.206 10 0 CGAELP CC(C)[C@@H](C)[N@H+](C)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062710043 519791378 /nfs/dbraw/zinc/79/13/78/519791378.db2.gz QNYTWCFYFNRETF-RNCFNFMXSA-N 2 2 274.330 3.080 10 0 CGAELP CC(C)[C@@H](C)[N@@H+](C)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062710043 519791379 /nfs/dbraw/zinc/79/13/79/519791379.db2.gz QNYTWCFYFNRETF-RNCFNFMXSA-N 2 2 274.330 3.080 10 0 CGAELP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccco1 ZINC000054601347 519907670 /nfs/dbraw/zinc/90/76/70/519907670.db2.gz RELPSUFWLMMCHA-GOOCMWNKSA-N 2 2 262.397 3.165 10 0 CGAELP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccco1 ZINC000054601347 519907672 /nfs/dbraw/zinc/90/76/72/519907672.db2.gz RELPSUFWLMMCHA-GOOCMWNKSA-N 2 2 262.397 3.165 10 0 CGAELP CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1[N@H+](C)CC1CC1 ZINC000054555225 520220302 /nfs/dbraw/zinc/22/03/02/520220302.db2.gz FXUZOZMOOUNZJI-JYJNAYRXSA-N 2 2 252.446 3.131 10 0 CGAELP CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1[N@@H+](C)CC1CC1 ZINC000054555225 520220308 /nfs/dbraw/zinc/22/03/08/520220308.db2.gz FXUZOZMOOUNZJI-JYJNAYRXSA-N 2 2 252.446 3.131 10 0 CGAELP C[C@H]1CC[N@@H+]([C@@H](C[NH3+])c2csc3ccccc23)C1 ZINC000054464264 524305692 /nfs/dbraw/zinc/30/56/92/524305692.db2.gz QGPFJPPMRCJVBU-FZMZJTMJSA-N 2 2 260.406 3.243 10 0 CGAELP C[C@H]1CC[N@H+]([C@@H](C[NH3+])c2csc3ccccc23)C1 ZINC000054464264 524305699 /nfs/dbraw/zinc/30/56/99/524305699.db2.gz QGPFJPPMRCJVBU-FZMZJTMJSA-N 2 2 260.406 3.243 10 0 CGAELP C[C@@H](CC[NH+](C)C)[NH2+]Cc1c(Cl)cccc1Cl ZINC000049553437 524474797 /nfs/dbraw/zinc/47/47/97/524474797.db2.gz ATNVSRKGYWSSNM-JTQLQIEISA-N 2 2 275.223 3.423 10 0 CGAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[N@H+](C)CC(C)(C)C ZINC000050579204 525003439 /nfs/dbraw/zinc/00/34/39/525003439.db2.gz IPVFFPWRGNPOKD-CQSZACIVSA-N 2 2 252.377 3.112 10 0 CGAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[N@@H+](C)CC(C)(C)C ZINC000050579204 525003453 /nfs/dbraw/zinc/00/34/53/525003453.db2.gz IPVFFPWRGNPOKD-CQSZACIVSA-N 2 2 252.377 3.112 10 0 CGAELP C[C@H]1CCCC[C@H]1[N@H+](C)Cc1[nH+]c(NN)ccc1Cl ZINC000061638475 526261303 /nfs/dbraw/zinc/26/13/03/526261303.db2.gz PVRTYWOOOCFLRK-GXFFZTMASA-N 2 2 282.819 3.031 10 0 CGAELP C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1[nH+]c(NN)ccc1Cl ZINC000061638475 526261306 /nfs/dbraw/zinc/26/13/06/526261306.db2.gz PVRTYWOOOCFLRK-GXFFZTMASA-N 2 2 282.819 3.031 10 0 CGAELP CC[C@@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)c1cccc(F)c1 ZINC000166538502 529202616 /nfs/dbraw/zinc/20/26/16/529202616.db2.gz MTHLYVKGJLETPC-HZPDHXFCSA-N 2 2 264.388 3.351 10 0 CGAELP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)c1cccc(F)c1 ZINC000166538502 529202619 /nfs/dbraw/zinc/20/26/19/529202619.db2.gz MTHLYVKGJLETPC-HZPDHXFCSA-N 2 2 264.388 3.351 10 0 CGAELP c1[nH]cc(CC[C@H]2CCCC[N@@H+]2Cc2ccccc2)[nH+]1 ZINC000141724580 346109607 /nfs/dbraw/zinc/10/96/07/346109607.db2.gz LDOHAXPAOAYGTO-QGZVFWFLSA-N 2 2 269.392 3.397 10 0 CGAELP c1[nH]cc(CC[C@H]2CCCC[N@H+]2Cc2ccccc2)[nH+]1 ZINC000141724580 346109609 /nfs/dbraw/zinc/10/96/09/346109609.db2.gz LDOHAXPAOAYGTO-QGZVFWFLSA-N 2 2 269.392 3.397 10 0 CGAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000246203014 346359647 /nfs/dbraw/zinc/35/96/47/346359647.db2.gz JHKDSHIQFKPASH-BFYDXBDKSA-N 2 2 260.425 3.108 10 0 CGAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000246203014 346359649 /nfs/dbraw/zinc/35/96/49/346359649.db2.gz JHKDSHIQFKPASH-BFYDXBDKSA-N 2 2 260.425 3.108 10 0 CGAELP C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000158215749 188364238 /nfs/dbraw/zinc/36/42/38/188364238.db2.gz BRVMSASPLFXFFQ-ZVZYQTTQSA-N 2 2 299.418 3.074 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCOc1ccccc1 ZINC000178286684 189103019 /nfs/dbraw/zinc/10/30/19/189103019.db2.gz QOZRBMLYTLUEFK-QGZVFWFLSA-N 2 2 299.418 3.125 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCOc1ccccc1 ZINC000178286684 189103020 /nfs/dbraw/zinc/10/30/20/189103020.db2.gz QOZRBMLYTLUEFK-QGZVFWFLSA-N 2 2 299.418 3.125 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCc1ccc(C)cc1 ZINC000178748523 189142566 /nfs/dbraw/zinc/14/25/66/189142566.db2.gz DFGNCGOCTOVKSH-GOSISDBHSA-N 2 2 283.419 3.207 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCc1ccc(C)cc1 ZINC000178748523 189142567 /nfs/dbraw/zinc/14/25/67/189142567.db2.gz DFGNCGOCTOVKSH-GOSISDBHSA-N 2 2 283.419 3.207 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC000040502550 369158398 /nfs/dbraw/zinc/15/83/98/369158398.db2.gz GXTWHXFSZHIVPV-KBXCAEBGSA-N 2 2 272.436 3.310 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC000040502550 369158399 /nfs/dbraw/zinc/15/83/99/369158399.db2.gz GXTWHXFSZHIVPV-KBXCAEBGSA-N 2 2 272.436 3.310 10 0 CGAELP c1ccc2c(c1)cc[nH+]c2N1CCC([NH2+]CC2CC2)CC1 ZINC000168738409 372617635 /nfs/dbraw/zinc/61/76/35/372617635.db2.gz UWDJVQUERSZJSR-UHFFFAOYSA-N 2 2 281.403 3.203 10 0 CGAELP COCCC[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000178125312 373747407 /nfs/dbraw/zinc/74/74/07/373747407.db2.gz TUYYFBBNEFUEEY-GJZGRUSLSA-N 2 2 287.407 3.338 10 0 CGAELP c1coc([C@H]2CCC[N@H+]2Cc2cccc3[nH+]ccn32)c1 ZINC000180193258 373975660 /nfs/dbraw/zinc/97/56/60/373975660.db2.gz NNCPQVBCNLRDGA-CQSZACIVSA-N 2 2 267.332 3.264 10 0 CGAELP c1coc([C@H]2CCC[N@@H+]2Cc2cccc3[nH+]ccn32)c1 ZINC000180193258 373975666 /nfs/dbraw/zinc/97/56/66/373975666.db2.gz NNCPQVBCNLRDGA-CQSZACIVSA-N 2 2 267.332 3.264 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(Br)c2)C1 ZINC000328393863 374366591 /nfs/dbraw/zinc/36/65/91/374366591.db2.gz YOIVLYQXHORLFN-SMDDNHRTSA-N 2 2 297.240 3.194 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(Br)c2)C1 ZINC000328393863 374366597 /nfs/dbraw/zinc/36/65/97/374366597.db2.gz YOIVLYQXHORLFN-SMDDNHRTSA-N 2 2 297.240 3.194 10 0 CGAELP Fc1cccc(F)c1[C@H]1CC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000185329786 374639906 /nfs/dbraw/zinc/63/99/06/374639906.db2.gz YDYFHXSVSFZURL-AWEZNQCLSA-N 2 2 294.389 3.240 10 0 CGAELP Fc1cccc(F)c1[C@H]1CC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000185329786 374639910 /nfs/dbraw/zinc/63/99/10/374639910.db2.gz YDYFHXSVSFZURL-AWEZNQCLSA-N 2 2 294.389 3.240 10 0 CGAELP CC(C)[NH2+]CC[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000193488688 375887186 /nfs/dbraw/zinc/88/71/86/375887186.db2.gz LMQCWQVRIOMAFO-OAHLLOKOSA-N 2 2 283.419 3.397 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCC23CCCC3)C1 ZINC000336890928 376021556 /nfs/dbraw/zinc/02/15/56/376021556.db2.gz HZJYTDDPPHXTDO-GJZGRUSLSA-N 2 2 250.430 3.173 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCCC23CCCC3)C1 ZINC000336890928 376021563 /nfs/dbraw/zinc/02/15/63/376021563.db2.gz HZJYTDDPPHXTDO-GJZGRUSLSA-N 2 2 250.430 3.173 10 0 CGAELP c1ccc(CC[N@@H+]2CC[C@H]([NH2+][C@@H]3CC=CCC3)C2)cc1 ZINC000226507151 376361428 /nfs/dbraw/zinc/36/14/28/376361428.db2.gz RDEICIXIQXGNJR-MSOLQXFVSA-N 2 2 270.420 3.002 10 0 CGAELP c1ccc(CC[N@H+]2CC[C@H]([NH2+][C@@H]3CC=CCC3)C2)cc1 ZINC000226507151 376361430 /nfs/dbraw/zinc/36/14/30/376361430.db2.gz RDEICIXIQXGNJR-MSOLQXFVSA-N 2 2 270.420 3.002 10 0 CGAELP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1c1nccs1 ZINC000245625763 376870294 /nfs/dbraw/zinc/87/02/94/376870294.db2.gz OXTSGZZUCSTCFC-KBPBESRZSA-N 2 2 279.453 3.154 10 0 CGAELP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1c1nccs1 ZINC000245625763 376870304 /nfs/dbraw/zinc/87/03/04/376870304.db2.gz OXTSGZZUCSTCFC-KBPBESRZSA-N 2 2 279.453 3.154 10 0 CGAELP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000245625763 376870311 /nfs/dbraw/zinc/87/03/11/376870311.db2.gz OXTSGZZUCSTCFC-KBPBESRZSA-N 2 2 279.453 3.154 10 0 CGAELP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@H]1c1nccs1 ZINC000245625763 376870318 /nfs/dbraw/zinc/87/03/18/376870318.db2.gz OXTSGZZUCSTCFC-KBPBESRZSA-N 2 2 279.453 3.154 10 0 CGAELP C[C@@H]1CC[N@H+](Cc2cc(F)ccc2F)C[C@H]1n1cc[nH+]c1 ZINC000245720868 376890074 /nfs/dbraw/zinc/89/00/74/376890074.db2.gz UTZIEZKJNQSBTQ-MLGOLLRUSA-N 2 2 291.345 3.244 10 0 CGAELP C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2F)C[C@H]1n1cc[nH+]c1 ZINC000245720868 376890079 /nfs/dbraw/zinc/89/00/79/376890079.db2.gz UTZIEZKJNQSBTQ-MLGOLLRUSA-N 2 2 291.345 3.244 10 0 CGAELP Cc1ccccc1[C@@H]1C[N@H+](CCCn2cc[nH+]c2)[C@@H](C)CO1 ZINC000245859126 376921455 /nfs/dbraw/zinc/92/14/55/376921455.db2.gz OHEAMDGRQHOXLW-WMZOPIPTSA-N 2 2 299.418 3.044 10 0 CGAELP Cc1ccccc1[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)[C@@H](C)CO1 ZINC000245859126 376921462 /nfs/dbraw/zinc/92/14/62/376921462.db2.gz OHEAMDGRQHOXLW-WMZOPIPTSA-N 2 2 299.418 3.044 10 0 CGAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C(C1CC1)C1CC1 ZINC000247175758 377172183 /nfs/dbraw/zinc/17/21/83/377172183.db2.gz YVLIVBMEDSLOCG-KBXCAEBGSA-N 2 2 299.462 3.070 10 0 CGAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C(C1CC1)C1CC1 ZINC000247175758 377172189 /nfs/dbraw/zinc/17/21/89/377172189.db2.gz YVLIVBMEDSLOCG-KBXCAEBGSA-N 2 2 299.462 3.070 10 0 CGAELP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C1CCC1 ZINC000247995004 377254940 /nfs/dbraw/zinc/25/49/40/377254940.db2.gz JVIVJACGVUEDMT-RKVPGOIHSA-N 2 2 287.451 3.070 10 0 CGAELP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C1CCC1 ZINC000247995004 377254949 /nfs/dbraw/zinc/25/49/49/377254949.db2.gz JVIVJACGVUEDMT-RKVPGOIHSA-N 2 2 287.451 3.070 10 0 CGAELP Cc1cc(N2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)nc(C)[nH+]1 ZINC000275849188 291934382 /nfs/dbraw/zinc/93/43/82/291934382.db2.gz RFTQPICZZPYMNZ-OAHLLOKOSA-N 2 2 297.406 3.037 10 0 CGAELP COc1ccccc1/C=C\C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000588549175 542769782 /nfs/dbraw/zinc/76/97/82/542769782.db2.gz GYMUYUVINKZHSA-IMXKFXGHSA-N 2 2 297.402 3.070 10 0 CGAELP COc1ccccc1/C=C\C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000588549175 542769787 /nfs/dbraw/zinc/76/97/87/542769787.db2.gz GYMUYUVINKZHSA-IMXKFXGHSA-N 2 2 297.402 3.070 10 0 CGAELP Cc1ccc(C)c(C[NH2+][C@H](CC(C)C)C[NH+](C)C)c1 ZINC000049555522 286927343 /nfs/dbraw/zinc/92/73/43/286927343.db2.gz VONDJYYTLOXXHY-QGZVFWFLSA-N 2 2 262.441 3.369 10 0 CGAELP CC(C)COc1ccc([C@H](C)[NH2+]Cc2c[nH+]c[nH]2)cc1 ZINC000088750832 165195835 /nfs/dbraw/zinc/19/58/35/165195835.db2.gz BXLICBPXPLYWHM-ZDUSSCGKSA-N 2 2 273.380 3.295 10 0 CGAELP CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC000116386601 287157198 /nfs/dbraw/zinc/15/71/98/287157198.db2.gz BYHFLDRWJKVNGK-SJORKVTESA-N 2 2 260.425 3.082 10 0 CGAELP CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC000116386601 287157200 /nfs/dbraw/zinc/15/72/00/287157200.db2.gz BYHFLDRWJKVNGK-SJORKVTESA-N 2 2 260.425 3.082 10 0 CGAELP Cc1[nH+]c2ccccc2n1[C@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000019386937 170779710 /nfs/dbraw/zinc/77/97/10/170779710.db2.gz NADXGZFXGQQGGK-DLBZAZTESA-N 2 2 263.344 3.142 10 0 CGAELP Cc1ccccc1C[N@@H+](C)[C@H](C[NH3+])c1ccccc1C ZINC000020225431 171088826 /nfs/dbraw/zinc/08/88/26/171088826.db2.gz FJBUQYGUZJUZHF-GOSISDBHSA-N 2 2 268.404 3.435 10 0 CGAELP Cc1ccccc1C[N@H+](C)[C@H](C[NH3+])c1ccccc1C ZINC000020225431 171088829 /nfs/dbraw/zinc/08/88/29/171088829.db2.gz FJBUQYGUZJUZHF-GOSISDBHSA-N 2 2 268.404 3.435 10 0 CGAELP CCn1cc(C[NH2+]CCCn2cc[nH+]c2)c2ccccc21 ZINC000020935270 171281709 /nfs/dbraw/zinc/28/17/09/171281709.db2.gz RSIGGPJVCMRSIZ-UHFFFAOYSA-N 2 2 282.391 3.038 10 0 CGAELP C[C@H]1C[C@H]1c1ccc([C@@H](C[NH3+])[NH+]2CCC(C)CC2)o1 ZINC000022164995 171365063 /nfs/dbraw/zinc/36/50/63/171365063.db2.gz CBIIWVVLWZZLAO-BFHYXJOUSA-N 2 2 262.397 3.135 10 0 CGAELP C[C@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000022165415 171365824 /nfs/dbraw/zinc/36/58/24/171365824.db2.gz KPHHBITVXITFLF-FZMZJTMJSA-N 2 2 252.789 3.214 10 0 CGAELP C[C@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000022165415 171365825 /nfs/dbraw/zinc/36/58/25/171365825.db2.gz KPHHBITVXITFLF-FZMZJTMJSA-N 2 2 252.789 3.214 10 0 CGAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(Cl)c(Cl)c1 ZINC000035504003 172237825 /nfs/dbraw/zinc/23/78/25/172237825.db2.gz QHFZSODFRWLHHS-NSHDSACASA-N 2 2 270.163 3.220 10 0 CGAELP Cc1ccc(N(CCC[NH3+])c2ccc(C)c[nH+]2)cc1 ZINC000037297564 173101478 /nfs/dbraw/zinc/10/14/78/173101478.db2.gz MULLPSKDAREYCL-UHFFFAOYSA-N 2 2 255.365 3.185 10 0 CGAELP Cc1ncsc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000037314080 173115814 /nfs/dbraw/zinc/11/58/14/173115814.db2.gz MXBXDQMXOZXDEA-XQQFMLRXSA-N 2 2 276.409 3.092 10 0 CGAELP C[NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCCC1 ZINC000039978701 174181274 /nfs/dbraw/zinc/18/12/74/174181274.db2.gz KAVSZQWQQFZXIU-CYBMUJFWSA-N 2 2 272.314 3.062 10 0 CGAELP CCOCCCn1c2cc(Cl)ccc2[nH+]c1CCC[NH3+] ZINC000040403500 174253762 /nfs/dbraw/zinc/25/37/62/174253762.db2.gz FKNUMQJDHBDBQH-UHFFFAOYSA-N 2 2 295.814 3.008 10 0 CGAELP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657303099 419246267 /nfs/dbraw/zinc/24/62/67/419246267.db2.gz ZYNCIYKGRKSFFX-WDEREUQCSA-N 2 2 287.329 3.040 10 0 CGAELP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)n1C ZINC000657326143 419250723 /nfs/dbraw/zinc/25/07/23/419250723.db2.gz AQAKCIBVYVIQBC-VIFPVBQESA-N 2 2 281.762 3.372 10 0 CGAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1cccc(Cl)c1 ZINC000396673358 288015353 /nfs/dbraw/zinc/01/53/53/288015353.db2.gz RPGWOPBTTIAGLC-COPLHBTASA-N 2 2 252.789 3.131 10 0 CGAELP CCC[C@H](C)[N@H+](C)[C@@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596673 521036943 /nfs/dbraw/zinc/03/69/43/521036943.db2.gz FTTLOVZUVMTZMW-ZFWWWQNUSA-N 2 2 264.413 3.124 10 0 CGAELP CCC[C@H](C)[N@@H+](C)[C@@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596673 521036956 /nfs/dbraw/zinc/03/69/56/521036956.db2.gz FTTLOVZUVMTZMW-ZFWWWQNUSA-N 2 2 264.413 3.124 10 0 CGAELP C[NH2+]C[C@@H](C(C)C)[N@H+](C)Cc1ccc(Cl)s1 ZINC000052508816 522023376 /nfs/dbraw/zinc/02/33/76/522023376.db2.gz SJHVJOJRSYUXFT-NSHDSACASA-N 2 2 260.834 3.077 10 0 CGAELP C[NH2+]C[C@@H](C(C)C)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000052508816 522023392 /nfs/dbraw/zinc/02/33/92/522023392.db2.gz SJHVJOJRSYUXFT-NSHDSACASA-N 2 2 260.834 3.077 10 0 CGAELP Cc1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])c(Br)c1 ZINC000164124871 524392442 /nfs/dbraw/zinc/39/24/42/524392442.db2.gz AHKQCZUSJPCDSC-UHFFFAOYSA-N 2 2 299.256 3.174 10 0 CGAELP Cc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])c(Br)c1 ZINC000164124871 524392451 /nfs/dbraw/zinc/39/24/51/524392451.db2.gz AHKQCZUSJPCDSC-UHFFFAOYSA-N 2 2 299.256 3.174 10 0 CGAELP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)C1 ZINC000250697564 571884071 /nfs/dbraw/zinc/88/40/71/571884071.db2.gz MKTGHRLOPCKVSD-KKUMJFAQSA-N 2 2 252.446 3.275 10 0 CGAELP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)C1 ZINC000250697564 571884074 /nfs/dbraw/zinc/88/40/74/571884074.db2.gz MKTGHRLOPCKVSD-KKUMJFAQSA-N 2 2 252.446 3.275 10 0 CGAELP [NH3+]Cc1ccccc1-c1c[nH+]cn1CCc1ccc(F)cc1 ZINC000584595149 346686997 /nfs/dbraw/zinc/68/69/97/346686997.db2.gz GSHFDZHAIIARKO-UHFFFAOYSA-N 2 2 295.361 3.391 10 0 CGAELP Fc1cccc(F)c1[C@@H]1CC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000185329766 283015199 /nfs/dbraw/zinc/01/51/99/283015199.db2.gz YDYFHXSVSFZURL-CQSZACIVSA-N 2 2 294.389 3.240 10 0 CGAELP Fc1cccc(F)c1[C@@H]1CC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000185329766 283015202 /nfs/dbraw/zinc/01/52/02/283015202.db2.gz YDYFHXSVSFZURL-CQSZACIVSA-N 2 2 294.389 3.240 10 0 CGAELP CCc1ccc([C@@H]2CCCC[N@@H+]2Cc2c[nH+]cn2C)o1 ZINC000177128240 189030700 /nfs/dbraw/zinc/03/07/00/189030700.db2.gz PXIWGEIWGDOYRA-HNNXBMFYSA-N 2 2 273.380 3.303 10 0 CGAELP CCc1ccc([C@@H]2CCCC[N@H+]2Cc2c[nH+]cn2C)o1 ZINC000177128240 189030701 /nfs/dbraw/zinc/03/07/01/189030701.db2.gz PXIWGEIWGDOYRA-HNNXBMFYSA-N 2 2 273.380 3.303 10 0 CGAELP COCc1cccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000179227945 189179431 /nfs/dbraw/zinc/17/94/31/189179431.db2.gz CZISACDYOZXMDJ-SFHVURJKSA-N 2 2 299.418 3.003 10 0 CGAELP COCc1cccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000179227945 189179432 /nfs/dbraw/zinc/17/94/32/189179432.db2.gz CZISACDYOZXMDJ-SFHVURJKSA-N 2 2 299.418 3.003 10 0 CGAELP c1ccc(NC[C@@H]2CC[N@H+](C[C@H]3CC=CCC3)C2)[nH+]c1 ZINC000092812469 370103675 /nfs/dbraw/zinc/10/36/75/370103675.db2.gz OSELDYDSYCTMTB-HOTGVXAUSA-N 2 2 271.408 3.172 10 0 CGAELP c1ccc(NC[C@@H]2CC[N@@H+](C[C@H]3CC=CCC3)C2)[nH+]c1 ZINC000092812469 370103678 /nfs/dbraw/zinc/10/36/78/370103678.db2.gz OSELDYDSYCTMTB-HOTGVXAUSA-N 2 2 271.408 3.172 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+]C/C(C)=C/c2ccccc2)C1 ZINC000142719158 371514691 /nfs/dbraw/zinc/51/46/91/371514691.db2.gz IRQFJBBCIINUKY-VMEIHUARSA-N 2 2 258.409 3.164 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+]C/C(C)=C/c2ccccc2)C1 ZINC000142719158 371514696 /nfs/dbraw/zinc/51/46/96/371514696.db2.gz IRQFJBBCIINUKY-VMEIHUARSA-N 2 2 258.409 3.164 10 0 CGAELP COc1cccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000151100776 371568734 /nfs/dbraw/zinc/56/87/34/371568734.db2.gz XCWIZYKZRCQXIC-INIZCTEOSA-N 2 2 297.402 3.024 10 0 CGAELP COc1cccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000151100776 371568741 /nfs/dbraw/zinc/56/87/41/371568741.db2.gz XCWIZYKZRCQXIC-INIZCTEOSA-N 2 2 297.402 3.024 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCSc3ccc(F)cc32)C1 ZINC000328321109 374363844 /nfs/dbraw/zinc/36/38/44/374363844.db2.gz DVFMYMVXMJLDSL-OCCSQVGLSA-N 2 2 280.412 3.046 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCSc3ccc(F)cc32)C1 ZINC000328321109 374363848 /nfs/dbraw/zinc/36/38/48/374363848.db2.gz DVFMYMVXMJLDSL-OCCSQVGLSA-N 2 2 280.412 3.046 10 0 CGAELP C[C@H]([NH2+][C@H](C[NH+](C)C)c1ccccc1)C1CCSCC1 ZINC000186952282 374943368 /nfs/dbraw/zinc/94/33/68/374943368.db2.gz JYCXDQWUHYKANZ-WMLDXEAASA-N 2 2 292.492 3.411 10 0 CGAELP C=Cn1cc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000194346798 375987783 /nfs/dbraw/zinc/98/77/83/375987783.db2.gz KEPJPCXFUGEJQZ-CQSZACIVSA-N 2 2 293.374 3.020 10 0 CGAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000246928908 377122594 /nfs/dbraw/zinc/12/25/94/377122594.db2.gz GVEFDHUYYDRMCU-OAUYIBNBSA-N 2 2 276.399 3.131 10 0 CGAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000246928908 377122601 /nfs/dbraw/zinc/12/26/01/377122601.db2.gz GVEFDHUYYDRMCU-OAUYIBNBSA-N 2 2 276.399 3.131 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)c1ccccc1 ZINC000246856445 377105515 /nfs/dbraw/zinc/10/55/15/377105515.db2.gz CJLVEBYPLRUQON-RHSMWYFYSA-N 2 2 269.392 3.417 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)c1ccccc1 ZINC000246856445 377105522 /nfs/dbraw/zinc/10/55/22/377105522.db2.gz CJLVEBYPLRUQON-RHSMWYFYSA-N 2 2 269.392 3.417 10 0 CGAELP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)Cc2ccccc2F)C1 ZINC000247186229 377174574 /nfs/dbraw/zinc/17/45/74/377174574.db2.gz VMIICBHKMJCQBT-JJRVBVJISA-N 2 2 278.415 3.075 10 0 CGAELP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)Cc2ccccc2F)C1 ZINC000247186229 377174582 /nfs/dbraw/zinc/17/45/82/377174582.db2.gz VMIICBHKMJCQBT-JJRVBVJISA-N 2 2 278.415 3.075 10 0 CGAELP CCOc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248180830 377277178 /nfs/dbraw/zinc/27/71/78/377277178.db2.gz WKGJKNCIAUJKEM-RDJZCZTQSA-N 2 2 288.435 3.001 10 0 CGAELP CCOc1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248180830 377277188 /nfs/dbraw/zinc/27/71/88/377277188.db2.gz WKGJKNCIAUJKEM-RDJZCZTQSA-N 2 2 288.435 3.001 10 0 CGAELP CCOc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248180830 377277198 /nfs/dbraw/zinc/27/71/98/377277198.db2.gz WKGJKNCIAUJKEM-RDJZCZTQSA-N 2 2 288.435 3.001 10 0 CGAELP CCOc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248180830 377277204 /nfs/dbraw/zinc/27/72/04/377277204.db2.gz WKGJKNCIAUJKEM-RDJZCZTQSA-N 2 2 288.435 3.001 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)c2cc(C)sc2C)C1 ZINC000249612458 377518785 /nfs/dbraw/zinc/51/87/85/377518785.db2.gz DRLNVAMKLOYCEF-TZMCWYRMSA-N 2 2 266.454 3.500 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)c2cc(C)sc2C)C1 ZINC000249612458 377518794 /nfs/dbraw/zinc/51/87/94/377518794.db2.gz DRLNVAMKLOYCEF-TZMCWYRMSA-N 2 2 266.454 3.500 10 0 CGAELP Clc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)s1 ZINC000177100966 542189983 /nfs/dbraw/zinc/18/99/83/542189983.db2.gz BJQFURYUXSSBQT-LLVKDONJSA-N 2 2 281.812 3.263 10 0 CGAELP Clc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)s1 ZINC000177100966 542189985 /nfs/dbraw/zinc/18/99/85/542189985.db2.gz BJQFURYUXSSBQT-LLVKDONJSA-N 2 2 281.812 3.263 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)c3ccccc32)C1 ZINC000389475482 379897747 /nfs/dbraw/zinc/89/77/47/379897747.db2.gz WBYSTZSBBUXULZ-GRDNDAEWSA-N 2 2 258.409 3.309 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)c3ccccc32)C1 ZINC000389475482 379897754 /nfs/dbraw/zinc/89/77/54/379897754.db2.gz WBYSTZSBBUXULZ-GRDNDAEWSA-N 2 2 258.409 3.309 10 0 CGAELP C[C@@H]([NH2+][C@H](C[NH+](C)C)c1ccccc1)C1CCCC1 ZINC000054077626 392088725 /nfs/dbraw/zinc/08/87/25/392088725.db2.gz OLDMUBPXGRSALY-RHSMWYFYSA-N 2 2 260.425 3.458 10 0 CGAELP CC(C)COc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c[nH]2)cc1 ZINC000088750831 165194968 /nfs/dbraw/zinc/19/49/68/165194968.db2.gz BXLICBPXPLYWHM-CYBMUJFWSA-N 2 2 273.380 3.295 10 0 CGAELP CC[N@H+](Cc1ccccc1)[C@H](C[NH3+])c1cccs1 ZINC000020225299 171087089 /nfs/dbraw/zinc/08/70/89/171087089.db2.gz KVXRKQOXFOVYDK-CQSZACIVSA-N 2 2 260.406 3.270 10 0 CGAELP CC[N@@H+](Cc1ccccc1)[C@H](C[NH3+])c1cccs1 ZINC000020225299 171087090 /nfs/dbraw/zinc/08/70/90/171087090.db2.gz KVXRKQOXFOVYDK-CQSZACIVSA-N 2 2 260.406 3.270 10 0 CGAELP Cc1ccccc1C[N@@H+](C)[C@H](C[NH3+])c1ccccc1 ZINC000020225369 171088842 /nfs/dbraw/zinc/08/88/42/171088842.db2.gz YWJMAPHFNVNTDK-QGZVFWFLSA-N 2 2 254.377 3.127 10 0 CGAELP Cc1ccccc1C[N@H+](C)[C@H](C[NH3+])c1ccccc1 ZINC000020225369 171088843 /nfs/dbraw/zinc/08/88/43/171088843.db2.gz YWJMAPHFNVNTDK-QGZVFWFLSA-N 2 2 254.377 3.127 10 0 CGAELP C[N@H+](CC(C)(C)C)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000020225982 171089432 /nfs/dbraw/zinc/08/94/32/171089432.db2.gz GWTAVGTUDBMEAK-ZDUSSCGKSA-N 2 2 254.805 3.318 10 0 CGAELP C[N@@H+](CC(C)(C)C)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000020225982 171089434 /nfs/dbraw/zinc/08/94/34/171089434.db2.gz GWTAVGTUDBMEAK-ZDUSSCGKSA-N 2 2 254.805 3.318 10 0 CGAELP Cc1ccsc1[C@@H](C[NH3+])[NH+]1CCCCCCC1 ZINC000020265214 171122905 /nfs/dbraw/zinc/12/29/05/171122905.db2.gz PMKVSPADDCFNFC-CYBMUJFWSA-N 2 2 252.427 3.322 10 0 CGAELP COc1ccc2cc([C@H](C[NH3+])[N@H+](C)C(C)C)ccc2c1 ZINC000022170279 171367657 /nfs/dbraw/zinc/36/76/57/171367657.db2.gz RONXEVZILSLSFC-KRWDZBQOSA-N 2 2 272.392 3.188 10 0 CGAELP COc1ccc2cc([C@H](C[NH3+])[N@@H+](C)C(C)C)ccc2c1 ZINC000022170279 171367659 /nfs/dbraw/zinc/36/76/59/171367659.db2.gz RONXEVZILSLSFC-KRWDZBQOSA-N 2 2 272.392 3.188 10 0 CGAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cccc(Cl)c1Cl ZINC000035504271 172237333 /nfs/dbraw/zinc/23/73/33/172237333.db2.gz VPMKEGQJUNCFBN-SNVBAGLBSA-N 2 2 270.163 3.220 10 0 CGAELP C[N@H+]([C@@H](C[NH3+])c1cc(F)ccc1F)C1CCCCC1 ZINC000037233479 173052240 /nfs/dbraw/zinc/05/22/40/173052240.db2.gz HNWJAXNDINAUSN-HNNXBMFYSA-N 2 2 268.351 3.229 10 0 CGAELP C[N@@H+]([C@@H](C[NH3+])c1cc(F)ccc1F)C1CCCCC1 ZINC000037233479 173052242 /nfs/dbraw/zinc/05/22/42/173052242.db2.gz HNWJAXNDINAUSN-HNNXBMFYSA-N 2 2 268.351 3.229 10 0 CGAELP CC[NH2+][C@H](CC)CCc1[nH+]cc(C)c(OC)c1C ZINC000037948764 173889221 /nfs/dbraw/zinc/88/92/21/173889221.db2.gz IZGCUJKCJBQBHQ-CYBMUJFWSA-N 2 2 250.386 3.028 10 0 CGAELP C[C@@H]([NH2+][C@H]1C[NH2+]C[C@@H](C)C1)c1ccc(Cl)s1 ZINC000401796456 416546188 /nfs/dbraw/zinc/54/61/88/416546188.db2.gz JRBKYFIXRZJMLZ-IVZWLZJFSA-N 2 2 258.818 3.050 10 0 CGAELP Cc1cccc(C[NH2+][C@@H](CC(C)C)C[NH+](C)C)c1C ZINC000043314152 270034385 /nfs/dbraw/zinc/03/43/85/270034385.db2.gz TUQBRJBOICOSOW-KRWDZBQOSA-N 2 2 262.441 3.369 10 0 CGAELP Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1C ZINC000222705108 270086147 /nfs/dbraw/zinc/08/61/47/270086147.db2.gz ACQBPWMTZDRQNT-HZPDHXFCSA-N 2 2 260.425 3.357 10 0 CGAELP Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1C ZINC000222705108 270086148 /nfs/dbraw/zinc/08/61/48/270086148.db2.gz ACQBPWMTZDRQNT-HZPDHXFCSA-N 2 2 260.425 3.357 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000328349249 270095139 /nfs/dbraw/zinc/09/51/39/270095139.db2.gz MWHYNRPVSZSRLD-GJZGRUSLSA-N 2 2 250.430 3.173 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000328349249 270095140 /nfs/dbraw/zinc/09/51/40/270095140.db2.gz MWHYNRPVSZSRLD-GJZGRUSLSA-N 2 2 250.430 3.173 10 0 CGAELP CC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379632362 330144647 /nfs/dbraw/zinc/14/46/47/330144647.db2.gz NPWKKNLUTOWKIG-WBVHZDCISA-N 2 2 260.425 3.429 10 0 CGAELP CC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379632362 330144648 /nfs/dbraw/zinc/14/46/48/330144648.db2.gz NPWKKNLUTOWKIG-WBVHZDCISA-N 2 2 260.425 3.429 10 0 CGAELP CC(C)[NH2+]C[C@H](C)[N@H+](C)Cc1cccc(Br)c1 ZINC000052545094 519724764 /nfs/dbraw/zinc/72/47/64/519724764.db2.gz IOHSJLNZNCZJHX-LBPRGKRZSA-N 2 2 299.256 3.267 10 0 CGAELP CC(C)[NH2+]C[C@H](C)[N@@H+](C)Cc1cccc(Br)c1 ZINC000052545094 519724766 /nfs/dbraw/zinc/72/47/66/519724766.db2.gz IOHSJLNZNCZJHX-LBPRGKRZSA-N 2 2 299.256 3.267 10 0 CGAELP CCC[NH2+]C1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000061363800 519906983 /nfs/dbraw/zinc/90/69/83/519906983.db2.gz KUFVQCSTPXHCEQ-LBPRGKRZSA-N 2 2 252.427 3.273 10 0 CGAELP CCC[N@H+](CC1CC1)[C@@H](C[NH2+]CC(C)C)C(C)C ZINC000052514325 521627620 /nfs/dbraw/zinc/62/76/20/521627620.db2.gz AVWYCVFXWPTTLL-INIZCTEOSA-N 2 2 254.462 3.379 10 0 CGAELP CCC[N@@H+](CC1CC1)[C@@H](C[NH2+]CC(C)C)C(C)C ZINC000052514325 521627625 /nfs/dbraw/zinc/62/76/25/521627625.db2.gz AVWYCVFXWPTTLL-INIZCTEOSA-N 2 2 254.462 3.379 10 0 CGAELP CC1(C)CC[C@@H]([NH2+][C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000163642150 529029143 /nfs/dbraw/zinc/02/91/43/529029143.db2.gz ZFDVRWHFELPTED-QZTJIDSGSA-N 2 2 286.463 3.472 10 0 CGAELP CC1(C)CC[C@@H]([NH2+][C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000163642150 529029146 /nfs/dbraw/zinc/02/91/46/529029146.db2.gz ZFDVRWHFELPTED-QZTJIDSGSA-N 2 2 286.463 3.472 10 0 CGAELP CC1(C)CC[C@H]([NH2+][C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000163642259 529049450 /nfs/dbraw/zinc/04/94/50/529049450.db2.gz ZFDVRWHFELPTED-ROUUACIJSA-N 2 2 286.463 3.472 10 0 CGAELP CC1(C)CC[C@H]([NH2+][C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000163642259 529049453 /nfs/dbraw/zinc/04/94/53/529049453.db2.gz ZFDVRWHFELPTED-ROUUACIJSA-N 2 2 286.463 3.472 10 0 CGAELP CC(C)Oc1cccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000188406036 542247277 /nfs/dbraw/zinc/24/72/77/542247277.db2.gz ASQVYVMZIXRHCY-QGZVFWFLSA-N 2 2 299.418 3.335 10 0 CGAELP CC(C)Oc1cccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000188406036 542247279 /nfs/dbraw/zinc/24/72/79/542247279.db2.gz ASQVYVMZIXRHCY-QGZVFWFLSA-N 2 2 299.418 3.335 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)CCc1ccco1 ZINC000037167300 344948033 /nfs/dbraw/zinc/94/80/33/344948033.db2.gz RUCZBBPVHGUGBN-HUUCEWRRSA-N 2 2 266.429 3.167 10 0 CGAELP [NH3+]CC[N@@H+]1CCCCC[C@@H]1c1ccc2ccccc2n1 ZINC000616623799 348849792 /nfs/dbraw/zinc/84/97/92/348849792.db2.gz HQHRUBGXYPAROT-QGZVFWFLSA-N 2 2 269.392 3.111 10 0 CGAELP [NH3+]CC[N@H+]1CCCCC[C@@H]1c1ccc2ccccc2n1 ZINC000616623799 348849794 /nfs/dbraw/zinc/84/97/94/348849794.db2.gz HQHRUBGXYPAROT-QGZVFWFLSA-N 2 2 269.392 3.111 10 0 CGAELP c1[nH]cc([C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000616655288 348858110 /nfs/dbraw/zinc/85/81/10/348858110.db2.gz TTXOTRKFCHNDPN-OAHLLOKOSA-N 2 2 255.365 3.179 10 0 CGAELP c1[nH]cc([C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000616655288 348858112 /nfs/dbraw/zinc/85/81/12/348858112.db2.gz TTXOTRKFCHNDPN-OAHLLOKOSA-N 2 2 255.365 3.179 10 0 CGAELP Fc1ccccc1C1=CC[N@H+](CCC[NH+]2CCCC2)CC1 ZINC000127546931 138389725 /nfs/dbraw/zinc/38/97/25/138389725.db2.gz OGQOMLZACLPJBN-UHFFFAOYSA-N 2 2 288.410 3.401 10 0 CGAELP Fc1ccccc1C1=CC[N@@H+](CCC[NH+]2CCCC2)CC1 ZINC000127546931 138389726 /nfs/dbraw/zinc/38/97/26/138389726.db2.gz OGQOMLZACLPJBN-UHFFFAOYSA-N 2 2 288.410 3.401 10 0 CGAELP CCSCC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180649932 189267996 /nfs/dbraw/zinc/26/79/96/189267996.db2.gz YLQWRPYGZUNXGL-ZDUSSCGKSA-N 2 2 275.421 3.276 10 0 CGAELP Fc1ccc2[nH]c(CCNc3cc[nH+]cc3Cl)[nH+]c2c1 ZINC000301738475 201168024 /nfs/dbraw/zinc/16/80/24/201168024.db2.gz WJAORHWERHAUGZ-UHFFFAOYSA-N 2 2 290.729 3.405 10 0 CGAELP CCOc1cccc([C@H](C[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000022853998 368812933 /nfs/dbraw/zinc/81/29/33/368812933.db2.gz MQWRUDBBRYHZEA-VBQJREDUSA-N 2 2 276.424 3.063 10 0 CGAELP CCOc1cccc([C@H](C[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000022853998 368812936 /nfs/dbraw/zinc/81/29/36/368812936.db2.gz MQWRUDBBRYHZEA-VBQJREDUSA-N 2 2 276.424 3.063 10 0 CGAELP CSc1ccc([C@H](C[NH3+])[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000034938060 368980333 /nfs/dbraw/zinc/98/03/33/368980333.db2.gz BGQBYQOTZWLJKW-XEZPLFJOSA-N 2 2 278.465 3.386 10 0 CGAELP Cc1ccc(C)c(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000152299015 542106266 /nfs/dbraw/zinc/10/62/66/542106266.db2.gz LAOMATIZQGKGOY-KRWDZBQOSA-N 2 2 269.392 3.165 10 0 CGAELP Cc1ccc(C)c(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000152299015 542106269 /nfs/dbraw/zinc/10/62/69/542106269.db2.gz LAOMATIZQGKGOY-KRWDZBQOSA-N 2 2 269.392 3.165 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000246264837 376999049 /nfs/dbraw/zinc/99/90/49/376999049.db2.gz PCHVWNBXECCQDG-HUUCEWRRSA-N 2 2 259.397 3.191 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000246264837 376999054 /nfs/dbraw/zinc/99/90/54/376999054.db2.gz PCHVWNBXECCQDG-HUUCEWRRSA-N 2 2 259.397 3.191 10 0 CGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(F)c(F)cc3F)CC[C@H]21 ZINC000246823244 377098051 /nfs/dbraw/zinc/09/80/51/377098051.db2.gz RKMWJKWFUZEFSG-BDJLRTHQSA-N 2 2 298.352 3.020 10 0 CGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(F)c(F)cc3F)CC[C@H]21 ZINC000246823244 377098055 /nfs/dbraw/zinc/09/80/55/377098055.db2.gz RKMWJKWFUZEFSG-BDJLRTHQSA-N 2 2 298.352 3.020 10 0 CGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(F)c(F)cc3F)CC[C@H]21 ZINC000246823244 377098061 /nfs/dbraw/zinc/09/80/61/377098061.db2.gz RKMWJKWFUZEFSG-BDJLRTHQSA-N 2 2 298.352 3.020 10 0 CGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(F)c(F)cc3F)CC[C@H]21 ZINC000246823244 377098066 /nfs/dbraw/zinc/09/80/66/377098066.db2.gz RKMWJKWFUZEFSG-BDJLRTHQSA-N 2 2 298.352 3.020 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+]C2CC(c3ccc(Cl)cc3)C2)C1 ZINC000389543954 379900519 /nfs/dbraw/zinc/90/05/19/379900519.db2.gz LJDZVXRUDGUTIO-OGVSOVDVSA-N 2 2 278.827 3.270 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+]C2CC(c3ccc(Cl)cc3)C2)C1 ZINC000389543954 379900524 /nfs/dbraw/zinc/90/05/24/379900524.db2.gz LJDZVXRUDGUTIO-OGVSOVDVSA-N 2 2 278.827 3.270 10 0 CGAELP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3cccnc3)CC2)o1 ZINC000158193379 392558483 /nfs/dbraw/zinc/55/84/83/392558483.db2.gz FNBVLGYYTIQGHS-OAHLLOKOSA-N 2 2 299.418 3.298 10 0 CGAELP Cc1cc2[nH+]cn(Cc3cc(C[NH3+])ccc3F)c2cc1C ZINC000019282088 170772128 /nfs/dbraw/zinc/77/21/28/170772128.db2.gz YMIQTSQGUNTHLY-UHFFFAOYSA-N 2 2 283.350 3.299 10 0 CGAELP [NH3+]C[C@H](c1ccccc1F)[NH+]1CCCCCCC1 ZINC000020265386 171122840 /nfs/dbraw/zinc/12/28/40/171122840.db2.gz UYGZYTYBFOMHSS-OAHLLOKOSA-N 2 2 250.361 3.092 10 0 CGAELP C[NH+](C)C[C@H]([NH2+]CC1CCCCC1)c1ccccc1 ZINC000022153042 171360025 /nfs/dbraw/zinc/36/00/25/171360025.db2.gz NRVSMQUELXGUTD-KRWDZBQOSA-N 2 2 260.425 3.459 10 0 CGAELP C[C@@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1ccc(OC(F)F)cc1 ZINC000022213850 171374799 /nfs/dbraw/zinc/37/47/99/171374799.db2.gz OHMDMONEWHZNTG-RISCZKNCSA-N 2 2 284.350 3.162 10 0 CGAELP C[C@@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1ccc(OC(F)F)cc1 ZINC000022213850 171374800 /nfs/dbraw/zinc/37/48/00/171374800.db2.gz OHMDMONEWHZNTG-RISCZKNCSA-N 2 2 284.350 3.162 10 0 CGAELP C[C@@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000022223388 171379121 /nfs/dbraw/zinc/37/91/21/171379121.db2.gz HDZPMIDOIIXGMA-RISCZKNCSA-N 2 2 252.789 3.214 10 0 CGAELP C[C@@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000022223388 171379122 /nfs/dbraw/zinc/37/91/22/171379122.db2.gz HDZPMIDOIIXGMA-RISCZKNCSA-N 2 2 252.789 3.214 10 0 CGAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1cccc(OCC)c1 ZINC000038970646 174160499 /nfs/dbraw/zinc/16/04/99/174160499.db2.gz DGIWKIKJILCKAU-INIZCTEOSA-N 2 2 264.413 3.207 10 0 CGAELP CC[N@H+]([C@@H](C)c1cc2ccccc2o1)[C@@H]1CC[NH2+]C1 ZINC000071312229 176119041 /nfs/dbraw/zinc/11/90/41/176119041.db2.gz FPLUPIIDSFRBDD-GXTWGEPZSA-N 2 2 258.365 3.178 10 0 CGAELP CC[N@@H+]([C@@H](C)c1cc2ccccc2o1)[C@@H]1CC[NH2+]C1 ZINC000071312229 176119043 /nfs/dbraw/zinc/11/90/43/176119043.db2.gz FPLUPIIDSFRBDD-GXTWGEPZSA-N 2 2 258.365 3.178 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC000040502050 276167667 /nfs/dbraw/zinc/16/76/67/276167667.db2.gz PLSGFCIDXCMJBF-MRXNPFEDSA-N 2 2 260.425 3.186 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC000040502050 276167668 /nfs/dbraw/zinc/16/76/68/276167668.db2.gz PLSGFCIDXCMJBF-MRXNPFEDSA-N 2 2 260.425 3.186 10 0 CGAELP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000396566865 288013933 /nfs/dbraw/zinc/01/39/33/288013933.db2.gz MHWPXCKTWHWYSO-GDLCADMTSA-N 2 2 280.412 3.093 10 0 CGAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1cccc(Br)c1 ZINC000396636411 288014690 /nfs/dbraw/zinc/01/46/90/288014690.db2.gz NRVNHCUWBFBPGG-COPLHBTASA-N 2 2 297.240 3.240 10 0 CGAELP Cc1cc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@H]2C)c(C)s1 ZINC000396666851 288015097 /nfs/dbraw/zinc/01/50/97/288015097.db2.gz PDJHXAPMSARHFX-MJVIPROJSA-N 2 2 252.427 3.156 10 0 CGAELP Cc1cc(N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)nc(C)[nH+]1 ZINC000329312091 278735346 /nfs/dbraw/zinc/73/53/46/278735346.db2.gz RHPUUTJEWJPGOI-ZDUSSCGKSA-N 2 2 299.422 3.014 10 0 CGAELP CCCC1CC[NH+]([C@]2(C[NH3+])CCC[C@H](C)C2)CC1 ZINC000050893301 519903413 /nfs/dbraw/zinc/90/34/13/519903413.db2.gz CIVUOKMTVOZGDE-GOEBONIOSA-N 2 2 252.446 3.406 10 0 CGAELP CCC[C@H](c1cccs1)[N@@H+]1CC[C@H]([NH2+]CC)C1 ZINC000049545605 521197377 /nfs/dbraw/zinc/19/73/77/521197377.db2.gz OZAOMIIYLISMDQ-QWHCGFSZSA-N 2 2 252.427 3.273 10 0 CGAELP CCC[C@H](c1cccs1)[N@H+]1CC[C@H]([NH2+]CC)C1 ZINC000049545605 521197384 /nfs/dbraw/zinc/19/73/84/521197384.db2.gz OZAOMIIYLISMDQ-QWHCGFSZSA-N 2 2 252.427 3.273 10 0 CGAELP C[NH+](C)c1ccc(NCC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000052205573 522237069 /nfs/dbraw/zinc/23/70/69/522237069.db2.gz XDOGLWBNMLZVNA-MRXNPFEDSA-N 2 2 261.413 3.039 10 0 CGAELP C[NH+](C)c1ccc(NCC[C@H]2CCCC[N@H+]2C)cc1 ZINC000052205573 522237081 /nfs/dbraw/zinc/23/70/81/522237081.db2.gz XDOGLWBNMLZVNA-MRXNPFEDSA-N 2 2 261.413 3.039 10 0 CGAELP CC[C@H]([NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccc(OC)cc1 ZINC000157729036 522759853 /nfs/dbraw/zinc/75/98/53/522759853.db2.gz RBTJBNGCYBMVEG-WBAXXEDZSA-N 2 2 290.451 3.465 10 0 CGAELP CC[C@H]([NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C)c1ccc(OC)cc1 ZINC000157729036 522759862 /nfs/dbraw/zinc/75/98/62/522759862.db2.gz RBTJBNGCYBMVEG-WBAXXEDZSA-N 2 2 290.451 3.465 10 0 CGAELP Cc1cccc(NCCc2[nH]c3ccc(F)cc3[nH+]2)[nH+]1 ZINC000157852098 524677544 /nfs/dbraw/zinc/67/75/44/524677544.db2.gz SLZSBYVYEVDVIK-UHFFFAOYSA-N 2 2 270.311 3.060 10 0 CGAELP COCCC[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000178125342 373746627 /nfs/dbraw/zinc/74/66/27/373746627.db2.gz TUYYFBBNEFUEEY-HUUCEWRRSA-N 2 2 287.407 3.338 10 0 CGAELP CCc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178318273 373767035 /nfs/dbraw/zinc/76/70/35/373767035.db2.gz IHVCCIMSTMSZGW-SFHVURJKSA-N 2 2 283.419 3.419 10 0 CGAELP CCc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178318273 373767042 /nfs/dbraw/zinc/76/70/42/373767042.db2.gz IHVCCIMSTMSZGW-SFHVURJKSA-N 2 2 283.419 3.419 10 0 CGAELP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193608112 375898112 /nfs/dbraw/zinc/89/81/12/375898112.db2.gz QDAJOGSFZLAZON-RTXFEEFZSA-N 2 2 282.790 3.034 10 0 CGAELP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193608112 375898117 /nfs/dbraw/zinc/89/81/17/375898117.db2.gz QDAJOGSFZLAZON-RTXFEEFZSA-N 2 2 282.790 3.034 10 0 CGAELP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193608112 375898124 /nfs/dbraw/zinc/89/81/24/375898124.db2.gz QDAJOGSFZLAZON-RTXFEEFZSA-N 2 2 282.790 3.034 10 0 CGAELP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193608112 375898129 /nfs/dbraw/zinc/89/81/29/375898129.db2.gz QDAJOGSFZLAZON-RTXFEEFZSA-N 2 2 282.790 3.034 10 0 CGAELP C[C@H]1CC[N@H+](CCC(=O)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000245561898 376855860 /nfs/dbraw/zinc/85/58/60/376855860.db2.gz LAYIMOHHKRCOAG-DOTOQJQBSA-N 2 2 297.402 3.039 10 0 CGAELP C[C@H]1CC[N@@H+](CCC(=O)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000245561898 376855863 /nfs/dbraw/zinc/85/58/63/376855863.db2.gz LAYIMOHHKRCOAG-DOTOQJQBSA-N 2 2 297.402 3.039 10 0 CGAELP C[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000245712513 376887080 /nfs/dbraw/zinc/88/70/80/376887080.db2.gz SXXHBTXAQZNOOR-GXTWGEPZSA-N 2 2 290.798 3.015 10 0 CGAELP C[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000245712513 376887089 /nfs/dbraw/zinc/88/70/89/376887089.db2.gz SXXHBTXAQZNOOR-GXTWGEPZSA-N 2 2 290.798 3.015 10 0 CGAELP CCOc1ccccc1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245723317 376889226 /nfs/dbraw/zinc/88/92/26/376889226.db2.gz UYSBXJLXHLOQHZ-RDJZCZTQSA-N 2 2 299.418 3.365 10 0 CGAELP CCOc1ccccc1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245723317 376889234 /nfs/dbraw/zinc/88/92/34/376889234.db2.gz UYSBXJLXHLOQHZ-RDJZCZTQSA-N 2 2 299.418 3.365 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)[C@@H](C)c2ccc(OC)cc2)C1 ZINC000246923525 377119898 /nfs/dbraw/zinc/11/98/98/377119898.db2.gz GVIBFLOLQRAOLS-INMHGKMJSA-N 2 2 290.451 3.261 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)[C@@H](C)c2ccc(OC)cc2)C1 ZINC000246923525 377119902 /nfs/dbraw/zinc/11/99/02/377119902.db2.gz GVIBFLOLQRAOLS-INMHGKMJSA-N 2 2 290.451 3.261 10 0 CGAELP Clc1cccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000177101996 542190479 /nfs/dbraw/zinc/19/04/79/542190479.db2.gz DRUVNCMMCMIUHU-HNNXBMFYSA-N 2 2 275.783 3.201 10 0 CGAELP Clc1cccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000177101996 542190485 /nfs/dbraw/zinc/19/04/85/542190485.db2.gz DRUVNCMMCMIUHU-HNNXBMFYSA-N 2 2 275.783 3.201 10 0 CGAELP CCCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195252084 392964502 /nfs/dbraw/zinc/96/45/02/392964502.db2.gz QECPXZBZMMMROQ-AWEZNQCLSA-N 2 2 281.469 3.005 10 0 CGAELP CCCC[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195252084 392964512 /nfs/dbraw/zinc/96/45/12/392964512.db2.gz QECPXZBZMMMROQ-AWEZNQCLSA-N 2 2 281.469 3.005 10 0 CGAELP CCCC[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195252084 392964519 /nfs/dbraw/zinc/96/45/19/392964519.db2.gz QECPXZBZMMMROQ-AWEZNQCLSA-N 2 2 281.469 3.005 10 0 CGAELP CCCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195252084 392964526 /nfs/dbraw/zinc/96/45/26/392964526.db2.gz QECPXZBZMMMROQ-AWEZNQCLSA-N 2 2 281.469 3.005 10 0 CGAELP CC(C)[C@@H](C)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000090050867 165225166 /nfs/dbraw/zinc/22/51/66/165225166.db2.gz MTHMWECQUAFXLW-CYBMUJFWSA-N 2 2 259.397 3.140 10 0 CGAELP C[NH2+][C@H]1CCC[N@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000094901292 165394858 /nfs/dbraw/zinc/39/48/58/165394858.db2.gz KCPXPKFLUCLFPX-KRWDZBQOSA-N 2 2 260.425 3.069 10 0 CGAELP C[NH2+][C@H]1CCC[N@@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000094901292 165394863 /nfs/dbraw/zinc/39/48/63/165394863.db2.gz KCPXPKFLUCLFPX-KRWDZBQOSA-N 2 2 260.425 3.069 10 0 CGAELP Cc1cccc(C[N@@H+](C)[C@@H](C[NH3+])c2ccccc2C)c1 ZINC000020225432 171088772 /nfs/dbraw/zinc/08/87/72/171088772.db2.gz NFAHDDZVRVXLCS-SFHVURJKSA-N 2 2 268.404 3.435 10 0 CGAELP Cc1cccc(C[N@H+](C)[C@@H](C[NH3+])c2ccccc2C)c1 ZINC000020225432 171088774 /nfs/dbraw/zinc/08/87/74/171088774.db2.gz NFAHDDZVRVXLCS-SFHVURJKSA-N 2 2 268.404 3.435 10 0 CGAELP COc1ccc(C[N@H+](C)[C@@H](C[NH3+])c2ccccc2C)cc1 ZINC000020225452 171089083 /nfs/dbraw/zinc/08/90/83/171089083.db2.gz NPXQMKVJJZSVDQ-SFHVURJKSA-N 2 2 284.403 3.135 10 0 CGAELP COc1ccc(C[N@@H+](C)[C@@H](C[NH3+])c2ccccc2C)cc1 ZINC000020225452 171089084 /nfs/dbraw/zinc/08/90/84/171089084.db2.gz NPXQMKVJJZSVDQ-SFHVURJKSA-N 2 2 284.403 3.135 10 0 CGAELP CC1CC[NH+]([C@]2(C[NH3+])C[C@@H](C)CC(C)(C)C2)CC1 ZINC000021513795 171311534 /nfs/dbraw/zinc/31/15/34/171311534.db2.gz BQOZWJBHZMJZLL-GOEBONIOSA-N 2 2 252.446 3.262 10 0 CGAELP CC[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[NH2+]CC1 ZINC000022045719 171350457 /nfs/dbraw/zinc/35/04/57/171350457.db2.gz GDYCWUTUSASBBI-CQSZACIVSA-N 2 2 252.789 3.086 10 0 CGAELP CC[C@H](c1cccc(Cl)c1)[N@H+]1CCC[NH2+]CC1 ZINC000022045719 171350459 /nfs/dbraw/zinc/35/04/59/171350459.db2.gz GDYCWUTUSASBBI-CQSZACIVSA-N 2 2 252.789 3.086 10 0 CGAELP CC[NH+](CC)[C@H](C[NH2+]C[C@H]1CCCCO1)c1ccccc1 ZINC000035151279 172014098 /nfs/dbraw/zinc/01/40/98/172014098.db2.gz SGUJDJXNKQATIV-QZTJIDSGSA-N 2 2 290.451 3.228 10 0 CGAELP CC[C@@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccc(C)c(C)c2)C1 ZINC000037180162 173013046 /nfs/dbraw/zinc/01/30/46/173013046.db2.gz RZXXDJXPQMQYDR-WBVHZDCISA-N 2 2 260.425 3.425 10 0 CGAELP CC[C@@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccc(C)c(C)c2)C1 ZINC000037180162 173013049 /nfs/dbraw/zinc/01/30/49/173013049.db2.gz RZXXDJXPQMQYDR-WBVHZDCISA-N 2 2 260.425 3.425 10 0 CGAELP [NH3+]C[C@H](c1cccc(Cl)c1)[NH+]1CCCCCC1 ZINC000038808912 174155999 /nfs/dbraw/zinc/15/59/99/174155999.db2.gz CTEZAIZMNVWTRR-CQSZACIVSA-N 2 2 252.789 3.216 10 0 CGAELP Cc1cccc(CCc2[nH]c3cc(C[NH3+])ccc3[nH+]2)c1 ZINC000071597906 176221618 /nfs/dbraw/zinc/22/16/18/176221618.db2.gz GVGPEFUYYRGLEZ-UHFFFAOYSA-N 2 2 265.360 3.115 10 0 CGAELP COc1ccccc1C[C@H](C)[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000037321604 270029176 /nfs/dbraw/zinc/02/91/76/270029176.db2.gz IBLWKAVTRHKCRL-DOTOQJQBSA-N 2 2 292.467 3.192 10 0 CGAELP CC(C)C[C@@H](C)[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671379 270029926 /nfs/dbraw/zinc/02/99/26/270029926.db2.gz SJWPEZKNASDDIZ-AEFFLSMTSA-N 2 2 274.452 3.328 10 0 CGAELP CC(C)C[C@@H](C)[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671379 270029927 /nfs/dbraw/zinc/02/99/27/270029927.db2.gz SJWPEZKNASDDIZ-AEFFLSMTSA-N 2 2 274.452 3.328 10 0 CGAELP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C)CC2 ZINC000246271436 274138400 /nfs/dbraw/zinc/13/84/00/274138400.db2.gz AQZGHQRPNRFNLH-FSPWUOQZSA-N 2 2 288.435 3.001 10 0 CGAELP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C)CC2 ZINC000246271436 274138402 /nfs/dbraw/zinc/13/84/02/274138402.db2.gz AQZGHQRPNRFNLH-FSPWUOQZSA-N 2 2 288.435 3.001 10 0 CGAELP Cc1cccc(N2CCC[C@@H]([NH+]3CCCCCC3)C2)[nH+]1 ZINC000157481723 281226536 /nfs/dbraw/zinc/22/65/36/281226536.db2.gz YKQMGVAVIYDUMD-MRXNPFEDSA-N 2 2 273.424 3.235 10 0 CGAELP CCC[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC000053011296 519922512 /nfs/dbraw/zinc/92/25/12/519922512.db2.gz MTXBERVKZZEOSQ-ZDUSSCGKSA-N 2 2 266.816 3.162 10 0 CGAELP CCC[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC000053011296 519922516 /nfs/dbraw/zinc/92/25/16/519922516.db2.gz MTXBERVKZZEOSQ-ZDUSSCGKSA-N 2 2 266.816 3.162 10 0 CGAELP CCCCC[N@H+](C)[C@H](C[NH3+])c1ccc(F)cc1C ZINC000050578477 520155750 /nfs/dbraw/zinc/15/57/50/520155750.db2.gz WOKOJCGQFLJJJA-OAHLLOKOSA-N 2 2 252.377 3.256 10 0 CGAELP CCCCC[N@@H+](C)[C@H](C[NH3+])c1ccc(F)cc1C ZINC000050578477 520155754 /nfs/dbraw/zinc/15/57/54/520155754.db2.gz WOKOJCGQFLJJJA-OAHLLOKOSA-N 2 2 252.377 3.256 10 0 CGAELP CC[N@H+](Cc1cccs1)[C@H](C)C[NH2+]C(C)(C)C ZINC000052546289 521410795 /nfs/dbraw/zinc/41/07/95/521410795.db2.gz HSQVXQFMYCTOPZ-GFCCVEGCSA-N 2 2 254.443 3.347 10 0 CGAELP CC[N@@H+](Cc1cccs1)[C@H](C)C[NH2+]C(C)(C)C ZINC000052546289 521410798 /nfs/dbraw/zinc/41/07/98/521410798.db2.gz HSQVXQFMYCTOPZ-GFCCVEGCSA-N 2 2 254.443 3.347 10 0 CGAELP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1Cl ZINC000054601710 521953695 /nfs/dbraw/zinc/95/36/95/521953695.db2.gz VVAQZEOOKXQASR-GOOCMWNKSA-N 2 2 278.827 3.445 10 0 CGAELP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1Cl ZINC000054601710 521953705 /nfs/dbraw/zinc/95/37/05/521953705.db2.gz VVAQZEOOKXQASR-GOOCMWNKSA-N 2 2 278.827 3.445 10 0 CGAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[NH+]1CCC(C)(C)CC1 ZINC000061818563 522649552 /nfs/dbraw/zinc/64/95/52/522649552.db2.gz VCCLPTCIKURJJT-HIFRSBDPSA-N 2 2 264.413 3.488 10 0 CGAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[N@@H+](C)[C@@H](C)C(C)C ZINC000050578587 525003537 /nfs/dbraw/zinc/00/35/37/525003537.db2.gz ROZVBSIHZVVWFW-SWLSCSKDSA-N 2 2 252.377 3.110 10 0 CGAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[N@H+](C)[C@@H](C)C(C)C ZINC000050578587 525003545 /nfs/dbraw/zinc/00/35/45/525003545.db2.gz ROZVBSIHZVVWFW-SWLSCSKDSA-N 2 2 252.377 3.110 10 0 CGAELP Cc1cc([C@@H](C[NH3+])[N@@H+](C)CCC(C)C)ccc1F ZINC000050546280 525480260 /nfs/dbraw/zinc/48/02/60/525480260.db2.gz XQMRCICXHKYHEM-OAHLLOKOSA-N 2 2 252.377 3.112 10 0 CGAELP Cc1cc([C@@H](C[NH3+])[N@H+](C)CCC(C)C)ccc1F ZINC000050546280 525480267 /nfs/dbraw/zinc/48/02/67/525480267.db2.gz XQMRCICXHKYHEM-OAHLLOKOSA-N 2 2 252.377 3.112 10 0 CGAELP Cc1[nH]c(C[NH2+]Cc2ccc(C(F)(F)F)cc2)c[nH+]1 ZINC000061626438 526888449 /nfs/dbraw/zinc/88/84/49/526888449.db2.gz DPQPLRRCWSLFGC-UHFFFAOYSA-N 2 2 269.270 3.027 10 0 CGAELP Cc1cc2ccccc2[nH+]c1NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000227649848 623026475 /nfs/dbraw/zinc/02/64/75/623026475.db2.gz SLIBNSNXGPIJFT-OCCSQVGLSA-N 2 2 255.365 3.083 10 0 CGAELP COc1ccc([C@H](C)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000188417639 542248001 /nfs/dbraw/zinc/24/80/01/542248001.db2.gz DLLGCRPMMXLUOD-NVXWUHKLSA-N 2 2 299.418 3.160 10 0 CGAELP C[C@@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2)CC(C)(C)C1 ZINC000044353242 345009415 /nfs/dbraw/zinc/00/94/15/345009415.db2.gz GNFNGBCVPFLZNG-HUUCEWRRSA-N 2 2 263.429 3.468 10 0 CGAELP Cc1cc2ccccc2[nH+]c1N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000063106350 345243447 /nfs/dbraw/zinc/24/34/47/345243447.db2.gz LOEITBUHXNGOEC-HIFRSBDPSA-N 2 2 269.392 3.343 10 0 CGAELP COc1ccc([C@H](C)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000188417639 542248003 /nfs/dbraw/zinc/24/80/03/542248003.db2.gz DLLGCRPMMXLUOD-NVXWUHKLSA-N 2 2 299.418 3.160 10 0 CGAELP Cc1[nH+]c(C)n2c1[C@@H](CCc1cccc(Cl)c1)[NH2+]CC2 ZINC000114154734 345963926 /nfs/dbraw/zinc/96/39/26/345963926.db2.gz LMOMPMRAUMDUNO-OAHLLOKOSA-N 2 2 289.810 3.430 10 0 CGAELP Cc1ncsc1C[N@@H+](C)[C@@H](C)CC[NH2+]C(C)(C)C ZINC000104414163 185992840 /nfs/dbraw/zinc/99/28/40/185992840.db2.gz RELJLVOTCATZQJ-NSHDSACASA-N 2 2 269.458 3.050 10 0 CGAELP Cc1ncsc1C[N@H+](C)[C@@H](C)CC[NH2+]C(C)(C)C ZINC000104414163 185992841 /nfs/dbraw/zinc/99/28/41/185992841.db2.gz RELJLVOTCATZQJ-NSHDSACASA-N 2 2 269.458 3.050 10 0 CGAELP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]4CCCC[C@H]43)cn2)c[nH+]1 ZINC000127642551 138390278 /nfs/dbraw/zinc/39/02/78/138390278.db2.gz VNDOHMZZUJGICF-IAGOWNOFSA-N 2 2 296.418 3.422 10 0 CGAELP c1cn(-c2ccc(C[N@H+]3CCC[C@H]4CCCC[C@H]43)cn2)c[nH+]1 ZINC000127642551 138390280 /nfs/dbraw/zinc/39/02/80/138390280.db2.gz VNDOHMZZUJGICF-IAGOWNOFSA-N 2 2 296.418 3.422 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]Cc1cccc2cccnc21 ZINC000037166569 369074766 /nfs/dbraw/zinc/07/47/66/369074766.db2.gz RCWALNLIKCGYAZ-QGZVFWFLSA-N 2 2 285.435 3.301 10 0 CGAELP CCc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](CC)C2)cc1 ZINC000040502408 369158349 /nfs/dbraw/zinc/15/83/49/369158349.db2.gz CVFMUASYPUGTEP-WMLDXEAASA-N 2 2 260.425 3.384 10 0 CGAELP CCc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](CC)C2)cc1 ZINC000040502408 369158350 /nfs/dbraw/zinc/15/83/50/369158350.db2.gz CVFMUASYPUGTEP-WMLDXEAASA-N 2 2 260.425 3.384 10 0 CGAELP [NH3+]CCCCCc1[nH+]c2ccccc2n1Cc1ccco1 ZINC000053994569 369491837 /nfs/dbraw/zinc/49/18/37/369491837.db2.gz OSXPVZHJILPMIS-UHFFFAOYSA-N 2 2 283.375 3.349 10 0 CGAELP Cc1cccc(N[C@H]2CC[N@H+](CC3CCCC3)C2)[nH+]1 ZINC000132238054 371160803 /nfs/dbraw/zinc/16/08/03/371160803.db2.gz VXXFEYVDFCVNFE-HNNXBMFYSA-N 2 2 259.397 3.066 10 0 CGAELP Cc1cccc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)[nH+]1 ZINC000132238054 371160810 /nfs/dbraw/zinc/16/08/10/371160810.db2.gz VXXFEYVDFCVNFE-HNNXBMFYSA-N 2 2 259.397 3.066 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCCN(c2cc[nH+]cc2Cl)C1 ZINC000176924625 373641019 /nfs/dbraw/zinc/64/10/19/373641019.db2.gz BWTDFPUQZLZTHQ-LBPRGKRZSA-N 2 2 290.798 3.335 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(C)sc2C)C1 ZINC000328289186 374362419 /nfs/dbraw/zinc/36/24/19/374362419.db2.gz UIACBGCHDINOGO-AAEUAGOBSA-N 2 2 252.427 3.110 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(C)sc2C)C1 ZINC000328289186 374362425 /nfs/dbraw/zinc/36/24/25/374362425.db2.gz UIACBGCHDINOGO-AAEUAGOBSA-N 2 2 252.427 3.110 10 0 CGAELP COc1ccc([C@H]2C[C@@H](C)[N@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000183180298 374383013 /nfs/dbraw/zinc/38/30/13/374383013.db2.gz HPARXYTXXYNSKR-WBVHZDCISA-N 2 2 299.418 3.160 10 0 CGAELP COc1ccc([C@H]2C[C@@H](C)[N@@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000183180298 374383016 /nfs/dbraw/zinc/38/30/16/374383016.db2.gz HPARXYTXXYNSKR-WBVHZDCISA-N 2 2 299.418 3.160 10 0 CGAELP C[C@@H](CC1CCC1)[NH2+][C@H](C[NH+](C)C)c1ccccc1 ZINC000128697873 542053878 /nfs/dbraw/zinc/05/38/78/542053878.db2.gz WRGMIFHPIFERPA-WMLDXEAASA-N 2 2 260.425 3.458 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000233485761 376597680 /nfs/dbraw/zinc/59/76/80/376597680.db2.gz DGTMVYBWZSBVKF-KBMXLJTQSA-N 2 2 250.430 3.053 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000233485761 376597690 /nfs/dbraw/zinc/59/76/90/376597690.db2.gz DGTMVYBWZSBVKF-KBMXLJTQSA-N 2 2 250.430 3.053 10 0 CGAELP C[C@H]1CC[N@H+](Cc2cc(F)ccc2F)C[C@H]1n1cc[nH+]c1 ZINC000245720866 376890173 /nfs/dbraw/zinc/89/01/73/376890173.db2.gz UTZIEZKJNQSBTQ-BLLLJJGKSA-N 2 2 291.345 3.244 10 0 CGAELP C[C@H]1CC[N@@H+](Cc2cc(F)ccc2F)C[C@H]1n1cc[nH+]c1 ZINC000245720866 376890178 /nfs/dbraw/zinc/89/01/78/376890178.db2.gz UTZIEZKJNQSBTQ-BLLLJJGKSA-N 2 2 291.345 3.244 10 0 CGAELP CC(C)[N@@H+]1C[C@H]([NH2+][C@H](C)Cc2ccccc2F)[C@@H](C)C1 ZINC000247186244 377174647 /nfs/dbraw/zinc/17/46/47/377174647.db2.gz VMIICBHKMJCQBT-VBQJREDUSA-N 2 2 278.415 3.075 10 0 CGAELP CC(C)[N@H+]1C[C@H]([NH2+][C@H](C)Cc2ccccc2F)[C@@H](C)C1 ZINC000247186244 377174652 /nfs/dbraw/zinc/17/46/52/377174652.db2.gz VMIICBHKMJCQBT-VBQJREDUSA-N 2 2 278.415 3.075 10 0 CGAELP C/C(=C/c1ccccc1)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000588619555 542770070 /nfs/dbraw/zinc/77/00/70/542770070.db2.gz MLTJCUXWLVMBQP-XOQYZJNISA-N 2 2 281.403 3.451 10 0 CGAELP C/C(=C/c1ccccc1)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000588619555 542770074 /nfs/dbraw/zinc/77/00/74/542770074.db2.gz MLTJCUXWLVMBQP-XOQYZJNISA-N 2 2 281.403 3.451 10 0 CGAELP COc1ccccc1/C=C\C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000588549174 542770179 /nfs/dbraw/zinc/77/01/79/542770179.db2.gz GYMUYUVINKZHSA-DANOYGIBSA-N 2 2 297.402 3.070 10 0 CGAELP COc1ccccc1/C=C\C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000588549174 542770182 /nfs/dbraw/zinc/77/01/82/542770182.db2.gz GYMUYUVINKZHSA-DANOYGIBSA-N 2 2 297.402 3.070 10 0 CGAELP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cc(F)ccc1F ZINC000678738556 543552543 /nfs/dbraw/zinc/55/25/43/543552543.db2.gz FIJGPTDOHIJMAB-AAEUAGOBSA-N 2 2 268.351 3.100 10 0 CGAELP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cc(F)ccc1F ZINC000678738556 543552547 /nfs/dbraw/zinc/55/25/47/543552547.db2.gz FIJGPTDOHIJMAB-AAEUAGOBSA-N 2 2 268.351 3.100 10 0 CGAELP COc1cccc([C@@H](C[NH3+])[N@H+](C)CC2CCCCC2)c1 ZINC000020225834 171090100 /nfs/dbraw/zinc/09/01/00/171090100.db2.gz KRLVCGDCMPZPDT-QGZVFWFLSA-N 2 2 276.424 3.207 10 0 CGAELP COc1cccc([C@@H](C[NH3+])[N@@H+](C)CC2CCCCC2)c1 ZINC000020225834 171090101 /nfs/dbraw/zinc/09/01/01/171090101.db2.gz KRLVCGDCMPZPDT-QGZVFWFLSA-N 2 2 276.424 3.207 10 0 CGAELP C[N@H+](CC(C)(C)C)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000020226033 171090559 /nfs/dbraw/zinc/09/05/59/171090559.db2.gz JHUMDIGHVDFUIW-CYBMUJFWSA-N 2 2 254.805 3.318 10 0 CGAELP C[N@@H+](CC(C)(C)C)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000020226033 171090561 /nfs/dbraw/zinc/09/05/61/171090561.db2.gz JHUMDIGHVDFUIW-CYBMUJFWSA-N 2 2 254.805 3.318 10 0 CGAELP CC[NH+](CC)CC[NH2+]CCc1ccc(Cl)cc1Cl ZINC000021508716 171309291 /nfs/dbraw/zinc/30/92/91/171309291.db2.gz FSJMJLVMXNLBHL-UHFFFAOYSA-N 2 2 289.250 3.467 10 0 CGAELP C[C@H]1C[C@@H]1c1ccc([C@@H](C[NH3+])[N@@H+]2CCCC[C@@H]2C)o1 ZINC000022223307 171379081 /nfs/dbraw/zinc/37/90/81/171379081.db2.gz HQHQPJSFLDSFMT-XDQVBPFNSA-N 2 2 262.397 3.277 10 0 CGAELP C[C@H]1C[C@@H]1c1ccc([C@@H](C[NH3+])[N@H+]2CCCC[C@@H]2C)o1 ZINC000022223307 171379082 /nfs/dbraw/zinc/37/90/82/171379082.db2.gz HQHQPJSFLDSFMT-XDQVBPFNSA-N 2 2 262.397 3.277 10 0 CGAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cccc(Br)c1 ZINC000035570169 172265241 /nfs/dbraw/zinc/26/52/41/172265241.db2.gz OLGHWUAQTSPKMJ-GFCCVEGCSA-N 2 2 294.196 3.066 10 0 CGAELP CCC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(C)c(C)c1 ZINC000035586647 172285955 /nfs/dbraw/zinc/28/59/55/172285955.db2.gz LOMIHFBEHQNGOX-HNNXBMFYSA-N 2 2 257.381 3.310 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000126684100 287270755 /nfs/dbraw/zinc/27/07/55/287270755.db2.gz FBBGPXIBKVDTRZ-DLBZAZTESA-N 2 2 294.870 3.373 10 0 CGAELP CCOc1ccccc1[C@H](C[NH3+])[N@H+](C)C[C@@H](C)CC ZINC000037172621 173006492 /nfs/dbraw/zinc/00/64/92/173006492.db2.gz NGDXPJGFHWUMAJ-ZFWWWQNUSA-N 2 2 264.413 3.063 10 0 CGAELP CCOc1ccccc1[C@H](C[NH3+])[N@@H+](C)C[C@@H](C)CC ZINC000037172621 173006495 /nfs/dbraw/zinc/00/64/95/173006495.db2.gz NGDXPJGFHWUMAJ-ZFWWWQNUSA-N 2 2 264.413 3.063 10 0 CGAELP CC[N@H+](Cc1ccc(F)cc1Cl)C1CC[NH2+]CC1 ZINC000037538120 173257380 /nfs/dbraw/zinc/25/73/80/173257380.db2.gz MPWXAUAKQXAFBE-UHFFFAOYSA-N 2 2 270.779 3.053 10 0 CGAELP CC[N@@H+](Cc1ccc(F)cc1Cl)C1CC[NH2+]CC1 ZINC000037538120 173257381 /nfs/dbraw/zinc/25/73/81/173257381.db2.gz MPWXAUAKQXAFBE-UHFFFAOYSA-N 2 2 270.779 3.053 10 0 CGAELP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000039781801 174173804 /nfs/dbraw/zinc/17/38/04/174173804.db2.gz KMYFPZAKQAEMFQ-INIZCTEOSA-N 2 2 260.425 3.168 10 0 CGAELP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000039781801 174173807 /nfs/dbraw/zinc/17/38/07/174173807.db2.gz KMYFPZAKQAEMFQ-INIZCTEOSA-N 2 2 260.425 3.168 10 0 CGAELP CC[C@H](c1ccc(Br)cc1)[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC000071309413 176116837 /nfs/dbraw/zinc/11/68/37/176116837.db2.gz MEOSRQKFCWWEEB-ZIAGYGMSSA-N 2 2 297.240 3.194 10 0 CGAELP CC[C@H](c1ccc(Br)cc1)[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC000071309413 176116838 /nfs/dbraw/zinc/11/68/38/176116838.db2.gz MEOSRQKFCWWEEB-ZIAGYGMSSA-N 2 2 297.240 3.194 10 0 CGAELP CCCCc1ccc(-c2cn(CC[NH3+])c(C)[nH+]2)cc1 ZINC000071582893 176207957 /nfs/dbraw/zinc/20/79/57/176207957.db2.gz NPCHTUURQUEJEW-UHFFFAOYSA-N 2 2 257.381 3.160 10 0 CGAELP CCc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c(C)n2C)cc1 ZINC000657291519 419244184 /nfs/dbraw/zinc/24/41/84/419244184.db2.gz WHSIPYKCPFBOCZ-GFCCVEGCSA-N 2 2 257.381 3.142 10 0 CGAELP FC(F)(F)C1CCC([NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657304626 419246280 /nfs/dbraw/zinc/24/62/80/419246280.db2.gz OSXRYDICGFTABE-UHFFFAOYSA-N 2 2 287.329 3.040 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCc2ccccc21 ZINC000037167132 270028731 /nfs/dbraw/zinc/02/87/31/270028731.db2.gz VTZKDXNBOBPIOO-NVXWUHKLSA-N 2 2 260.425 3.240 10 0 CGAELP CCCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000222697014 270086311 /nfs/dbraw/zinc/08/63/11/270086311.db2.gz WKGKMWOHWFQRLC-YOEHRIQHSA-N 2 2 260.425 3.384 10 0 CGAELP CCCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000222697014 270086312 /nfs/dbraw/zinc/08/63/12/270086312.db2.gz WKGKMWOHWFQRLC-YOEHRIQHSA-N 2 2 260.425 3.384 10 0 CGAELP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000524771218 270114862 /nfs/dbraw/zinc/11/48/62/270114862.db2.gz ZEJZZEBTNBINCB-ILXRZTDVSA-N 2 2 252.446 3.133 10 0 CGAELP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000524771218 270114863 /nfs/dbraw/zinc/11/48/63/270114863.db2.gz ZEJZZEBTNBINCB-ILXRZTDVSA-N 2 2 252.446 3.133 10 0 CGAELP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCCc2ccccc21 ZINC000300410689 277064500 /nfs/dbraw/zinc/06/45/00/277064500.db2.gz JNVILYYJRGDACU-WBVHZDCISA-N 2 2 258.409 3.138 10 0 CGAELP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCCc2ccccc21 ZINC000300410689 277064502 /nfs/dbraw/zinc/06/45/02/277064502.db2.gz JNVILYYJRGDACU-WBVHZDCISA-N 2 2 258.409 3.138 10 0 CGAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000049195775 519793895 /nfs/dbraw/zinc/79/38/95/519793895.db2.gz UAFVZHVEOQUYNB-IUODEOHRSA-N 2 2 252.377 3.063 10 0 CGAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000049195779 519814778 /nfs/dbraw/zinc/81/47/78/519814778.db2.gz UAFVZHVEOQUYNB-DOMZBBRYSA-N 2 2 252.377 3.063 10 0 CGAELP CC[C@@H]([NH2+][C@H]1CCC[N@H+](CC)C1)c1cccc(F)c1 ZINC000166538736 529206984 /nfs/dbraw/zinc/20/69/84/529206984.db2.gz MTHLYVKGJLETPC-JKSUJKDBSA-N 2 2 264.388 3.351 10 0 CGAELP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)c1cccc(F)c1 ZINC000166538736 529206985 /nfs/dbraw/zinc/20/69/85/529206985.db2.gz MTHLYVKGJLETPC-JKSUJKDBSA-N 2 2 264.388 3.351 10 0 CGAELP CC1(C)CCC[C@H]1[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000094321870 535309300 /nfs/dbraw/zinc/30/93/00/535309300.db2.gz YYFDUCBVSBPQNA-ZWKOTPCHSA-N 2 2 286.463 3.472 10 0 CGAELP CC1(C)CCC[C@H]1[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000094321870 535309304 /nfs/dbraw/zinc/30/93/04/535309304.db2.gz YYFDUCBVSBPQNA-ZWKOTPCHSA-N 2 2 286.463 3.472 10 0 CGAELP Cc1cc(C)cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000188410286 542248020 /nfs/dbraw/zinc/24/80/20/542248020.db2.gz AQENNNPUVQXDHZ-KRWDZBQOSA-N 2 2 269.392 3.165 10 0 CGAELP Cc1cc(C)cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000188410286 542248022 /nfs/dbraw/zinc/24/80/22/542248022.db2.gz AQENNNPUVQXDHZ-KRWDZBQOSA-N 2 2 269.392 3.165 10 0 CGAELP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)[nH]1 ZINC000616611493 348845853 /nfs/dbraw/zinc/84/58/53/348845853.db2.gz RNXPFGKAUJQUKT-OAHLLOKOSA-N 2 2 255.365 3.179 10 0 CGAELP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)[nH]1 ZINC000616611493 348845856 /nfs/dbraw/zinc/84/58/56/348845856.db2.gz RNXPFGKAUJQUKT-OAHLLOKOSA-N 2 2 255.365 3.179 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000122930259 187060236 /nfs/dbraw/zinc/06/02/36/187060236.db2.gz SCZSEJXOSPQTTP-MRXNPFEDSA-N 2 2 299.418 3.291 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000122930259 187060237 /nfs/dbraw/zinc/06/02/37/187060237.db2.gz SCZSEJXOSPQTTP-MRXNPFEDSA-N 2 2 299.418 3.291 10 0 CGAELP Cc1ccc([C@H]2CCCC[N@@H+]2CCCn2cc[nH+]c2)o1 ZINC000182795163 189335304 /nfs/dbraw/zinc/33/53/04/189335304.db2.gz PMMOULMBCWWQMB-OAHLLOKOSA-N 2 2 273.380 3.402 10 0 CGAELP Cc1ccc([C@H]2CCCC[N@H+]2CCCn2cc[nH+]c2)o1 ZINC000182795163 189335305 /nfs/dbraw/zinc/33/53/05/189335305.db2.gz PMMOULMBCWWQMB-OAHLLOKOSA-N 2 2 273.380 3.402 10 0 CGAELP c1ccc2[nH+]c(N[C@@H]3CC[N@@H+](CC4CCCC4)C3)[nH]c2c1 ZINC000301886455 201248279 /nfs/dbraw/zinc/24/82/79/201248279.db2.gz PBLSWWLWAHWJHU-CQSZACIVSA-N 2 2 284.407 3.239 10 0 CGAELP c1ccc2[nH+]c(N[C@@H]3CC[N@H+](CC4CCCC4)C3)[nH]c2c1 ZINC000301886455 201248282 /nfs/dbraw/zinc/24/82/82/201248282.db2.gz PBLSWWLWAHWJHU-CQSZACIVSA-N 2 2 284.407 3.239 10 0 CGAELP CCOc1ccccc1[C@H](C[NH3+])[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000022853963 368813014 /nfs/dbraw/zinc/81/30/14/368813014.db2.gz LGZBVYDOPFHOQZ-LZWOXQAQSA-N 2 2 276.424 3.348 10 0 CGAELP CCOc1ccccc1[C@H](C[NH3+])[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000022853963 368813017 /nfs/dbraw/zinc/81/30/17/368813017.db2.gz LGZBVYDOPFHOQZ-LZWOXQAQSA-N 2 2 276.424 3.348 10 0 CGAELP C[C@H](c1ccc(-c2ccc(N)[nH+]c2)cc1)[NH+]1CCCC1 ZINC000032573331 368935591 /nfs/dbraw/zinc/93/55/91/368935591.db2.gz KAUMNYBQMXRVJW-CYBMUJFWSA-N 2 2 267.376 3.488 10 0 CGAELP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1cccc(Br)c1 ZINC000054764161 369506349 /nfs/dbraw/zinc/50/63/49/369506349.db2.gz HRGOSHSIGSPJTR-SECBINFHSA-N 2 2 280.169 3.023 10 0 CGAELP COc1ccc([C@@H](C[NH2+]CC=C(C)C)[NH+]2CCCC2)cc1 ZINC000237205583 189868585 /nfs/dbraw/zinc/86/85/85/189868585.db2.gz RYCVLXPKEWIXDI-GOSISDBHSA-N 2 2 288.435 3.388 10 0 CGAELP C[C@@H]([NH2+]CCC[NH3+])c1c(Cl)ccc(F)c1Cl ZINC000037713357 541865335 /nfs/dbraw/zinc/86/53/35/541865335.db2.gz HAZDQHLRDYYJOX-SSDOTTSWSA-N 2 2 265.159 3.132 10 0 CGAELP C[C@H](C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)Cn1cc[nH+]c1 ZINC000174318291 373291484 /nfs/dbraw/zinc/29/14/84/373291484.db2.gz UDMCZUPKYMSBNB-KFWWJZLASA-N 2 2 263.429 3.324 10 0 CGAELP CCc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178318258 373767064 /nfs/dbraw/zinc/76/70/64/373767064.db2.gz IHVCCIMSTMSZGW-GOSISDBHSA-N 2 2 283.419 3.419 10 0 CGAELP CCc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178318258 373767073 /nfs/dbraw/zinc/76/70/73/373767073.db2.gz IHVCCIMSTMSZGW-GOSISDBHSA-N 2 2 283.419 3.419 10 0 CGAELP Cc1cc2ccccc2[nH+]c1N[C@H](C)CCCC[NH3+] ZINC000311693152 374253118 /nfs/dbraw/zinc/25/31/18/374253118.db2.gz KRQDKIBLWCUDEB-CYBMUJFWSA-N 2 2 257.381 3.473 10 0 CGAELP Cc1cccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1C ZINC000188402056 375210320 /nfs/dbraw/zinc/21/03/20/375210320.db2.gz ZEEYELFGDJWDJI-KRWDZBQOSA-N 2 2 269.392 3.165 10 0 CGAELP Cc1cccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1C ZINC000188402056 375210321 /nfs/dbraw/zinc/21/03/21/375210321.db2.gz ZEEYELFGDJWDJI-KRWDZBQOSA-N 2 2 269.392 3.165 10 0 CGAELP [NH3+]C[C@@H]([NH2+]Cc1cccc(Cl)c1)c1ccccc1 ZINC000225864830 376331014 /nfs/dbraw/zinc/33/10/14/376331014.db2.gz AOOPNUYREKQBOB-OAHLLOKOSA-N 2 2 260.768 3.130 10 0 CGAELP c1cn(-c2ccc(C[N@@H+]3CCO[C@@H]4CCCC[C@H]43)cc2)c[nH+]1 ZINC000245202434 376801574 /nfs/dbraw/zinc/80/15/74/376801574.db2.gz ZAILOEDDNDXNST-QZTJIDSGSA-N 2 2 297.402 3.016 10 0 CGAELP c1cn(-c2ccc(C[N@H+]3CCO[C@@H]4CCCC[C@H]43)cc2)c[nH+]1 ZINC000245202434 376801582 /nfs/dbraw/zinc/80/15/82/376801582.db2.gz ZAILOEDDNDXNST-QZTJIDSGSA-N 2 2 297.402 3.016 10 0 CGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(F)c(F)c(F)c3)CC[C@H]21 ZINC000246445335 377029974 /nfs/dbraw/zinc/02/99/74/377029974.db2.gz NMZWVZBITQIURE-IUODEOHRSA-N 2 2 298.352 3.020 10 0 CGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(F)c(F)c(F)c3)CC[C@H]21 ZINC000246445335 377029981 /nfs/dbraw/zinc/02/99/81/377029981.db2.gz NMZWVZBITQIURE-IUODEOHRSA-N 2 2 298.352 3.020 10 0 CGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(F)c(F)c(F)c3)CC[C@H]21 ZINC000246445335 377029988 /nfs/dbraw/zinc/02/99/88/377029988.db2.gz NMZWVZBITQIURE-IUODEOHRSA-N 2 2 298.352 3.020 10 0 CGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(F)c(F)c(F)c3)CC[C@H]21 ZINC000246445335 377029995 /nfs/dbraw/zinc/02/99/95/377029995.db2.gz NMZWVZBITQIURE-IUODEOHRSA-N 2 2 298.352 3.020 10 0 CGAELP COc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000246825731 377098090 /nfs/dbraw/zinc/09/80/90/377098090.db2.gz AFCVTYGGBJFUDY-JKIFEVAISA-N 2 2 276.424 3.075 10 0 CGAELP COc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000246825731 377098099 /nfs/dbraw/zinc/09/80/99/377098099.db2.gz AFCVTYGGBJFUDY-JKIFEVAISA-N 2 2 276.424 3.075 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](C)c1ccccc1 ZINC000247056527 377150646 /nfs/dbraw/zinc/15/06/46/377150646.db2.gz NVBANZWJEDQYRC-MAUKXSAKSA-N 2 2 283.419 3.460 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](C)c1ccccc1 ZINC000247056527 377150652 /nfs/dbraw/zinc/15/06/52/377150652.db2.gz NVBANZWJEDQYRC-MAUKXSAKSA-N 2 2 283.419 3.460 10 0 CGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccco1 ZINC000248054784 377264719 /nfs/dbraw/zinc/26/47/19/377264719.db2.gz XEXDJDPGNYJVSM-HLLBOEOZSA-N 2 2 299.418 3.236 10 0 CGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccco1 ZINC000248054784 377264728 /nfs/dbraw/zinc/26/47/28/377264728.db2.gz XEXDJDPGNYJVSM-HLLBOEOZSA-N 2 2 299.418 3.236 10 0 CGAELP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(C)(C)C ZINC000248183733 377277449 /nfs/dbraw/zinc/27/74/49/377277449.db2.gz WYIBOLYAQQNSTH-BFYDXBDKSA-N 2 2 289.467 3.316 10 0 CGAELP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(C)(C)C ZINC000248183733 377277454 /nfs/dbraw/zinc/27/74/54/377277454.db2.gz WYIBOLYAQQNSTH-BFYDXBDKSA-N 2 2 289.467 3.316 10 0 CGAELP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000313248536 249090282 /nfs/dbraw/zinc/09/02/82/249090282.db2.gz BRQVCSPNJALQID-VNQPRFMTSA-N 2 2 263.429 3.013 10 0 CGAELP C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000192972765 542270312 /nfs/dbraw/zinc/27/03/12/542270312.db2.gz MLTJCUXWLVMBQP-FXFXYLOPSA-N 2 2 281.403 3.451 10 0 CGAELP C/C(=C\c1ccccc1)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000192972765 542270314 /nfs/dbraw/zinc/27/03/14/542270314.db2.gz MLTJCUXWLVMBQP-FXFXYLOPSA-N 2 2 281.403 3.451 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+]C2CC(c3cccc(Cl)c3)C2)C1 ZINC000389591887 379900706 /nfs/dbraw/zinc/90/07/06/379900706.db2.gz ZYYKAWYFQGODAJ-SIWZUTFBSA-N 2 2 278.827 3.270 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+]C2CC(c3cccc(Cl)c3)C2)C1 ZINC000389591887 379900710 /nfs/dbraw/zinc/90/07/10/379900710.db2.gz ZYYKAWYFQGODAJ-SIWZUTFBSA-N 2 2 278.827 3.270 10 0 CGAELP C(=C\c1ccccc1)\C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000255102467 542353272 /nfs/dbraw/zinc/35/32/72/542353272.db2.gz FDNISPIATCKVKM-LYLYKKCESA-N 2 2 267.376 3.061 10 0 CGAELP C(=C\c1ccccc1)\C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000255102467 542353275 /nfs/dbraw/zinc/35/32/75/542353275.db2.gz FDNISPIATCKVKM-LYLYKKCESA-N 2 2 267.376 3.061 10 0 CGAELP CC[C@H]([NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C)c1ccccc1 ZINC000246208294 393054115 /nfs/dbraw/zinc/05/41/15/393054115.db2.gz JYURYJFCDCSJSE-HYVNUMGLSA-N 2 2 260.425 3.456 10 0 CGAELP CC[C@H]([NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C)c1ccccc1 ZINC000246208294 393054119 /nfs/dbraw/zinc/05/41/19/393054119.db2.gz JYURYJFCDCSJSE-HYVNUMGLSA-N 2 2 260.425 3.456 10 0 CGAELP COc1cccc([C@H](C)[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000079414145 286466049 /nfs/dbraw/zinc/46/60/49/286466049.db2.gz IZKORKCMOBEUSA-HNNXBMFYSA-N 2 2 288.435 3.316 10 0 CGAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)Cc2cccc(C)c2)cc1 ZINC000020225850 171089771 /nfs/dbraw/zinc/08/97/71/171089771.db2.gz YGIGKRTVXZXZBW-GOSISDBHSA-N 2 2 284.403 3.135 10 0 CGAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)Cc2cccc(C)c2)cc1 ZINC000020225850 171089773 /nfs/dbraw/zinc/08/97/73/171089773.db2.gz YGIGKRTVXZXZBW-GOSISDBHSA-N 2 2 284.403 3.135 10 0 CGAELP C[N@H+](CC(C)(C)C)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000020226529 171091948 /nfs/dbraw/zinc/09/19/48/171091948.db2.gz HPZVIJGUMNLABZ-CYBMUJFWSA-N 2 2 299.256 3.427 10 0 CGAELP C[N@@H+](CC(C)(C)C)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000020226529 171091950 /nfs/dbraw/zinc/09/19/50/171091950.db2.gz HPZVIJGUMNLABZ-CYBMUJFWSA-N 2 2 299.256 3.427 10 0 CGAELP C[C@H]1CCC[C@@](C[NH3+])([N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000035176775 172030284 /nfs/dbraw/zinc/03/02/84/172030284.db2.gz VLPQQYVKBVLFQN-MWDXBVQZSA-N 2 2 264.457 3.406 10 0 CGAELP C[C@H]1CCC[C@@](C[NH3+])([N@H+]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000035176775 172030285 /nfs/dbraw/zinc/03/02/85/172030285.db2.gz VLPQQYVKBVLFQN-MWDXBVQZSA-N 2 2 264.457 3.406 10 0 CGAELP CCC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC000035586615 172285336 /nfs/dbraw/zinc/28/53/36/172285336.db2.gz ONJSMNFWJMNFEU-ZDUSSCGKSA-N 2 2 263.772 3.347 10 0 CGAELP CC[N@H+](Cc1ccccc1Br)C1CC[NH2+]CC1 ZINC000037538700 173259300 /nfs/dbraw/zinc/25/93/00/173259300.db2.gz FLUDOWYFEIXZGB-UHFFFAOYSA-N 2 2 297.240 3.023 10 0 CGAELP CC[N@@H+](Cc1ccccc1Br)C1CC[NH2+]CC1 ZINC000037538700 173259301 /nfs/dbraw/zinc/25/93/01/173259301.db2.gz FLUDOWYFEIXZGB-UHFFFAOYSA-N 2 2 297.240 3.023 10 0 CGAELP COc1ccc(C(C)C)cc1[C@H](C[NH3+])[N@H+](C)C(C)C ZINC000076369752 177006418 /nfs/dbraw/zinc/00/64/18/177006418.db2.gz WSJWLKOJCWUXSO-HNNXBMFYSA-N 2 2 264.413 3.159 10 0 CGAELP COc1ccc(C(C)C)cc1[C@H](C[NH3+])[N@@H+](C)C(C)C ZINC000076369752 177006419 /nfs/dbraw/zinc/00/64/19/177006419.db2.gz WSJWLKOJCWUXSO-HNNXBMFYSA-N 2 2 264.413 3.159 10 0 CGAELP CCC(CC)[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000042277128 270032349 /nfs/dbraw/zinc/03/23/49/270032349.db2.gz BUGLWCUEFXAJKC-KRWDZBQOSA-N 2 2 260.425 3.082 10 0 CGAELP CCC(CC)[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000042277128 270032350 /nfs/dbraw/zinc/03/23/50/270032350.db2.gz BUGLWCUEFXAJKC-KRWDZBQOSA-N 2 2 260.425 3.082 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000223147147 270086086 /nfs/dbraw/zinc/08/60/86/270086086.db2.gz UFMYNQVAOJYSCY-WMLDXEAASA-N 2 2 280.431 3.323 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)c3ccccc32)C1 ZINC000311614005 276179266 /nfs/dbraw/zinc/17/92/66/276179266.db2.gz WCLVXIUBQYYXSV-JKIFEVAISA-N 2 2 258.409 3.309 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)c3ccccc32)C1 ZINC000311614005 276179267 /nfs/dbraw/zinc/17/92/67/276179267.db2.gz WCLVXIUBQYYXSV-JKIFEVAISA-N 2 2 258.409 3.309 10 0 CGAELP CCC[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC000053011297 519936833 /nfs/dbraw/zinc/93/68/33/519936833.db2.gz MTXBERVKZZEOSQ-CYBMUJFWSA-N 2 2 266.816 3.162 10 0 CGAELP CCC[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC000053011297 519936842 /nfs/dbraw/zinc/93/68/42/519936842.db2.gz MTXBERVKZZEOSQ-CYBMUJFWSA-N 2 2 266.816 3.162 10 0 CGAELP CC[C@H](C[NH2+]CC(C)C)[N@H+](C)Cc1cccc(F)c1 ZINC000052425245 522194630 /nfs/dbraw/zinc/19/46/30/522194630.db2.gz ROSDQRPIHBKYRD-MRXNPFEDSA-N 2 2 266.404 3.282 10 0 CGAELP CC[C@H](C[NH2+]CC(C)C)[N@@H+](C)Cc1cccc(F)c1 ZINC000052425245 522194638 /nfs/dbraw/zinc/19/46/38/522194638.db2.gz ROSDQRPIHBKYRD-MRXNPFEDSA-N 2 2 266.404 3.282 10 0 CGAELP Cc1occc1C[N@@H+](C)[C@H](C[NH2+]C(C)C)C(C)C ZINC000052346444 526827387 /nfs/dbraw/zinc/82/73/87/526827387.db2.gz BDBANNDBMKLNPT-OAHLLOKOSA-N 2 2 252.402 3.042 10 0 CGAELP Cc1occc1C[N@H+](C)[C@H](C[NH2+]C(C)C)C(C)C ZINC000052346444 526827388 /nfs/dbraw/zinc/82/73/88/526827388.db2.gz BDBANNDBMKLNPT-OAHLLOKOSA-N 2 2 252.402 3.042 10 0 CGAELP CC1(C)C[N@H+](Cc2ccccc2)C2(CCCC2)C[NH2+]1 ZINC000082936362 345723540 /nfs/dbraw/zinc/72/35/40/345723540.db2.gz WQRASDKXLMNYOQ-UHFFFAOYSA-N 2 2 258.409 3.183 10 0 CGAELP CC1(C)C[N@@H+](Cc2ccccc2)C2(CCCC2)C[NH2+]1 ZINC000082936362 345723543 /nfs/dbraw/zinc/72/35/43/345723543.db2.gz WQRASDKXLMNYOQ-UHFFFAOYSA-N 2 2 258.409 3.183 10 0 CGAELP c1ccc2[nH+]c(N3CCC[C@@H]([NH+]4CCCCCC4)C3)[nH]c2c1 ZINC000091482381 345816744 /nfs/dbraw/zinc/81/67/44/345816744.db2.gz IPJOPIPFQXQNNO-OAHLLOKOSA-N 2 2 298.434 3.408 10 0 CGAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]Cc1ccnc2ccccc12 ZINC000111763662 345950712 /nfs/dbraw/zinc/95/07/12/345950712.db2.gz IJORBPVEBXPUQH-INIZCTEOSA-N 2 2 285.435 3.301 10 0 CGAELP [NH3+]CC[N@@H+]1CCCCC[C@@H]1c1ccccc1Cl ZINC000616623896 348849942 /nfs/dbraw/zinc/84/99/42/348849942.db2.gz LKRDUIRPZDLZFD-CQSZACIVSA-N 2 2 252.789 3.216 10 0 CGAELP [NH3+]CC[N@H+]1CCCCC[C@@H]1c1ccccc1Cl ZINC000616623896 348849944 /nfs/dbraw/zinc/84/99/44/348849944.db2.gz LKRDUIRPZDLZFD-CQSZACIVSA-N 2 2 252.789 3.216 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCOCCC(C)C)C1 ZINC000120600327 370784646 /nfs/dbraw/zinc/78/46/46/370784646.db2.gz VTDAUOZMQJXLLY-MRXNPFEDSA-N 2 2 293.455 3.145 10 0 CGAELP CCc1ccc([C@H](C[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000022853808 368811866 /nfs/dbraw/zinc/81/18/66/368811866.db2.gz JQFYRCVDDLVRKR-VBQJREDUSA-N 2 2 260.425 3.227 10 0 CGAELP CCc1ccc([C@H](C[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000022853808 368811870 /nfs/dbraw/zinc/81/18/70/368811870.db2.gz JQFYRCVDDLVRKR-VBQJREDUSA-N 2 2 260.425 3.227 10 0 CGAELP CCOc1ccccc1[C@@H](C[NH3+])[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022853966 368812487 /nfs/dbraw/zinc/81/24/87/368812487.db2.gz BMBPIZPLSGZGKK-IJEWVQPXSA-N 2 2 276.424 3.063 10 0 CGAELP CCOc1ccccc1[C@@H](C[NH3+])[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022853966 368812492 /nfs/dbraw/zinc/81/24/92/368812492.db2.gz BMBPIZPLSGZGKK-IJEWVQPXSA-N 2 2 276.424 3.063 10 0 CGAELP CCOc1ccc([C@@H](C[NH3+])[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000022854007 368812516 /nfs/dbraw/zinc/81/25/16/368812516.db2.gz RANIHJNVMSKCDN-JKIFEVAISA-N 2 2 276.424 3.348 10 0 CGAELP CCOc1ccc([C@@H](C[NH3+])[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000022854007 368812520 /nfs/dbraw/zinc/81/25/20/368812520.db2.gz RANIHJNVMSKCDN-JKIFEVAISA-N 2 2 276.424 3.348 10 0 CGAELP CCn1c2ccccc2[nH+]c1NC1CC[NH+](C(C)C)CC1 ZINC000029562519 368896285 /nfs/dbraw/zinc/89/62/85/368896285.db2.gz LVFOLUGTMZFXNN-UHFFFAOYSA-N 2 2 286.423 3.341 10 0 CGAELP CC[NH2+]C[C@H]1[NH2+]C[C@@H](c2ccccc2)c2ccccc21 ZINC000025964926 368853553 /nfs/dbraw/zinc/85/35/53/368853553.db2.gz HSNLDJSGPCJLBB-ZWKOTPCHSA-N 2 2 266.388 3.072 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3cc(OC)ccc32)C1 ZINC000040502405 369158179 /nfs/dbraw/zinc/15/81/79/369158179.db2.gz VBRHFXKEJPQZLH-MAUKXSAKSA-N 2 2 288.435 3.147 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3cc(OC)ccc32)C1 ZINC000040502405 369158183 /nfs/dbraw/zinc/15/81/83/369158183.db2.gz VBRHFXKEJPQZLH-MAUKXSAKSA-N 2 2 288.435 3.147 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000040502402 369158389 /nfs/dbraw/zinc/15/83/89/369158389.db2.gz FWJHFSGGLBQXTF-DOTOQJQBSA-N 2 2 260.425 3.438 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000040502402 369158390 /nfs/dbraw/zinc/15/83/90/369158390.db2.gz FWJHFSGGLBQXTF-DOTOQJQBSA-N 2 2 260.425 3.438 10 0 CGAELP CC(C)c1cc(N[C@H]2CCC[NH2+]C2)nc(-c2ccccc2)[nH+]1 ZINC000070456404 369800955 /nfs/dbraw/zinc/80/09/55/369800955.db2.gz PWXSAAFTBJIDNP-HNNXBMFYSA-N 2 2 296.418 3.431 10 0 CGAELP CCc1c(C)[nH+]c(-c2ccccc2)nc1N[C@@H]1CCC[NH2+]C1 ZINC000070456407 369801180 /nfs/dbraw/zinc/80/11/80/369801180.db2.gz AGXPQJATCLAQPS-OAHLLOKOSA-N 2 2 296.418 3.178 10 0 CGAELP CCCc1cc(N[C@@H]2CCC[NH2+]C2)nc(-c2ccccc2)[nH+]1 ZINC000070456405 369801546 /nfs/dbraw/zinc/80/15/46/369801546.db2.gz IYJYQYIRKONVJD-MRXNPFEDSA-N 2 2 296.418 3.260 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC23CCCCC3)C1 ZINC000313008409 374297104 /nfs/dbraw/zinc/29/71/04/374297104.db2.gz NWSZSDCQIXDUHG-LSDHHAIUSA-N 2 2 250.430 3.173 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC23CCCCC3)C1 ZINC000313008409 374297111 /nfs/dbraw/zinc/29/71/11/374297111.db2.gz NWSZSDCQIXDUHG-LSDHHAIUSA-N 2 2 250.430 3.173 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccccc2OC(F)F)C1 ZINC000328364769 374364042 /nfs/dbraw/zinc/36/40/42/374364042.db2.gz QSWHCFFMSDHGPT-VXGBXAGGSA-N 2 2 284.350 3.033 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccccc2OC(F)F)C1 ZINC000328364769 374364044 /nfs/dbraw/zinc/36/40/44/374364044.db2.gz QSWHCFFMSDHGPT-VXGBXAGGSA-N 2 2 284.350 3.033 10 0 CGAELP C[C@H]1CC[N@H+](Cc2cccc3[nH]ccc32)C[C@H]1n1cc[nH+]c1 ZINC000247279758 377188413 /nfs/dbraw/zinc/18/84/13/377188413.db2.gz YNCONFKWWCUXIP-KBXCAEBGSA-N 2 2 294.402 3.448 10 0 CGAELP C[C@H]1CC[N@@H+](Cc2cccc3[nH]ccc32)C[C@H]1n1cc[nH+]c1 ZINC000247279758 377188420 /nfs/dbraw/zinc/18/84/20/377188420.db2.gz YNCONFKWWCUXIP-KBXCAEBGSA-N 2 2 294.402 3.448 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000389423740 379898763 /nfs/dbraw/zinc/89/87/63/379898763.db2.gz WDIVZKANKZWJNG-CYBMUJFWSA-N 2 2 289.810 3.072 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000389423740 379898768 /nfs/dbraw/zinc/89/87/68/379898768.db2.gz WDIVZKANKZWJNG-CYBMUJFWSA-N 2 2 289.810 3.072 10 0 CGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000674880104 543302278 /nfs/dbraw/zinc/30/22/78/543302278.db2.gz GKDJLWNSOLWWNO-MLVVQWTHSA-N 2 2 278.827 3.126 10 0 CGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000674880104 543302279 /nfs/dbraw/zinc/30/22/79/543302279.db2.gz GKDJLWNSOLWWNO-MLVVQWTHSA-N 2 2 278.827 3.126 10 0 CGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000674880121 543302289 /nfs/dbraw/zinc/30/22/89/543302289.db2.gz GKDJLWNSOLWWNO-SNBTVBLJSA-N 2 2 278.827 3.126 10 0 CGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000674880121 543302290 /nfs/dbraw/zinc/30/22/90/543302290.db2.gz GKDJLWNSOLWWNO-SNBTVBLJSA-N 2 2 278.827 3.126 10 0 CGAELP [NH3+]C[C@H](c1ccc(F)cc1)[NH+]1CCCCCCC1 ZINC000020265285 171122961 /nfs/dbraw/zinc/12/29/61/171122961.db2.gz CYIJTDGZJZNGGP-OAHLLOKOSA-N 2 2 250.361 3.092 10 0 CGAELP [NH3+]C[C@@H](c1cccc(F)c1)[NH+]1CCCCCCC1 ZINC000020265227 171122997 /nfs/dbraw/zinc/12/29/97/171122997.db2.gz MFIVUSHRDSUAEL-HNNXBMFYSA-N 2 2 250.361 3.092 10 0 CGAELP C[NH+](C)C[C@@H]([NH2+]CC1CCCCC1)c1ccccc1 ZINC000022153041 171359906 /nfs/dbraw/zinc/35/99/06/171359906.db2.gz NRVSMQUELXGUTD-QGZVFWFLSA-N 2 2 260.425 3.459 10 0 CGAELP CC(C)[N@H+](C)[C@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000022163559 171364910 /nfs/dbraw/zinc/36/49/10/171364910.db2.gz BSAGGHPQBPFRPO-GFCCVEGCSA-N 2 2 261.196 3.333 10 0 CGAELP CC(C)[N@@H+](C)[C@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000022163559 171364912 /nfs/dbraw/zinc/36/49/12/171364912.db2.gz BSAGGHPQBPFRPO-GFCCVEGCSA-N 2 2 261.196 3.333 10 0 CGAELP Cc1ccsc1[C@@H](C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000022176862 171370820 /nfs/dbraw/zinc/37/08/20/171370820.db2.gz FUMCSZRYEPRZJZ-OAHLLOKOSA-N 2 2 272.417 3.115 10 0 CGAELP Cc1ccsc1[C@@H](C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000022176862 171370822 /nfs/dbraw/zinc/37/08/22/171370822.db2.gz FUMCSZRYEPRZJZ-OAHLLOKOSA-N 2 2 272.417 3.115 10 0 CGAELP [NH3+][C@@H](Cc1ccccc1)[C@H](c1ccccc1)n1cc[nH+]c1 ZINC000022565202 171391710 /nfs/dbraw/zinc/39/17/10/171391710.db2.gz FNZASKVUDGTAEV-ROUUACIJSA-N 2 2 277.371 3.043 10 0 CGAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1F ZINC000035570198 172265015 /nfs/dbraw/zinc/26/50/15/172265015.db2.gz QVQYXURNJUYFPE-LBPRGKRZSA-N 2 2 267.735 3.096 10 0 CGAELP Cc1ccc([C@@H](C[NH3+])[N@H+](C)Cc2ccc(C)cc2)s1 ZINC000037328321 173128385 /nfs/dbraw/zinc/12/83/85/173128385.db2.gz FOERYIOBLBUZPQ-OAHLLOKOSA-N 2 2 274.433 3.497 10 0 CGAELP Cc1ccc([C@@H](C[NH3+])[N@@H+](C)Cc2ccc(C)cc2)s1 ZINC000037328321 173128387 /nfs/dbraw/zinc/12/83/87/173128387.db2.gz FOERYIOBLBUZPQ-OAHLLOKOSA-N 2 2 274.433 3.497 10 0 CGAELP CC(C)[N@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000044415119 175173095 /nfs/dbraw/zinc/17/30/95/175173095.db2.gz YENWELGNUTZHSF-HNNXBMFYSA-N 2 2 266.816 3.460 10 0 CGAELP CC(C)[N@@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000044415119 175173096 /nfs/dbraw/zinc/17/30/96/175173096.db2.gz YENWELGNUTZHSF-HNNXBMFYSA-N 2 2 266.816 3.460 10 0 CGAELP CC[C@H]1CN(c2[nH+]c3ccccc3cc2C)CC[C@@H]1[NH3+] ZINC000123032706 416505312 /nfs/dbraw/zinc/50/53/12/416505312.db2.gz ZFWMTFORJPGHLN-ZFWWWQNUSA-N 2 2 269.392 3.107 10 0 CGAELP Cc1[nH+]cc(C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)n1C ZINC000657326142 419250699 /nfs/dbraw/zinc/25/06/99/419250699.db2.gz AQAKCIBVYVIQBC-SECBINFHSA-N 2 2 281.762 3.372 10 0 CGAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000396574195 288014105 /nfs/dbraw/zinc/01/41/05/288014105.db2.gz MGXAJXAOWQAGDV-WDMOLILDSA-N 2 2 286.341 3.497 10 0 CGAELP CC(C)[N@H+]1C[C@H]([NH2+]C[C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000176474347 335285484 /nfs/dbraw/zinc/28/54/84/335285484.db2.gz JHKDSHIQFKPASH-VYDXJSESSA-N 2 2 260.425 3.108 10 0 CGAELP CC(C)[N@@H+]1C[C@H]([NH2+]C[C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000176474347 335285485 /nfs/dbraw/zinc/28/54/85/335285485.db2.gz JHKDSHIQFKPASH-VYDXJSESSA-N 2 2 260.425 3.108 10 0 CGAELP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1cccc(Br)c1 ZINC000358394093 533991008 /nfs/dbraw/zinc/99/10/08/533991008.db2.gz FSBUNLUZTAYBKL-UHIISALHSA-N 2 2 297.240 3.050 10 0 CGAELP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1cccc(Br)c1 ZINC000358394093 533991016 /nfs/dbraw/zinc/99/10/16/533991016.db2.gz FSBUNLUZTAYBKL-UHIISALHSA-N 2 2 297.240 3.050 10 0 CGAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000049195768 519793944 /nfs/dbraw/zinc/79/39/44/519793944.db2.gz UAFVZHVEOQUYNB-SWLSCSKDSA-N 2 2 252.377 3.063 10 0 CGAELP Cc1cc2[nH+]cn(C[C@H](C)C[NH2+]C(C)C)c2cc1C ZINC000052575768 525685283 /nfs/dbraw/zinc/68/52/83/525685283.db2.gz LKRMKPAFYBKMDG-GFCCVEGCSA-N 2 2 259.397 3.287 10 0 CGAELP CCCCCC[N@@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757127970 617753866 /nfs/dbraw/zinc/75/38/66/617753866.db2.gz IHSBEOMAZMJWOV-INIZCTEOSA-N 2 2 250.430 3.127 10 0 CGAELP CCCCCC[N@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757127970 617753870 /nfs/dbraw/zinc/75/38/70/617753870.db2.gz IHSBEOMAZMJWOV-INIZCTEOSA-N 2 2 250.430 3.127 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000094370387 619244792 /nfs/dbraw/zinc/24/47/92/619244792.db2.gz ZWCGBMZIWSNXAQ-JKSUJKDBSA-N 2 2 282.472 3.044 10 0 CGAELP CC(C)[N@@H+]1C[C@H]([NH2+][C@H](C)CSC(C)(C)C)[C@@H](C)C1 ZINC000246508111 640679329 /nfs/dbraw/zinc/67/93/29/640679329.db2.gz TXFHJEGQGJDFFF-MJBXVCDLSA-N 2 2 272.502 3.225 10 0 CGAELP CC(C)[N@H+]1C[C@H]([NH2+][C@H](C)CSC(C)(C)C)[C@@H](C)C1 ZINC000246508111 640679330 /nfs/dbraw/zinc/67/93/30/640679330.db2.gz TXFHJEGQGJDFFF-MJBXVCDLSA-N 2 2 272.502 3.225 10 0 CGAELP CCC[C@@]1(C[N@H+](C)Cc2scnc2C)CCC[NH2+]C1 ZINC000104444522 186004400 /nfs/dbraw/zinc/00/44/00/186004400.db2.gz OCCUHPOWWSSMRF-OAHLLOKOSA-N 2 2 281.469 3.053 10 0 CGAELP CCC[C@@]1(C[N@@H+](C)Cc2scnc2C)CCC[NH2+]C1 ZINC000104444522 186004401 /nfs/dbraw/zinc/00/44/01/186004401.db2.gz OCCUHPOWWSSMRF-OAHLLOKOSA-N 2 2 281.469 3.053 10 0 CGAELP c1[nH+]c2cc(CCC[NH2+]C3CC3)ccc2n1C1CC1 ZINC000107296092 186168565 /nfs/dbraw/zinc/16/85/65/186168565.db2.gz CCZRCGBEOHXEEO-UHFFFAOYSA-N 2 2 255.365 3.056 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000122930449 187060752 /nfs/dbraw/zinc/06/07/52/187060752.db2.gz SCZSEJXOSPQTTP-INIZCTEOSA-N 2 2 299.418 3.291 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000122930449 187060753 /nfs/dbraw/zinc/06/07/53/187060753.db2.gz SCZSEJXOSPQTTP-INIZCTEOSA-N 2 2 299.418 3.291 10 0 CGAELP Cc1nc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)oc1C ZINC000180649634 189267812 /nfs/dbraw/zinc/26/78/12/189267812.db2.gz MOAHONCJNGSOBW-CYBMUJFWSA-N 2 2 296.374 3.328 10 0 CGAELP Cc1cc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000180669004 189269240 /nfs/dbraw/zinc/26/92/40/189269240.db2.gz OKYBKTXPLCMDNA-ZDUSSCGKSA-N 2 2 282.347 3.020 10 0 CGAELP CCOc1ccc([C@H](C[NH3+])[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000022854009 368812854 /nfs/dbraw/zinc/81/28/54/368812854.db2.gz RANIHJNVMSKCDN-VBQJREDUSA-N 2 2 276.424 3.348 10 0 CGAELP CCOc1ccc([C@H](C[NH3+])[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000022854009 368812858 /nfs/dbraw/zinc/81/28/58/368812858.db2.gz RANIHJNVMSKCDN-VBQJREDUSA-N 2 2 276.424 3.348 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000132999879 371219083 /nfs/dbraw/zinc/21/90/83/371219083.db2.gz KZIYAFASSVXCCI-ROUUACIJSA-N 2 2 272.436 3.082 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000132999879 371219087 /nfs/dbraw/zinc/21/90/87/371219087.db2.gz KZIYAFASSVXCCI-ROUUACIJSA-N 2 2 272.436 3.082 10 0 CGAELP COc1cccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000151100711 371567893 /nfs/dbraw/zinc/56/78/93/371567893.db2.gz XCWIZYKZRCQXIC-MRXNPFEDSA-N 2 2 297.402 3.024 10 0 CGAELP COc1cccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000151100711 371567900 /nfs/dbraw/zinc/56/79/00/371567900.db2.gz XCWIZYKZRCQXIC-MRXNPFEDSA-N 2 2 297.402 3.024 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000178287552 373761233 /nfs/dbraw/zinc/76/12/33/373761233.db2.gz WOGHPZXSJLOIEW-MRXNPFEDSA-N 2 2 261.413 3.236 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000178287552 373761240 /nfs/dbraw/zinc/76/12/40/373761240.db2.gz WOGHPZXSJLOIEW-MRXNPFEDSA-N 2 2 261.413 3.236 10 0 CGAELP Cc1ccc2cc(C[NH2+][C@@H]3C[N@H+](C(C)C)C[C@@H]3C)ccc2n1 ZINC000189380642 375379198 /nfs/dbraw/zinc/37/91/98/375379198.db2.gz DMKUWLYUFFBPKI-IFXJQAMLSA-N 2 2 297.446 3.362 10 0 CGAELP Cc1ccc2cc(C[NH2+][C@@H]3C[N@@H+](C(C)C)C[C@@H]3C)ccc2n1 ZINC000189380642 375379201 /nfs/dbraw/zinc/37/92/01/375379201.db2.gz DMKUWLYUFFBPKI-IFXJQAMLSA-N 2 2 297.446 3.362 10 0 CGAELP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261611060 296229517 /nfs/dbraw/zinc/22/95/17/296229517.db2.gz SLJQHSHZOSTSNE-HZMBPMFUSA-N 2 2 268.351 3.085 10 0 CGAELP C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261611060 296229521 /nfs/dbraw/zinc/22/95/21/296229521.db2.gz SLJQHSHZOSTSNE-HZMBPMFUSA-N 2 2 268.351 3.085 10 0 CGAELP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)o1 ZINC000131987191 542073359 /nfs/dbraw/zinc/07/33/59/542073359.db2.gz ZNKTWGOZVHAKQA-TUKIKUTGSA-N 2 2 256.349 3.383 10 0 CGAELP C[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000245556751 376853470 /nfs/dbraw/zinc/85/34/70/376853470.db2.gz ANXSIEGPBMPPLE-MLGOLLRUSA-N 2 2 291.345 3.244 10 0 CGAELP C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000245556751 376853479 /nfs/dbraw/zinc/85/34/79/376853479.db2.gz ANXSIEGPBMPPLE-MLGOLLRUSA-N 2 2 291.345 3.244 10 0 CGAELP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(Cl)s1 ZINC000400333974 379947858 /nfs/dbraw/zinc/94/78/58/379947858.db2.gz CPIIPTVBIZRRCV-GUBZILKMSA-N 2 2 258.818 3.193 10 0 CGAELP C[N@H+](Cc1ccc(Cl)cc1Cl)CC(C)(C)C[NH3+] ZINC000093861251 165339541 /nfs/dbraw/zinc/33/95/41/165339541.db2.gz VZUBZCXICKLOTB-UHFFFAOYSA-N 2 2 275.223 3.410 10 0 CGAELP C[N@@H+](Cc1ccc(Cl)cc1Cl)CC(C)(C)C[NH3+] ZINC000093861251 165339542 /nfs/dbraw/zinc/33/95/42/165339542.db2.gz VZUBZCXICKLOTB-UHFFFAOYSA-N 2 2 275.223 3.410 10 0 CGAELP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1c(F)cccc1F ZINC000019905768 170917171 /nfs/dbraw/zinc/91/71/71/170917171.db2.gz NLXBCNFNCYYEOF-LLVKDONJSA-N 2 2 270.367 3.203 10 0 CGAELP CC[N@H+](Cc1ccccc1)[C@@H](C[NH3+])c1cccs1 ZINC000020225298 171087209 /nfs/dbraw/zinc/08/72/09/171087209.db2.gz KVXRKQOXFOVYDK-AWEZNQCLSA-N 2 2 260.406 3.270 10 0 CGAELP CC[N@@H+](Cc1ccccc1)[C@@H](C[NH3+])c1cccs1 ZINC000020225298 171087210 /nfs/dbraw/zinc/08/72/10/171087210.db2.gz KVXRKQOXFOVYDK-AWEZNQCLSA-N 2 2 260.406 3.270 10 0 CGAELP Cc1ccc([C@H](C[NH3+])[N@H+](C)CCc2ccccc2)cc1 ZINC000020225580 171088971 /nfs/dbraw/zinc/08/89/71/171088971.db2.gz ABAGIUJVBBUKHF-SFHVURJKSA-N 2 2 268.404 3.169 10 0 CGAELP Cc1ccc([C@H](C[NH3+])[N@@H+](C)CCc2ccccc2)cc1 ZINC000020225580 171088973 /nfs/dbraw/zinc/08/89/73/171088973.db2.gz ABAGIUJVBBUKHF-SFHVURJKSA-N 2 2 268.404 3.169 10 0 CGAELP [NH3+]C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCCCCC1 ZINC000022175859 171370545 /nfs/dbraw/zinc/37/05/45/171370545.db2.gz LRGRLPMSWVKXMD-CQSZACIVSA-N 2 2 284.350 3.164 10 0 CGAELP CCOc1ccccc1[C@@H](C[NH3+])[N@H+](C)C1CCCCC1 ZINC000022212787 171374356 /nfs/dbraw/zinc/37/43/56/171374356.db2.gz DDGLBHVNZDTYCI-MRXNPFEDSA-N 2 2 276.424 3.350 10 0 CGAELP CCOc1ccccc1[C@@H](C[NH3+])[N@@H+](C)C1CCCCC1 ZINC000022212787 171374357 /nfs/dbraw/zinc/37/43/57/171374357.db2.gz DDGLBHVNZDTYCI-MRXNPFEDSA-N 2 2 276.424 3.350 10 0 CGAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cc(Cl)ccc1Cl ZINC000035504322 172238264 /nfs/dbraw/zinc/23/82/64/172238264.db2.gz XLHDBCBEDPBSJA-LLVKDONJSA-N 2 2 270.163 3.220 10 0 CGAELP CCc1ccc(C[NH2+][C@H](CC(C)C)C[NH+](C)C)cc1 ZINC000037166711 173001867 /nfs/dbraw/zinc/00/18/67/173001867.db2.gz ZOIBGOSANOESPE-QGZVFWFLSA-N 2 2 262.441 3.315 10 0 CGAELP CC(C)[NH+](CCNc1[nH]c2ccccc2[nH+]1)C(C)C ZINC000037493971 173233892 /nfs/dbraw/zinc/23/38/92/173233892.db2.gz YDELXFMITXECAZ-UHFFFAOYSA-N 2 2 260.385 3.094 10 0 CGAELP Clc1cccc(-c2c[nH]c(CC3CC[NH2+]CC3)[nH+]2)c1 ZINC000038076156 174086406 /nfs/dbraw/zinc/08/64/06/174086406.db2.gz HWWXPUOFIXSNNS-UHFFFAOYSA-N 2 2 275.783 3.272 10 0 CGAELP C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000044561477 175204937 /nfs/dbraw/zinc/20/49/37/175204937.db2.gz VXBRGVLVPXOHOJ-NVXWUHKLSA-N 2 2 258.409 3.138 10 0 CGAELP C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000044561477 175204939 /nfs/dbraw/zinc/20/49/39/175204939.db2.gz VXBRGVLVPXOHOJ-NVXWUHKLSA-N 2 2 258.409 3.138 10 0 CGAELP Cc1ccc(C[NH2+][C@@H](CC(C)C)C[NH+](C)C)cc1C ZINC000037321645 270029219 /nfs/dbraw/zinc/02/92/19/270029219.db2.gz CFQQSKDPNKZJKC-KRWDZBQOSA-N 2 2 262.441 3.369 10 0 CGAELP Cc1oncc1C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189911734 270072445 /nfs/dbraw/zinc/07/24/45/270072445.db2.gz APCJTUZRHLNKAJ-LBPRGKRZSA-N 2 2 282.347 3.020 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)c2ccc(C)cc2C)C1 ZINC000250339487 270091299 /nfs/dbraw/zinc/09/12/99/270091299.db2.gz PORNJWLTZRVDKW-CVEARBPZSA-N 2 2 260.425 3.438 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)c2ccc(C)cc2C)C1 ZINC000250339487 270091300 /nfs/dbraw/zinc/09/13/00/270091300.db2.gz PORNJWLTZRVDKW-CVEARBPZSA-N 2 2 260.425 3.438 10 0 CGAELP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000396566863 288013923 /nfs/dbraw/zinc/01/39/23/288013923.db2.gz MHWPXCKTWHWYSO-BPNCWPANSA-N 2 2 280.412 3.093 10 0 CGAELP CC(C)C[C@@H]1C[N@@H+]([C@@H]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000062624678 519270154 /nfs/dbraw/zinc/27/01/54/519270154.db2.gz XYPJHJJRIQFTSJ-ARFHVFGLSA-N 2 2 252.446 3.275 10 0 CGAELP CC(C)C[C@@H]1C[N@H+]([C@@H]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000062624678 519270162 /nfs/dbraw/zinc/27/01/62/519270162.db2.gz XYPJHJJRIQFTSJ-ARFHVFGLSA-N 2 2 252.446 3.275 10 0 CGAELP CC(C)C[NH2+]C[C@H](c1ccccc1)[N@H+](C)CC1CC1 ZINC000052483728 519746171 /nfs/dbraw/zinc/74/61/71/519746171.db2.gz JQHGJSQMPVQLEO-QGZVFWFLSA-N 2 2 260.425 3.315 10 0 CGAELP CC(C)C[NH2+]C[C@H](c1ccccc1)[N@@H+](C)CC1CC1 ZINC000052483728 519746172 /nfs/dbraw/zinc/74/61/72/519746172.db2.gz JQHGJSQMPVQLEO-QGZVFWFLSA-N 2 2 260.425 3.315 10 0 CGAELP CCCC1CC[NH+]([C@H]2CCCCC[C@@H]2[NH2+]C)CC1 ZINC000050893440 519903271 /nfs/dbraw/zinc/90/32/71/519903271.db2.gz MRXQETWLIFGECC-HOTGVXAUSA-N 2 2 252.446 3.419 10 0 CGAELP CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1[N@H+](C)CC(C)C ZINC000054554937 520218533 /nfs/dbraw/zinc/21/85/33/520218533.db2.gz YKPKFYMGFZVWIN-PMPSAXMXSA-N 2 2 254.462 3.377 10 0 CGAELP CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1[N@@H+](C)CC(C)C ZINC000054554937 520218542 /nfs/dbraw/zinc/21/85/42/520218542.db2.gz YKPKFYMGFZVWIN-PMPSAXMXSA-N 2 2 254.462 3.377 10 0 CGAELP COc1c(C)c[nH+]c(CC(C)(C)C[NH2+]C(C)C)c1C ZINC000054638209 521808695 /nfs/dbraw/zinc/80/86/95/521808695.db2.gz QLRDMHDQFRECMH-UHFFFAOYSA-N 2 2 264.413 3.274 10 0 CGAELP C[NH2+][C@H]1CCCCCC[C@H]1[NH+]1CCC(C)(C)CC1 ZINC000061819523 522491251 /nfs/dbraw/zinc/49/12/51/522491251.db2.gz DVLNRGQRTULJMM-LSDHHAIUSA-N 2 2 252.446 3.419 10 0 CGAELP CC[C@@H]([NH3+])[C@@H](c1ccco1)[NH+]1CCC(C)(C)CC1 ZINC000061818426 522648891 /nfs/dbraw/zinc/64/88/91/522648891.db2.gz FLOLFGYCEAESSG-OCCSQVGLSA-N 2 2 250.386 3.180 10 0 CGAELP CC[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(Br)cc1 ZINC000054764486 522868860 /nfs/dbraw/zinc/86/88/60/522868860.db2.gz RXGLSMQTAWCQHO-CYBMUJFWSA-N 2 2 294.196 3.413 10 0 CGAELP C[C@@H]1CC[N@@H+]([C@@H](C[NH2+]C(C)(C)C)c2ccccc2)C1 ZINC000052484725 524522802 /nfs/dbraw/zinc/52/28/02/524522802.db2.gz NTCCOJGWWVMLDU-ZBFHGGJFSA-N 2 2 260.425 3.458 10 0 CGAELP C[C@@H]1CC[N@H+]([C@@H](C[NH2+]C(C)(C)C)c2ccccc2)C1 ZINC000052484725 524522806 /nfs/dbraw/zinc/52/28/06/524522806.db2.gz NTCCOJGWWVMLDU-ZBFHGGJFSA-N 2 2 260.425 3.458 10 0 CGAELP Cc1ccccc1C[N@H+]1C[C@H](C(C)C)[NH2+]C[C@@H]1C(C)C ZINC000062668238 525146216 /nfs/dbraw/zinc/14/62/16/525146216.db2.gz GDVKICCPGKUQGW-QZTJIDSGSA-N 2 2 274.452 3.449 10 0 CGAELP Cc1ccccc1C[N@@H+]1C[C@H](C(C)C)[NH2+]C[C@@H]1C(C)C ZINC000062668238 525146223 /nfs/dbraw/zinc/14/62/23/525146223.db2.gz GDVKICCPGKUQGW-QZTJIDSGSA-N 2 2 274.452 3.449 10 0 CGAELP Cc1ccsc1[C@H](C[NH3+])[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000050563535 525888495 /nfs/dbraw/zinc/88/84/95/525888495.db2.gz SPTHDMLEBDNGBE-DRZSPHRISA-N 2 2 252.427 3.177 10 0 CGAELP Cc1ccsc1[C@H](C[NH3+])[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000050563535 525888489 /nfs/dbraw/zinc/88/84/89/525888489.db2.gz SPTHDMLEBDNGBE-DRZSPHRISA-N 2 2 252.427 3.177 10 0 CGAELP CCCOc1cccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000188398110 542248186 /nfs/dbraw/zinc/24/81/86/542248186.db2.gz NSUHPKQFSTYUBR-QGZVFWFLSA-N 2 2 299.418 3.337 10 0 CGAELP CCCOc1cccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000188398110 542248190 /nfs/dbraw/zinc/24/81/90/542248190.db2.gz NSUHPKQFSTYUBR-QGZVFWFLSA-N 2 2 299.418 3.337 10 0 CGAELP CCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](CC)C2)cc1 ZINC000389450586 346572830 /nfs/dbraw/zinc/57/28/30/346572830.db2.gz QCZCMVLUJMFCHH-HOCLYGCPSA-N 2 2 276.424 3.220 10 0 CGAELP CCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](CC)C2)cc1 ZINC000389450586 346572838 /nfs/dbraw/zinc/57/28/38/346572838.db2.gz QCZCMVLUJMFCHH-HOCLYGCPSA-N 2 2 276.424 3.220 10 0 CGAELP C[NH+]1CCN(C2=[NH+]c3cscc3Nc3ccccc32)CC1 ZINC000100790498 185725354 /nfs/dbraw/zinc/72/53/54/185725354.db2.gz DNKVNDSHBUYVIX-UHFFFAOYSA-N 2 2 298.415 3.131 10 0 CGAELP c1c[nH+]c([C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000616650449 348857185 /nfs/dbraw/zinc/85/71/85/348857185.db2.gz DHTPCBKUKSJGKP-OAHLLOKOSA-N 2 2 255.365 3.179 10 0 CGAELP c1c[nH+]c([C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000616650449 348857188 /nfs/dbraw/zinc/85/71/88/348857188.db2.gz DHTPCBKUKSJGKP-OAHLLOKOSA-N 2 2 255.365 3.179 10 0 CGAELP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1cccc(Br)c1 ZINC000358394086 233123523 /nfs/dbraw/zinc/12/35/23/233123523.db2.gz FSBUNLUZTAYBKL-SUNKGSAMSA-N 2 2 297.240 3.050 10 0 CGAELP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1cccc(Br)c1 ZINC000358394086 233123528 /nfs/dbraw/zinc/12/35/28/233123528.db2.gz FSBUNLUZTAYBKL-SUNKGSAMSA-N 2 2 297.240 3.050 10 0 CGAELP COc1ccccc1C[NH2+][C@H]1CCC[NH2+][C@@H]1c1ccccc1 ZINC000022933032 368813705 /nfs/dbraw/zinc/81/37/05/368813705.db2.gz DTQNEFOKTXXQKV-PKOBYXMFSA-N 2 2 296.414 3.278 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](CCC(C)C)C2CC2)C1 ZINC000310688785 374222279 /nfs/dbraw/zinc/22/22/79/374222279.db2.gz WCYJRPOVLYZSPP-CVEARBPZSA-N 2 2 252.446 3.275 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](CCC(C)C)C2CC2)C1 ZINC000310688785 374222286 /nfs/dbraw/zinc/22/22/86/374222286.db2.gz WCYJRPOVLYZSPP-CVEARBPZSA-N 2 2 252.446 3.275 10 0 CGAELP CCc1ccccc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000189079991 375319871 /nfs/dbraw/zinc/31/98/71/375319871.db2.gz DYJYQDLCWOIMLQ-SFHVURJKSA-N 2 2 283.419 3.419 10 0 CGAELP CCc1ccccc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000189079991 375319880 /nfs/dbraw/zinc/31/98/80/375319880.db2.gz DYJYQDLCWOIMLQ-SFHVURJKSA-N 2 2 283.419 3.419 10 0 CGAELP Cc1ccc(C)c(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000152298934 542106992 /nfs/dbraw/zinc/10/69/92/542106992.db2.gz LAOMATIZQGKGOY-QGZVFWFLSA-N 2 2 269.392 3.165 10 0 CGAELP Cc1ccc(C)c(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000152298934 542106996 /nfs/dbraw/zinc/10/69/96/542106996.db2.gz LAOMATIZQGKGOY-QGZVFWFLSA-N 2 2 269.392 3.165 10 0 CGAELP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(C)(C)C ZINC000248183735 377277680 /nfs/dbraw/zinc/27/76/80/377277680.db2.gz WYIBOLYAQQNSTH-INMHGKMJSA-N 2 2 289.467 3.316 10 0 CGAELP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(C)(C)C ZINC000248183735 377277683 /nfs/dbraw/zinc/27/76/83/377277683.db2.gz WYIBOLYAQQNSTH-INMHGKMJSA-N 2 2 289.467 3.316 10 0 CGAELP Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180671414 542212764 /nfs/dbraw/zinc/21/27/64/542212764.db2.gz JJXIYASQWIPBTR-QWHCGFSZSA-N 2 2 295.390 3.316 10 0 CGAELP c1cn2c(cccc2C[N@@H+]2CCS[C@H]3CCCC[C@H]32)[nH+]1 ZINC000252733827 377659275 /nfs/dbraw/zinc/65/92/75/377659275.db2.gz ITRXDMBNPDMTKI-CABCVRRESA-N 2 2 287.432 3.194 10 0 CGAELP c1cn2c(cccc2C[N@H+]2CCS[C@H]3CCCC[C@H]32)[nH+]1 ZINC000252733827 377659280 /nfs/dbraw/zinc/65/92/80/377659280.db2.gz ITRXDMBNPDMTKI-CABCVRRESA-N 2 2 287.432 3.194 10 0 CGAELP C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000400344251 287051440 /nfs/dbraw/zinc/05/14/40/287051440.db2.gz JVMUQVUQWVMFFS-WDMOLILDSA-N 2 2 252.789 3.131 10 0 CGAELP C[C@H]([NH2+]Cc1cc[nH]c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000086255488 287082619 /nfs/dbraw/zinc/08/26/19/287082619.db2.gz YRJMZORMVPFKDR-ZDUSSCGKSA-N 2 2 266.348 3.051 10 0 CGAELP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1c(F)cccc1F ZINC000020129009 171016589 /nfs/dbraw/zinc/01/65/89/171016589.db2.gz MEWCYONBARMGLF-GFCCVEGCSA-N 2 2 268.351 3.101 10 0 CGAELP C[N@H+](CC1CCCCC1)[C@@H](C[NH3+])c1ccccc1F ZINC000020225630 171088155 /nfs/dbraw/zinc/08/81/55/171088155.db2.gz VYASGKQLVGVDCG-INIZCTEOSA-N 2 2 264.388 3.338 10 0 CGAELP C[N@@H+](CC1CCCCC1)[C@@H](C[NH3+])c1ccccc1F ZINC000020225630 171088159 /nfs/dbraw/zinc/08/81/59/171088159.db2.gz VYASGKQLVGVDCG-INIZCTEOSA-N 2 2 264.388 3.338 10 0 CGAELP CCCOc1ccc([C@H](C[NH3+])[N@H+](C)CC(C)C)cc1 ZINC000020226553 171091208 /nfs/dbraw/zinc/09/12/08/171091208.db2.gz TWLRFYJVYKTCKY-INIZCTEOSA-N 2 2 264.413 3.063 10 0 CGAELP CCCOc1ccc([C@H](C[NH3+])[N@@H+](C)CC(C)C)cc1 ZINC000020226553 171091209 /nfs/dbraw/zinc/09/12/09/171091209.db2.gz TWLRFYJVYKTCKY-INIZCTEOSA-N 2 2 264.413 3.063 10 0 CGAELP CCC(C)(C)C1CCC(C[NH3+])([NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000021012917 171288417 /nfs/dbraw/zinc/28/84/17/171288417.db2.gz MJXQYJNLEZAMQM-WMTDPASSSA-N 2 2 296.499 3.420 10 0 CGAELP C[C@@H]1C[C@H](C)C[N@H+](C2(C[NH3+])CCCCCCC2)C1 ZINC000021026886 171291166 /nfs/dbraw/zinc/29/11/66/171291166.db2.gz KDSLMOCBCDULJO-GASCZTMLSA-N 2 2 252.446 3.406 10 0 CGAELP C[C@@H]1C[C@H](C)C[N@@H+](C2(C[NH3+])CCCCCCC2)C1 ZINC000021026886 171291167 /nfs/dbraw/zinc/29/11/67/171291167.db2.gz KDSLMOCBCDULJO-GASCZTMLSA-N 2 2 252.446 3.406 10 0 CGAELP C[C@@H]1C[C@@H](C)C[NH+](C2(C[NH3+])CCCCCCC2)C1 ZINC000021026880 171291396 /nfs/dbraw/zinc/29/13/96/171291396.db2.gz KDSLMOCBCDULJO-HUUCEWRRSA-N 2 2 252.446 3.406 10 0 CGAELP CC(C)[N@H+](C)[C@@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000022178605 171371831 /nfs/dbraw/zinc/37/18/31/171371831.db2.gz VHLXLVGFNLMXCC-LBPRGKRZSA-N 2 2 260.303 3.045 10 0 CGAELP CC(C)[N@@H+](C)[C@@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000022178605 171371833 /nfs/dbraw/zinc/37/18/33/171371833.db2.gz VHLXLVGFNLMXCC-LBPRGKRZSA-N 2 2 260.303 3.045 10 0 CGAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)C[C@@H](C)CC(C)(C)C ZINC000035570090 172265013 /nfs/dbraw/zinc/26/50/13/172265013.db2.gz CTBDPOQIXQDKGR-OLZOCXBDSA-N 2 2 251.418 3.393 10 0 CGAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1F ZINC000035570200 172265088 /nfs/dbraw/zinc/26/50/88/172265088.db2.gz QVQYXURNJUYFPE-GFCCVEGCSA-N 2 2 267.735 3.096 10 0 CGAELP CCOc1ccc([C@H](C[NH3+])[N@H+](C)C[C@@H](C)CC)cc1 ZINC000037172619 173006800 /nfs/dbraw/zinc/00/68/00/173006800.db2.gz MSDHPEFWXXPFGG-BBRMVZONSA-N 2 2 264.413 3.063 10 0 CGAELP CCOc1ccc([C@H](C[NH3+])[N@@H+](C)C[C@@H](C)CC)cc1 ZINC000037172619 173006802 /nfs/dbraw/zinc/00/68/02/173006802.db2.gz MSDHPEFWXXPFGG-BBRMVZONSA-N 2 2 264.413 3.063 10 0 CGAELP CCC[NH+](CCC)[C@H](C[NH3+])c1ccccc1OCC ZINC000038860230 174158425 /nfs/dbraw/zinc/15/84/25/174158425.db2.gz NAZCNJYRQGOGAP-OAHLLOKOSA-N 2 2 264.413 3.207 10 0 CGAELP [NH3+]Cc1cccc(Cn2cc[nH+]c2-c2ccccc2)c1 ZINC000040228231 174208819 /nfs/dbraw/zinc/20/88/19/174208819.db2.gz MENQKCUJYDMSJE-UHFFFAOYSA-N 2 2 263.344 3.057 10 0 CGAELP COc1ccccc1C[C@@H](C)[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000037321606 270029427 /nfs/dbraw/zinc/02/94/27/270029427.db2.gz IBLWKAVTRHKCRL-NVXWUHKLSA-N 2 2 292.467 3.192 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000328349250 270095150 /nfs/dbraw/zinc/09/51/50/270095150.db2.gz MWHYNRPVSZSRLD-HUUCEWRRSA-N 2 2 250.430 3.173 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000328349250 270095151 /nfs/dbraw/zinc/09/51/51/270095151.db2.gz MWHYNRPVSZSRLD-HUUCEWRRSA-N 2 2 250.430 3.173 10 0 CGAELP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000396526793 288013680 /nfs/dbraw/zinc/01/36/80/288013680.db2.gz FMWHOJVUDVWFTN-VBQJREDUSA-N 2 2 276.424 3.265 10 0 CGAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1ccc(Cl)s1 ZINC000396708579 288015813 /nfs/dbraw/zinc/01/58/13/288015813.db2.gz KXHPBTZKMDGSFX-UTLUCORTSA-N 2 2 258.818 3.193 10 0 CGAELP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1cccc(Br)c1 ZINC000358394074 290026803 /nfs/dbraw/zinc/02/68/03/290026803.db2.gz FSBUNLUZTAYBKL-COPLHBTASA-N 2 2 297.240 3.050 10 0 CGAELP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1cccc(Br)c1 ZINC000358394074 290026807 /nfs/dbraw/zinc/02/68/07/290026807.db2.gz FSBUNLUZTAYBKL-COPLHBTASA-N 2 2 297.240 3.050 10 0 CGAELP Cc1cc2ccccc2[nH+]c1N[C@@H](C)CCCC[NH3+] ZINC000311693155 321958427 /nfs/dbraw/zinc/95/84/27/321958427.db2.gz KRQDKIBLWCUDEB-ZDUSSCGKSA-N 2 2 257.381 3.473 10 0 CGAELP CCC[NH2+]C[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCSC1 ZINC000052453679 519935302 /nfs/dbraw/zinc/93/53/02/519935302.db2.gz VBQHNRNDGXRYJB-HZPDHXFCSA-N 2 2 278.465 3.165 10 0 CGAELP CCC[NH2+]C[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCSC1 ZINC000052453679 519935309 /nfs/dbraw/zinc/93/53/09/519935309.db2.gz VBQHNRNDGXRYJB-HZPDHXFCSA-N 2 2 278.465 3.165 10 0 CGAELP c1ccc(CC[N@@H+]2CC[C@H]([NH2+][C@H]3CC=CCC3)C2)cc1 ZINC000088746994 526465385 /nfs/dbraw/zinc/46/53/85/526465385.db2.gz RDEICIXIQXGNJR-ROUUACIJSA-N 2 2 270.420 3.002 10 0 CGAELP c1ccc(CC[N@H+]2CC[C@H]([NH2+][C@H]3CC=CCC3)C2)cc1 ZINC000088746994 526465388 /nfs/dbraw/zinc/46/53/88/526465388.db2.gz RDEICIXIQXGNJR-ROUUACIJSA-N 2 2 270.420 3.002 10 0 CGAELP CCC[NH2+]C[C@@H]1CCN(c2ccc([NH+]3CCCC3)cc2)C1 ZINC000062996599 602692676 /nfs/dbraw/zinc/69/26/76/602692676.db2.gz BWIOTZDLJQPLLM-INIZCTEOSA-N 2 2 287.451 3.113 10 0 CGAELP [NH3+][C@H]1CCC[N@H+](Cc2ccccc2)[C@H]1c1ccccc1 ZINC000096947881 185138086 /nfs/dbraw/zinc/13/80/86/185138086.db2.gz VVXYYKWVMSGEJM-ROUUACIJSA-N 2 2 266.388 3.351 10 0 CGAELP [NH3+][C@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1c1ccccc1 ZINC000096947881 185138088 /nfs/dbraw/zinc/13/80/88/185138088.db2.gz VVXYYKWVMSGEJM-ROUUACIJSA-N 2 2 266.388 3.351 10 0 CGAELP COc1ccccc1/C=C/C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000188403305 542247695 /nfs/dbraw/zinc/24/76/95/542247695.db2.gz GYMUYUVINKZHSA-PFWMLDTASA-N 2 2 297.402 3.070 10 0 CGAELP COc1ccccc1/C=C/C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000188403305 542247698 /nfs/dbraw/zinc/24/76/98/542247698.db2.gz GYMUYUVINKZHSA-PFWMLDTASA-N 2 2 297.402 3.070 10 0 CGAELP C[NH2+]CCC1CCN(c2[nH+]c3ccccc3cc2C)CC1 ZINC000070190083 345389621 /nfs/dbraw/zinc/38/96/21/345389621.db2.gz MAMUETJWKLTIFQ-UHFFFAOYSA-N 2 2 283.419 3.369 10 0 CGAELP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000119392365 345993341 /nfs/dbraw/zinc/99/33/41/345993341.db2.gz SZFCRVRQXCBGLL-RLFYNMQTSA-N 2 2 290.451 3.465 10 0 CGAELP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000119392365 345993345 /nfs/dbraw/zinc/99/33/45/345993345.db2.gz SZFCRVRQXCBGLL-RLFYNMQTSA-N 2 2 290.451 3.465 10 0 CGAELP c1cc2c3c(c1)C[N@H+]([C@@H]1C[NH+]4CCC1CC4)C[C@H]3CCC2 ZINC000163948868 346181884 /nfs/dbraw/zinc/18/18/84/346181884.db2.gz LYYPYBYFIMUISS-QZTJIDSGSA-N 2 2 282.431 3.016 10 0 CGAELP c1cc2c3c(c1)C[N@@H+]([C@@H]1C[NH+]4CCC1CC4)C[C@H]3CCC2 ZINC000163948868 346181887 /nfs/dbraw/zinc/18/18/87/346181887.db2.gz LYYPYBYFIMUISS-QZTJIDSGSA-N 2 2 282.431 3.016 10 0 CGAELP Cc1cc2ccccc2[nH+]c1N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252851250 346392765 /nfs/dbraw/zinc/39/27/65/346392765.db2.gz IAODJBOPUULVFN-JYJNAYRXSA-N 2 2 281.403 3.107 10 0 CGAELP C[C@H]1[N@H+](Cc2ccccc2)CC[C@@]12[NH2+]CCc1sccc12 ZINC000307546742 346463770 /nfs/dbraw/zinc/46/37/70/346463770.db2.gz BQQVENUDELYOPD-RDTXWAMCSA-N 2 2 298.455 3.384 10 0 CGAELP C[C@H]1[N@@H+](Cc2ccccc2)CC[C@@]12[NH2+]CCc1sccc12 ZINC000307546742 346463774 /nfs/dbraw/zinc/46/37/74/346463774.db2.gz BQQVENUDELYOPD-RDTXWAMCSA-N 2 2 298.455 3.384 10 0 CGAELP Cc1cccc(NC[C@@H]2CCN(c3cccc(C)[nH+]3)C2)[nH+]1 ZINC000157332183 188310683 /nfs/dbraw/zinc/31/06/83/188310683.db2.gz FGCPPVFFBRHVQA-HNNXBMFYSA-N 2 2 282.391 3.032 10 0 CGAELP Cc1sccc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000294434369 199038490 /nfs/dbraw/zinc/03/84/90/199038490.db2.gz XLJWQLXTUXVMOG-OAHLLOKOSA-N 2 2 275.421 3.226 10 0 CGAELP Cc1sccc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000294434369 199038491 /nfs/dbraw/zinc/03/84/91/199038491.db2.gz XLJWQLXTUXVMOG-OAHLLOKOSA-N 2 2 275.421 3.226 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](C)c1ccccc1 ZINC000178331572 189107548 /nfs/dbraw/zinc/10/75/48/189107548.db2.gz NVBANZWJEDQYRC-QAPCUYQASA-N 2 2 283.419 3.460 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](C)c1ccccc1 ZINC000178331572 189107549 /nfs/dbraw/zinc/10/75/49/189107549.db2.gz NVBANZWJEDQYRC-QAPCUYQASA-N 2 2 283.419 3.460 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccc(C)c1 ZINC000178286315 189102617 /nfs/dbraw/zinc/10/26/17/189102617.db2.gz OOEUNLIFWBYQOM-QGZVFWFLSA-N 2 2 269.392 3.165 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccc(C)c1 ZINC000178286315 189102618 /nfs/dbraw/zinc/10/26/18/189102618.db2.gz OOEUNLIFWBYQOM-QGZVFWFLSA-N 2 2 269.392 3.165 10 0 CGAELP Cc1cccc(N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000301945829 201271540 /nfs/dbraw/zinc/27/15/40/201271540.db2.gz XHJWVWDTCCOVDK-RDJZCZTQSA-N 2 2 281.403 3.465 10 0 CGAELP Cc1cccc(N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000301945829 201271544 /nfs/dbraw/zinc/27/15/44/201271544.db2.gz XHJWVWDTCCOVDK-RDJZCZTQSA-N 2 2 281.403 3.465 10 0 CGAELP CCc1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)o1 ZINC000092812642 370103939 /nfs/dbraw/zinc/10/39/39/370103939.db2.gz IAYUQPBHNJLBFO-CQSZACIVSA-N 2 2 285.391 3.171 10 0 CGAELP CCc1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)o1 ZINC000092812642 370103945 /nfs/dbraw/zinc/10/39/45/370103945.db2.gz IAYUQPBHNJLBFO-CQSZACIVSA-N 2 2 285.391 3.171 10 0 CGAELP Cc1ccc(F)cc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000180042394 373957237 /nfs/dbraw/zinc/95/72/37/373957237.db2.gz KPEKQHFZGDZSAF-OAHLLOKOSA-N 2 2 299.393 3.463 10 0 CGAELP Cc1ccc(F)cc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000180042394 373957242 /nfs/dbraw/zinc/95/72/42/373957242.db2.gz KPEKQHFZGDZSAF-OAHLLOKOSA-N 2 2 299.393 3.463 10 0 CGAELP CC[N@@H+]1CCC[C@H](Nc2cc[nH+]c3ccsc32)C1 ZINC000180422832 374002381 /nfs/dbraw/zinc/00/23/81/374002381.db2.gz XOQDVSAFXJVGNH-NSHDSACASA-N 2 2 261.394 3.193 10 0 CGAELP CC[N@H+]1CCC[C@H](Nc2cc[nH+]c3ccsc32)C1 ZINC000180422832 374002388 /nfs/dbraw/zinc/00/23/88/374002388.db2.gz XOQDVSAFXJVGNH-NSHDSACASA-N 2 2 261.394 3.193 10 0 CGAELP CC[N@@H+]1CCC[C@@H](Nc2cc[nH+]c3ccsc32)C1 ZINC000180422851 374002677 /nfs/dbraw/zinc/00/26/77/374002677.db2.gz XOQDVSAFXJVGNH-LLVKDONJSA-N 2 2 261.394 3.193 10 0 CGAELP CC[N@H+]1CCC[C@@H](Nc2cc[nH+]c3ccsc32)C1 ZINC000180422851 374002685 /nfs/dbraw/zinc/00/26/85/374002685.db2.gz XOQDVSAFXJVGNH-LLVKDONJSA-N 2 2 261.394 3.193 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccc(C)c1C ZINC000180125979 373968052 /nfs/dbraw/zinc/96/80/52/373968052.db2.gz DJAOGMLSTHNKPG-GOSISDBHSA-N 2 2 283.419 3.473 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccc(C)c1C ZINC000180125979 373968054 /nfs/dbraw/zinc/96/80/54/373968054.db2.gz DJAOGMLSTHNKPG-GOSISDBHSA-N 2 2 283.419 3.473 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)C1CCSCC1 ZINC000187158356 374980328 /nfs/dbraw/zinc/98/03/28/374980328.db2.gz XPEFCHIURMHOIH-UKRRQHHQSA-N 2 2 272.502 3.084 10 0 CGAELP C(=C/c1ccccc1)\C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000136080424 542090100 /nfs/dbraw/zinc/09/01/00/542090100.db2.gz FDNISPIATCKVKM-IOMDMTNGSA-N 2 2 267.376 3.061 10 0 CGAELP C(=C/c1ccccc1)\C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000136080424 542090104 /nfs/dbraw/zinc/09/01/04/542090104.db2.gz FDNISPIATCKVKM-IOMDMTNGSA-N 2 2 267.376 3.061 10 0 CGAELP Fc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c(Cl)c1 ZINC000177101193 542189575 /nfs/dbraw/zinc/18/95/75/542189575.db2.gz WCFKMSCSIRYELV-CQSZACIVSA-N 2 2 293.773 3.340 10 0 CGAELP Fc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c(Cl)c1 ZINC000177101193 542189579 /nfs/dbraw/zinc/18/95/79/542189579.db2.gz WCFKMSCSIRYELV-CQSZACIVSA-N 2 2 293.773 3.340 10 0 CGAELP CSc1ccc([C@@H](C[NH3+])[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000252091228 377613881 /nfs/dbraw/zinc/61/38/81/377613881.db2.gz DQVHZDVWLWKHJE-SWLSCSKDSA-N 2 2 264.438 3.140 10 0 CGAELP CSc1ccc([C@@H](C[NH3+])[N@H+]2CCC[C@H](C)C2)cc1 ZINC000252091228 377613886 /nfs/dbraw/zinc/61/38/86/377613886.db2.gz DQVHZDVWLWKHJE-SWLSCSKDSA-N 2 2 264.438 3.140 10 0 CGAELP Clc1csc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000194482474 542276914 /nfs/dbraw/zinc/27/69/14/542276914.db2.gz XERDGBFGMGVWKW-GFCCVEGCSA-N 2 2 281.812 3.263 10 0 CGAELP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000248848843 542337449 /nfs/dbraw/zinc/33/74/49/542337449.db2.gz ABHJUFYAGAHCBI-OAGGEKHMSA-N 2 2 261.413 3.174 10 0 CGAELP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000248848843 542337453 /nfs/dbraw/zinc/33/74/53/542337453.db2.gz ABHJUFYAGAHCBI-OAGGEKHMSA-N 2 2 261.413 3.174 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000106217655 392299536 /nfs/dbraw/zinc/29/95/36/392299536.db2.gz XHORKXCIRSUCNO-INIZCTEOSA-N 2 2 269.392 3.283 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000106217655 392299538 /nfs/dbraw/zinc/29/95/38/392299538.db2.gz XHORKXCIRSUCNO-INIZCTEOSA-N 2 2 269.392 3.283 10 0 CGAELP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cc(F)ccc1F ZINC000678738559 543552709 /nfs/dbraw/zinc/55/27/09/543552709.db2.gz FIJGPTDOHIJMAB-DGCLKSJQSA-N 2 2 268.351 3.100 10 0 CGAELP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cc(F)ccc1F ZINC000678738559 543552710 /nfs/dbraw/zinc/55/27/10/543552710.db2.gz FIJGPTDOHIJMAB-DGCLKSJQSA-N 2 2 268.351 3.100 10 0 CGAELP CC[NH+](CC)CC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000020551093 171247126 /nfs/dbraw/zinc/24/71/26/171247126.db2.gz KAJAXUBUGADNIS-ARFHVFGLSA-N 2 2 254.462 3.379 10 0 CGAELP CC[N@H+]([C@@H](C[NH3+])c1ccc(C)o1)C1CCCCC1 ZINC000022164778 171365106 /nfs/dbraw/zinc/36/51/06/171365106.db2.gz XBQGQMACQLKGAL-AWEZNQCLSA-N 2 2 250.386 3.242 10 0 CGAELP CC[N@@H+]([C@@H](C[NH3+])c1ccc(C)o1)C1CCCCC1 ZINC000022164778 171365108 /nfs/dbraw/zinc/36/51/08/171365108.db2.gz XBQGQMACQLKGAL-AWEZNQCLSA-N 2 2 250.386 3.242 10 0 CGAELP C[N@H+]([C@@H](C[NH3+])c1cccc(F)c1)C1CCCCC1 ZINC000022212942 171374215 /nfs/dbraw/zinc/37/42/15/171374215.db2.gz NAUZHBNJVUWNMZ-HNNXBMFYSA-N 2 2 250.361 3.090 10 0 CGAELP C[N@@H+]([C@@H](C[NH3+])c1cccc(F)c1)C1CCCCC1 ZINC000022212942 171374216 /nfs/dbraw/zinc/37/42/16/171374216.db2.gz NAUZHBNJVUWNMZ-HNNXBMFYSA-N 2 2 250.361 3.090 10 0 CGAELP CCOc1ccc([C@@H](C[NH3+])[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000022213744 171375051 /nfs/dbraw/zinc/37/50/51/171375051.db2.gz ZJYXNAAZHPSOBU-CKEIUWERSA-N 2 2 276.424 3.063 10 0 CGAELP CC[NH+](CC)[C@H](C[NH2+]C[C@@H]1CCCCO1)c1ccccc1 ZINC000035151276 172014332 /nfs/dbraw/zinc/01/43/32/172014332.db2.gz SGUJDJXNKQATIV-ZWKOTPCHSA-N 2 2 290.451 3.228 10 0 CGAELP CC(C)CC[C@](C)(C[NH3+])[N@H+](C)Cc1ccsc1 ZINC000035719050 172373488 /nfs/dbraw/zinc/37/34/88/172373488.db2.gz HNPYIHACXIRAJB-CQSZACIVSA-N 2 2 254.443 3.334 10 0 CGAELP CC(C)CC[C@](C)(C[NH3+])[N@@H+](C)Cc1ccsc1 ZINC000035719050 172373490 /nfs/dbraw/zinc/37/34/90/172373490.db2.gz HNPYIHACXIRAJB-CQSZACIVSA-N 2 2 254.443 3.334 10 0 CGAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]CCCc1ccccc1 ZINC000037166560 173000679 /nfs/dbraw/zinc/00/06/79/173000679.db2.gz RJOAXDZWLLRGQN-KRWDZBQOSA-N 2 2 262.441 3.185 10 0 CGAELP Clc1ccc(-c2c[nH]c(CC3CC[NH2+]CC3)[nH+]2)s1 ZINC000038076138 174086307 /nfs/dbraw/zinc/08/63/07/174086307.db2.gz OIAODRCWBMLGHV-UHFFFAOYSA-N 2 2 281.812 3.334 10 0 CGAELP C[C@@H]1CCC[C@H](C)[N@H+]1[C@H](C[NH3+])c1ccccc1F ZINC000039789054 174173004 /nfs/dbraw/zinc/17/30/04/174173004.db2.gz PHJYKSUFIFYPKN-TYNCELHUSA-N 2 2 250.361 3.088 10 0 CGAELP C[C@@H]1CCC[C@H](C)[N@@H+]1[C@H](C[NH3+])c1ccccc1F ZINC000039789054 174173006 /nfs/dbraw/zinc/17/30/06/174173006.db2.gz PHJYKSUFIFYPKN-TYNCELHUSA-N 2 2 250.361 3.088 10 0 CGAELP CCc1[nH+]c2cc(Cl)ccc2n1CCC[NH+](C)C ZINC000040404143 174253799 /nfs/dbraw/zinc/25/37/99/174253799.db2.gz GHLGZFHVOYGKNY-UHFFFAOYSA-N 2 2 265.788 3.204 10 0 CGAELP Cc1cccc(NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)[nH+]1 ZINC000040670068 174368343 /nfs/dbraw/zinc/36/83/43/174368343.db2.gz NRSOGEGZAYUQRR-CZUORRHYSA-N 2 2 261.413 3.312 10 0 CGAELP C[NH+](C)C[C@H]([NH2+][C@H]1CCCSCC1)c1ccccc1 ZINC000657826796 419375038 /nfs/dbraw/zinc/37/50/38/419375038.db2.gz KWRCCJFFEZPVBZ-HOTGVXAUSA-N 2 2 278.465 3.165 10 0 CGAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCc2ccccc21 ZINC000037167133 270028839 /nfs/dbraw/zinc/02/88/39/270028839.db2.gz VTZKDXNBOBPIOO-RDJZCZTQSA-N 2 2 260.425 3.240 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)CCc2ccccc2)C1 ZINC000250353907 270091405 /nfs/dbraw/zinc/09/14/05/270091405.db2.gz RUYVLVYQNICUNO-NVXWUHKLSA-N 2 2 260.425 3.082 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)CCc2ccccc2)C1 ZINC000250353907 270091406 /nfs/dbraw/zinc/09/14/06/270091406.db2.gz RUYVLVYQNICUNO-NVXWUHKLSA-N 2 2 260.425 3.082 10 0 CGAELP Cc1cc(N2C[C@H](C)[C@H]([NH+](C)C)C2)c2cccc(F)c2[nH+]1 ZINC000301682357 274713757 /nfs/dbraw/zinc/71/37/57/274713757.db2.gz SLWSRLVBFXGSEP-MEDUHNTESA-N 2 2 287.382 3.069 10 0 CGAELP CC(C)n1cc[nH+]c1Cn1c[nH+]c2c1C[C@@H](C)[C@H](C)C2 ZINC000296140753 276086286 /nfs/dbraw/zinc/08/62/86/276086286.db2.gz ZRPLKIACAHAQHX-CHWSQXEVSA-N 2 2 272.396 3.080 10 0 CGAELP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000396526788 288013751 /nfs/dbraw/zinc/01/37/51/288013751.db2.gz FMWHOJVUDVWFTN-GRDNDAEWSA-N 2 2 276.424 3.265 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000217914268 279322843 /nfs/dbraw/zinc/32/28/43/279322843.db2.gz DPOQBGXPPCYBSB-QLFBSQMISA-N 2 2 252.446 3.275 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000217914268 279322846 /nfs/dbraw/zinc/32/28/46/279322846.db2.gz DPOQBGXPPCYBSB-QLFBSQMISA-N 2 2 252.446 3.275 10 0 CGAELP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C[NH+](C)C)c2ccccc2)CCO1 ZINC000070346270 280031955 /nfs/dbraw/zinc/03/19/55/280031955.db2.gz PWOJTHOZSKCRJT-SQNIBIBYSA-N 2 2 290.451 3.083 10 0 CGAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)CSC(C)(C)C)C1 ZINC000246508103 640679175 /nfs/dbraw/zinc/67/91/75/640679175.db2.gz TXFHJEGQGJDFFF-MGPQQGTHSA-N 2 2 272.502 3.225 10 0 CGAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)CSC(C)(C)C)C1 ZINC000246508103 640679180 /nfs/dbraw/zinc/67/91/80/640679180.db2.gz TXFHJEGQGJDFFF-MGPQQGTHSA-N 2 2 272.502 3.225 10 0 CGAELP Cc1cnccc1C[NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000294975294 199278907 /nfs/dbraw/zinc/27/89/07/199278907.db2.gz FVLNMGJAQSSLLH-INIZCTEOSA-N 2 2 283.419 3.000 10 0 CGAELP Cc1cnccc1C[NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000294975294 199278910 /nfs/dbraw/zinc/27/89/10/199278910.db2.gz FVLNMGJAQSSLLH-INIZCTEOSA-N 2 2 283.419 3.000 10 0 CGAELP [NH3+]C1([NH3+])CCC(c2ccccc2)(c2ccccc2)CC1 ZINC000060299568 345212363 /nfs/dbraw/zinc/21/23/63/345212363.db2.gz MXMMKCKGERIECY-UHFFFAOYSA-N 2 2 266.388 3.160 10 0 CGAELP C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)o1 ZINC000188418619 542249129 /nfs/dbraw/zinc/24/91/29/542249129.db2.gz LOLWFUTUQNTQIU-IIAWOOMASA-N 2 2 285.391 3.264 10 0 CGAELP C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)o1 ZINC000188418619 542249132 /nfs/dbraw/zinc/24/91/32/542249132.db2.gz LOLWFUTUQNTQIU-IIAWOOMASA-N 2 2 285.391 3.264 10 0 CGAELP Fc1ccc(/C=C/C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000127748537 138390778 /nfs/dbraw/zinc/39/07/78/138390778.db2.gz YPRKQJZSOKWFDJ-ONEGZZNKSA-N 2 2 288.410 3.399 10 0 CGAELP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)o1 ZINC000127740227 138390865 /nfs/dbraw/zinc/39/08/65/138390865.db2.gz BFNUOYBJMBRWQH-PBHICJAKSA-N 2 2 288.435 3.463 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C/C=C/c1ccccc1 ZINC000178333881 189107925 /nfs/dbraw/zinc/10/79/25/189107925.db2.gz BTJZUZGOBWFCRL-QKYXPGDISA-N 2 2 281.403 3.369 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C/C=C/c1ccccc1 ZINC000178333881 189107926 /nfs/dbraw/zinc/10/79/26/189107926.db2.gz BTJZUZGOBWFCRL-QKYXPGDISA-N 2 2 281.403 3.369 10 0 CGAELP Cc1cccc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)[nH+]1 ZINC000301720959 201159835 /nfs/dbraw/zinc/15/98/35/201159835.db2.gz MOTATGSTYMIDNM-YOEHRIQHSA-N 2 2 281.403 3.322 10 0 CGAELP Cc1cccc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)[nH+]1 ZINC000301720959 201159839 /nfs/dbraw/zinc/15/98/39/201159839.db2.gz MOTATGSTYMIDNM-YOEHRIQHSA-N 2 2 281.403 3.322 10 0 CGAELP COc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000120932357 370814753 /nfs/dbraw/zinc/81/47/53/370814753.db2.gz AFCVTYGGBJFUDY-KEYYUXOJSA-N 2 2 276.424 3.075 10 0 CGAELP COc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000120932357 370814758 /nfs/dbraw/zinc/81/47/58/370814758.db2.gz AFCVTYGGBJFUDY-KEYYUXOJSA-N 2 2 276.424 3.075 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC000040501969 369156671 /nfs/dbraw/zinc/15/66/71/369156671.db2.gz NKERQMZHMCGZRX-SFHVURJKSA-N 2 2 268.404 3.414 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC000040501969 369156676 /nfs/dbraw/zinc/15/66/76/369156676.db2.gz NKERQMZHMCGZRX-SFHVURJKSA-N 2 2 268.404 3.414 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+]C2CC(c3ccc(C)cc3)C2)C1 ZINC000040502677 369157647 /nfs/dbraw/zinc/15/76/47/369157647.db2.gz BEFAGJFIUZFTEP-ADKAHSJRSA-N 2 2 272.436 3.315 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+]C2CC(c3ccc(C)cc3)C2)C1 ZINC000040502677 369157652 /nfs/dbraw/zinc/15/76/52/369157652.db2.gz BEFAGJFIUZFTEP-ADKAHSJRSA-N 2 2 272.436 3.315 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](c2ccccc2)C(C)C)C1 ZINC000040502946 369158108 /nfs/dbraw/zinc/15/81/08/369158108.db2.gz GUVIKUJXSNATIA-IAGOWNOFSA-N 2 2 260.425 3.458 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](c2ccccc2)C(C)C)C1 ZINC000040502946 369158114 /nfs/dbraw/zinc/15/81/14/369158114.db2.gz GUVIKUJXSNATIA-IAGOWNOFSA-N 2 2 260.425 3.458 10 0 CGAELP COCc1ccc([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCC2)o1 ZINC000130894818 371067009 /nfs/dbraw/zinc/06/70/09/371067009.db2.gz HOFVZZRVMRSXRI-INIZCTEOSA-N 2 2 292.423 3.049 10 0 CGAELP COCc1ccc([C@@H]2CCC[N@H+]2CCC[NH+]2CCCC2)o1 ZINC000130894818 371067011 /nfs/dbraw/zinc/06/70/11/371067011.db2.gz HOFVZZRVMRSXRI-INIZCTEOSA-N 2 2 292.423 3.049 10 0 CGAELP Cc1ccsc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000180125893 373968189 /nfs/dbraw/zinc/96/81/89/373968189.db2.gz KBKWWSWFZWCZAS-CQSZACIVSA-N 2 2 275.421 3.226 10 0 CGAELP Cc1ccsc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000180125893 373968192 /nfs/dbraw/zinc/96/81/92/373968192.db2.gz KBKWWSWFZWCZAS-CQSZACIVSA-N 2 2 275.421 3.226 10 0 CGAELP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC)C1)c1cccc(Cl)c1 ZINC000328468664 374365173 /nfs/dbraw/zinc/36/51/73/374365173.db2.gz KIGJBCKSZCHUEH-CABCVRRESA-N 2 2 266.816 3.475 10 0 CGAELP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC)C1)c1cccc(Cl)c1 ZINC000328468664 374365178 /nfs/dbraw/zinc/36/51/78/374365178.db2.gz KIGJBCKSZCHUEH-CABCVRRESA-N 2 2 266.816 3.475 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCC12CCCC2 ZINC000474061379 375076104 /nfs/dbraw/zinc/07/61/04/375076104.db2.gz AKYCTYFRYLXQHH-HUUCEWRRSA-N 2 2 252.446 3.275 10 0 CGAELP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C1CCC1 ZINC000247994997 377256584 /nfs/dbraw/zinc/25/65/84/377256584.db2.gz JVIVJACGVUEDMT-IIDMSEBBSA-N 2 2 287.451 3.070 10 0 CGAELP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C1CCC1 ZINC000247994997 377256595 /nfs/dbraw/zinc/25/65/95/377256595.db2.gz JVIVJACGVUEDMT-IIDMSEBBSA-N 2 2 287.451 3.070 10 0 CGAELP C[C@@H](C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1)c1ccccc1 ZINC000194642145 542276368 /nfs/dbraw/zinc/27/63/68/542276368.db2.gz GUGNOFOBINHUDM-DOTOQJQBSA-N 2 2 269.392 3.151 10 0 CGAELP C[C@@H](C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1)c1ccccc1 ZINC000194642145 542276373 /nfs/dbraw/zinc/27/63/73/542276373.db2.gz GUGNOFOBINHUDM-DOTOQJQBSA-N 2 2 269.392 3.151 10 0 CGAELP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1c1nccs1 ZINC000163215532 392602891 /nfs/dbraw/zinc/60/28/91/392602891.db2.gz OXTSGZZUCSTCFC-ZIAGYGMSSA-N 2 2 279.453 3.154 10 0 CGAELP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1c1nccs1 ZINC000163215532 392602894 /nfs/dbraw/zinc/60/28/94/392602894.db2.gz OXTSGZZUCSTCFC-ZIAGYGMSSA-N 2 2 279.453 3.154 10 0 CGAELP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000163215532 392602897 /nfs/dbraw/zinc/60/28/97/392602897.db2.gz OXTSGZZUCSTCFC-ZIAGYGMSSA-N 2 2 279.453 3.154 10 0 CGAELP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000163215532 392602901 /nfs/dbraw/zinc/60/29/01/392602901.db2.gz OXTSGZZUCSTCFC-ZIAGYGMSSA-N 2 2 279.453 3.154 10 0 CGAELP CC(C)Oc1ccc([C@@H](C[NH3+])[N@H+](C)CC(C)(C)C)cc1 ZINC000020226588 171090830 /nfs/dbraw/zinc/09/08/30/171090830.db2.gz MZHVBQWHXSIPRR-MRXNPFEDSA-N 2 2 278.440 3.452 10 0 CGAELP CC(C)Oc1ccc([C@@H](C[NH3+])[N@@H+](C)CC(C)(C)C)cc1 ZINC000020226588 171090831 /nfs/dbraw/zinc/09/08/31/171090831.db2.gz MZHVBQWHXSIPRR-MRXNPFEDSA-N 2 2 278.440 3.452 10 0 CGAELP C[C@H](c1ccccc1C(F)(F)F)[NH+]1CCC([NH3+])CC1 ZINC000020521609 171234999 /nfs/dbraw/zinc/23/49/99/171234999.db2.gz JPVYUUOCTKKAGB-SNVBAGLBSA-N 2 2 272.314 3.190 10 0 CGAELP CCn1cc(C[NH2+]C[C@H]2CCC[N@@H+]2CC)c2ccccc21 ZINC000020968484 171282586 /nfs/dbraw/zinc/28/25/86/171282586.db2.gz DIBPVOVYBMAHRM-MRXNPFEDSA-N 2 2 285.435 3.235 10 0 CGAELP CCn1cc(C[NH2+]C[C@H]2CCC[N@H+]2CC)c2ccccc21 ZINC000020968484 171282588 /nfs/dbraw/zinc/28/25/88/171282588.db2.gz DIBPVOVYBMAHRM-MRXNPFEDSA-N 2 2 285.435 3.235 10 0 CGAELP C[C@@H]1CC(C)(C)C[C@@](C[NH3+])([NH+]2CCCCCC2)C1 ZINC000021517734 171314060 /nfs/dbraw/zinc/31/40/60/171314060.db2.gz IAHWNDIHHORADU-ZBFHGGJFSA-N 2 2 252.446 3.406 10 0 CGAELP C[N@H+]([C@@H](C[NH3+])c1ccc(F)cc1)C1CCCCC1 ZINC000022175483 171370392 /nfs/dbraw/zinc/37/03/92/171370392.db2.gz IADMEDIGHABCMJ-HNNXBMFYSA-N 2 2 250.361 3.090 10 0 CGAELP C[N@@H+]([C@@H](C[NH3+])c1ccc(F)cc1)C1CCCCC1 ZINC000022175483 171370393 /nfs/dbraw/zinc/37/03/93/171370393.db2.gz IADMEDIGHABCMJ-HNNXBMFYSA-N 2 2 250.361 3.090 10 0 CGAELP CC[NH+](CC)[C@@H](C[NH2+]C[C@H]1CCCCO1)c1ccccc1 ZINC000035151277 172014229 /nfs/dbraw/zinc/01/42/29/172014229.db2.gz SGUJDJXNKQATIV-MSOLQXFVSA-N 2 2 290.451 3.228 10 0 CGAELP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035275420 172095729 /nfs/dbraw/zinc/09/57/29/172095729.db2.gz IYQBQOGECHHNQA-JONQDZQNSA-N 2 2 261.413 3.220 10 0 CGAELP C[C@@H]1CCC[C@@](C[NH3+])([N@H+](C)Cc2ccsc2)C1 ZINC000035719090 172373592 /nfs/dbraw/zinc/37/35/92/172373592.db2.gz QSWALIJOQCYCQK-TZMCWYRMSA-N 2 2 252.427 3.088 10 0 CGAELP C[C@@H]1CCC[C@@](C[NH3+])([N@@H+](C)Cc2ccsc2)C1 ZINC000035719090 172373593 /nfs/dbraw/zinc/37/35/93/172373593.db2.gz QSWALIJOQCYCQK-TZMCWYRMSA-N 2 2 252.427 3.088 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]CCCc1ccccc1 ZINC000037166561 173000417 /nfs/dbraw/zinc/00/04/17/173000417.db2.gz RJOAXDZWLLRGQN-QGZVFWFLSA-N 2 2 262.441 3.185 10 0 CGAELP CCC[NH+](CCC)[C@H](C[NH3+])c1cc(F)ccc1F ZINC000037233525 173052655 /nfs/dbraw/zinc/05/26/55/173052655.db2.gz XUBQGYHYOXTKMM-CQSZACIVSA-N 2 2 256.340 3.087 10 0 CGAELP Clc1ccc(-c2c[nH]c(CC3CC[NH2+]CC3)[nH+]2)cc1 ZINC000038076108 174086324 /nfs/dbraw/zinc/08/63/24/174086324.db2.gz ZFXWTGCCTHYLJA-UHFFFAOYSA-N 2 2 275.783 3.272 10 0 CGAELP CCC[N@H+]([C@@H](C)c1cccc(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000071314759 176120853 /nfs/dbraw/zinc/12/08/53/176120853.db2.gz DCQRAZIYBYQVMR-WFASDCNBSA-N 2 2 266.816 3.475 10 0 CGAELP CCC[N@@H+]([C@@H](C)c1cccc(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000071314759 176120854 /nfs/dbraw/zinc/12/08/54/176120854.db2.gz DCQRAZIYBYQVMR-WFASDCNBSA-N 2 2 266.816 3.475 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)c2cc(C)cc(C)c2)C1 ZINC000130410866 287354470 /nfs/dbraw/zinc/35/44/70/287354470.db2.gz VWHSFZOQFDYOLY-DOTOQJQBSA-N 2 2 260.425 3.438 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)c2cc(C)cc(C)c2)C1 ZINC000130410866 287354474 /nfs/dbraw/zinc/35/44/74/287354474.db2.gz VWHSFZOQFDYOLY-DOTOQJQBSA-N 2 2 260.425 3.438 10 0 CGAELP CC(C)C[C@H](C)[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671381 270029784 /nfs/dbraw/zinc/02/97/84/270029784.db2.gz SJWPEZKNASDDIZ-WMZOPIPTSA-N 2 2 274.452 3.328 10 0 CGAELP CC(C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671381 270029785 /nfs/dbraw/zinc/02/97/85/270029785.db2.gz SJWPEZKNASDDIZ-WMZOPIPTSA-N 2 2 274.452 3.328 10 0 CGAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1ccc(Cl)cc1 ZINC000396707049 288015701 /nfs/dbraw/zinc/01/57/01/288015701.db2.gz KATKLUQGMUNCGN-COPLHBTASA-N 2 2 252.789 3.131 10 0 CGAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1ccc(Cl)s1 ZINC000396708577 288015822 /nfs/dbraw/zinc/01/58/22/288015822.db2.gz KXHPBTZKMDGSFX-KXUCPTDWSA-N 2 2 258.818 3.193 10 0 CGAELP CC(C)C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000226316222 279192684 /nfs/dbraw/zinc/19/26/84/279192684.db2.gz SIHPAZMZVTYLEI-IRXDYDNUSA-N 2 2 260.425 3.458 10 0 CGAELP CC(C)C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000226316222 279192685 /nfs/dbraw/zinc/19/26/85/279192685.db2.gz SIHPAZMZVTYLEI-IRXDYDNUSA-N 2 2 260.425 3.458 10 0 CGAELP CC(C)[NH2+]C[C@@H](C)[N@H+](C)Cc1cccc(Br)c1 ZINC000052545093 519723251 /nfs/dbraw/zinc/72/32/51/519723251.db2.gz IOHSJLNZNCZJHX-GFCCVEGCSA-N 2 2 299.256 3.267 10 0 CGAELP CC(C)[NH2+]C[C@@H](C)[N@@H+](C)Cc1cccc(Br)c1 ZINC000052545093 519723252 /nfs/dbraw/zinc/72/32/52/519723252.db2.gz IOHSJLNZNCZJHX-GFCCVEGCSA-N 2 2 299.256 3.267 10 0 CGAELP CC(C)[C@@H]1CC[C@@H]([NH3+])[C@H]([NH+]2CCCCCCC2)C1 ZINC000054554819 519803468 /nfs/dbraw/zinc/80/34/68/519803468.db2.gz FAJGYVAMVAJTHU-BZUAXINKSA-N 2 2 252.446 3.405 10 0 CGAELP CC(C)[C@H](C[NH+](C)C)[NH2+]Cc1ccc(Br)cc1 ZINC000049195038 519814591 /nfs/dbraw/zinc/81/45/91/519814591.db2.gz JLRJBZMRPBEOLT-AWEZNQCLSA-N 2 2 299.256 3.125 10 0 CGAELP CC(C)[C@H](C[NH2+]C1CC1)[N@H+](C)C1CCCCCC1 ZINC000052481965 519815813 /nfs/dbraw/zinc/81/58/13/519815813.db2.gz IGLPVQLGXHWTIH-INIZCTEOSA-N 2 2 252.446 3.418 10 0 CGAELP CC(C)[C@H](C[NH2+]C1CC1)[N@@H+](C)C1CCCCCC1 ZINC000052481965 519815814 /nfs/dbraw/zinc/81/58/14/519815814.db2.gz IGLPVQLGXHWTIH-INIZCTEOSA-N 2 2 252.446 3.418 10 0 CGAELP CC[C@@H](C[NH2+]CC(C)C)[N@H+](C)Cc1cccc(F)c1 ZINC000052425244 522547114 /nfs/dbraw/zinc/54/71/14/522547114.db2.gz ROSDQRPIHBKYRD-INIZCTEOSA-N 2 2 266.404 3.282 10 0 CGAELP CC[C@@H](C[NH2+]CC(C)C)[N@@H+](C)Cc1cccc(F)c1 ZINC000052425244 522547121 /nfs/dbraw/zinc/54/71/21/522547121.db2.gz ROSDQRPIHBKYRD-INIZCTEOSA-N 2 2 266.404 3.282 10 0 CGAELP Clc1ccccc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177100601 534649903 /nfs/dbraw/zinc/64/99/03/534649903.db2.gz NPRSRVOUSLBISH-AWEZNQCLSA-N 2 2 275.783 3.201 10 0 CGAELP Clc1ccccc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177100601 534649905 /nfs/dbraw/zinc/64/99/05/534649905.db2.gz NPRSRVOUSLBISH-AWEZNQCLSA-N 2 2 275.783 3.201 10 0 CGAELP CC[C@H]([NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccc(OC)cc1 ZINC000157728829 522722815 /nfs/dbraw/zinc/72/28/15/522722815.db2.gz RBTJBNGCYBMVEG-JCGIZDLHSA-N 2 2 290.451 3.465 10 0 CGAELP CC[C@H]([NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C)c1ccc(OC)cc1 ZINC000157728829 522722826 /nfs/dbraw/zinc/72/28/26/522722826.db2.gz RBTJBNGCYBMVEG-JCGIZDLHSA-N 2 2 290.451 3.465 10 0 CGAELP C[C@H](CC[NH+](C)C)[NH2+]Cc1c(Cl)cccc1Cl ZINC000049553438 524164833 /nfs/dbraw/zinc/16/48/33/524164833.db2.gz ATNVSRKGYWSSNM-SNVBAGLBSA-N 2 2 275.223 3.423 10 0 CGAELP C[C@](C[NH3+])(C1CC1)[NH+]1CCC2(CCCCC2)CC1 ZINC000061818801 525138015 /nfs/dbraw/zinc/13/80/15/525138015.db2.gz PDTHTYSJUUPXHY-HNNXBMFYSA-N 2 2 250.430 3.160 10 0 CGAELP Cc1cc(C)cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000188410259 542248124 /nfs/dbraw/zinc/24/81/24/542248124.db2.gz AQENNNPUVQXDHZ-QGZVFWFLSA-N 2 2 269.392 3.165 10 0 CGAELP Cc1cc(C)cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000188410259 542248126 /nfs/dbraw/zinc/24/81/26/542248126.db2.gz AQENNNPUVQXDHZ-QGZVFWFLSA-N 2 2 269.392 3.165 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H]1CCc2ccc(F)cc21 ZINC000178332088 189107796 /nfs/dbraw/zinc/10/77/96/189107796.db2.gz VTSKMNGCCQSBAE-FUHWJXTLSA-N 2 2 299.393 3.483 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H]1CCc2ccc(F)cc21 ZINC000178332088 189107797 /nfs/dbraw/zinc/10/77/97/189107797.db2.gz VTSKMNGCCQSBAE-FUHWJXTLSA-N 2 2 299.393 3.483 10 0 CGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)CC(C)(C)C1 ZINC000044685008 369265816 /nfs/dbraw/zinc/26/58/16/369265816.db2.gz AHZOBBCCLAFFNT-MCIONIFRSA-N 2 2 250.430 3.028 10 0 CGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)CC(C)(C)C1 ZINC000044685008 369265820 /nfs/dbraw/zinc/26/58/20/369265820.db2.gz AHZOBBCCLAFFNT-MCIONIFRSA-N 2 2 250.430 3.028 10 0 CGAELP COc1cccc([C@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000176912288 373641192 /nfs/dbraw/zinc/64/11/92/373641192.db2.gz XGPATIPEMBATDQ-WMLDXEAASA-N 2 2 299.418 3.426 10 0 CGAELP COc1cccc([C@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000176912288 373641199 /nfs/dbraw/zinc/64/11/99/373641199.db2.gz XGPATIPEMBATDQ-WMLDXEAASA-N 2 2 299.418 3.426 10 0 CGAELP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)C[C@H]1CC=CCC1 ZINC000328636191 374373547 /nfs/dbraw/zinc/37/35/47/374373547.db2.gz NXPVHZJPOYTZLQ-WDSOQIARSA-N 2 2 299.462 3.363 10 0 CGAELP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)C[C@H]1CC=CCC1 ZINC000328636191 374373555 /nfs/dbraw/zinc/37/35/55/374373555.db2.gz NXPVHZJPOYTZLQ-WDSOQIARSA-N 2 2 299.462 3.363 10 0 CGAELP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C[C@H]1CC=CCC1 ZINC000328636191 374373565 /nfs/dbraw/zinc/37/35/65/374373565.db2.gz NXPVHZJPOYTZLQ-WDSOQIARSA-N 2 2 299.462 3.363 10 0 CGAELP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C[C@H]1CC=CCC1 ZINC000328636191 374373571 /nfs/dbraw/zinc/37/35/71/374373571.db2.gz NXPVHZJPOYTZLQ-WDSOQIARSA-N 2 2 299.462 3.363 10 0 CGAELP ClC(Cl)(Cl)CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000184606211 374541194 /nfs/dbraw/zinc/54/11/94/374541194.db2.gz NVACNHSZCUEHEN-UHFFFAOYSA-N 2 2 296.629 3.280 10 0 CGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC000190821780 375541995 /nfs/dbraw/zinc/54/19/95/375541995.db2.gz GGWIMJOLPZERGM-HNNXBMFYSA-N 2 2 295.496 3.251 10 0 CGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC000190821780 375542007 /nfs/dbraw/zinc/54/20/07/375542007.db2.gz GGWIMJOLPZERGM-HNNXBMFYSA-N 2 2 295.496 3.251 10 0 CGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCC(C)C)C1 ZINC000190821780 375542015 /nfs/dbraw/zinc/54/20/15/375542015.db2.gz GGWIMJOLPZERGM-HNNXBMFYSA-N 2 2 295.496 3.251 10 0 CGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCC(C)C)C1 ZINC000190821780 375542021 /nfs/dbraw/zinc/54/20/21/375542021.db2.gz GGWIMJOLPZERGM-HNNXBMFYSA-N 2 2 295.496 3.251 10 0 CGAELP C[C@H](C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)[N@H+](C)C1CC1 ZINC000230656595 376525531 /nfs/dbraw/zinc/52/55/31/376525531.db2.gz INVSDEBPNUJZPL-MCIONIFRSA-N 2 2 252.446 3.274 10 0 CGAELP C[C@H](C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)[N@@H+](C)C1CC1 ZINC000230656595 376525537 /nfs/dbraw/zinc/52/55/37/376525537.db2.gz INVSDEBPNUJZPL-MCIONIFRSA-N 2 2 252.446 3.274 10 0 CGAELP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]4CCCC[C@H]43)cn2)c[nH+]1 ZINC000246455651 377032496 /nfs/dbraw/zinc/03/24/96/377032496.db2.gz VNDOHMZZUJGICF-DLBZAZTESA-N 2 2 296.418 3.422 10 0 CGAELP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]4CCCC[C@H]43)cn2)c[nH+]1 ZINC000246455651 377032508 /nfs/dbraw/zinc/03/25/08/377032508.db2.gz VNDOHMZZUJGICF-DLBZAZTESA-N 2 2 296.418 3.422 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)[C@H](C)c2ccc(OC)cc2)C1 ZINC000246923561 377119073 /nfs/dbraw/zinc/11/90/73/377119073.db2.gz GVIBFLOLQRAOLS-ZOBUZTSGSA-N 2 2 290.451 3.261 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)[C@H](C)c2ccc(OC)cc2)C1 ZINC000246923561 377119079 /nfs/dbraw/zinc/11/90/79/377119079.db2.gz GVIBFLOLQRAOLS-ZOBUZTSGSA-N 2 2 290.451 3.261 10 0 CGAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C[N@@H+]1C1CC1 ZINC000252712752 377654397 /nfs/dbraw/zinc/65/43/97/377654397.db2.gz NGQNSXDVTCBIKV-NDBYEHHHSA-N 2 2 290.373 3.322 10 0 CGAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C[N@H+]1C1CC1 ZINC000252712752 377654401 /nfs/dbraw/zinc/65/44/01/377654401.db2.gz NGQNSXDVTCBIKV-NDBYEHHHSA-N 2 2 290.373 3.322 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCc3ccc(OC)cc32)C1 ZINC000252571895 377638809 /nfs/dbraw/zinc/63/88/09/377638809.db2.gz BZDUVMLRJOAQHH-YJBOKZPZSA-N 2 2 288.435 3.147 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCCc3ccc(OC)cc32)C1 ZINC000252571895 377638817 /nfs/dbraw/zinc/63/88/17/377638817.db2.gz BZDUVMLRJOAQHH-YJBOKZPZSA-N 2 2 288.435 3.147 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(Cl)c(F)c2)C1 ZINC000389295869 379895866 /nfs/dbraw/zinc/89/58/66/379895866.db2.gz YPFVGMNPCWPHFP-CMPLNLGQSA-N 2 2 270.779 3.224 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(Cl)c(F)c2)C1 ZINC000389295869 379895871 /nfs/dbraw/zinc/89/58/71/379895871.db2.gz YPFVGMNPCWPHFP-CMPLNLGQSA-N 2 2 270.779 3.224 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C)c3ccccc32)C1 ZINC000389475484 379898058 /nfs/dbraw/zinc/89/80/58/379898058.db2.gz WBYSTZSBBUXULZ-KEYYUXOJSA-N 2 2 258.409 3.309 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C)c3ccccc32)C1 ZINC000389475484 379898067 /nfs/dbraw/zinc/89/80/67/379898067.db2.gz WBYSTZSBBUXULZ-KEYYUXOJSA-N 2 2 258.409 3.309 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cnc3ccsc3c2)C1 ZINC000389478203 379901212 /nfs/dbraw/zinc/90/12/12/379901212.db2.gz WSLLRBXOJKIQFN-WCQYABFASA-N 2 2 275.421 3.041 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cnc3ccsc3c2)C1 ZINC000389478203 379901214 /nfs/dbraw/zinc/90/12/14/379901214.db2.gz WSLLRBXOJKIQFN-WCQYABFASA-N 2 2 275.421 3.041 10 0 CGAELP C(=C\c1ccccc1)\C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000255102469 542353283 /nfs/dbraw/zinc/35/32/83/542353283.db2.gz FDNISPIATCKVKM-RLXIPRIJSA-N 2 2 267.376 3.061 10 0 CGAELP C(=C\c1ccccc1)\C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000255102469 542353285 /nfs/dbraw/zinc/35/32/85/542353285.db2.gz FDNISPIATCKVKM-RLXIPRIJSA-N 2 2 267.376 3.061 10 0 CGAELP CC(C)=CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000191980121 130343479 /nfs/dbraw/zinc/34/34/79/130343479.db2.gz KLOZYKSRSOUSHZ-HNNXBMFYSA-N 2 2 293.480 3.171 10 0 CGAELP CC(C)=CC[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000191980121 130343481 /nfs/dbraw/zinc/34/34/81/130343481.db2.gz KLOZYKSRSOUSHZ-HNNXBMFYSA-N 2 2 293.480 3.171 10 0 CGAELP CC(C)=CC[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000191980121 130343483 /nfs/dbraw/zinc/34/34/83/130343483.db2.gz KLOZYKSRSOUSHZ-HNNXBMFYSA-N 2 2 293.480 3.171 10 0 CGAELP CC(C)=CC[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000191980121 130343485 /nfs/dbraw/zinc/34/34/85/130343485.db2.gz KLOZYKSRSOUSHZ-HNNXBMFYSA-N 2 2 293.480 3.171 10 0 CGAELP C[C@H]1C[C@H](C)C[NH+]([C@@H](C[NH3+])c2ccc(OC(F)F)cc2)C1 ZINC000022214451 171375154 /nfs/dbraw/zinc/37/51/54/171375154.db2.gz GORFXAKUQZSOHN-HUBLWGQQSA-N 2 2 298.377 3.266 10 0 CGAELP C[N@H+](Cc1ccsc1)[C@H](C[NH3+])C1CCCCC1 ZINC000035718758 172373349 /nfs/dbraw/zinc/37/33/49/172373349.db2.gz IDJMAFKEMYBZMW-CQSZACIVSA-N 2 2 252.427 3.088 10 0 CGAELP C[N@@H+](Cc1ccsc1)[C@H](C[NH3+])C1CCCCC1 ZINC000035718758 172373351 /nfs/dbraw/zinc/37/33/51/172373351.db2.gz IDJMAFKEMYBZMW-CQSZACIVSA-N 2 2 252.427 3.088 10 0 CGAELP CC(C)Oc1ccc([C@@H](C[NH3+])[NH+]2CCC(C)CC2)cc1 ZINC000038983682 174161273 /nfs/dbraw/zinc/16/12/73/174161273.db2.gz GHVISBITGUBFAG-QGZVFWFLSA-N 2 2 276.424 3.206 10 0 CGAELP CCCOc1ccc([C@H](C[NH3+])[NH+]2CCCCCC2)cc1 ZINC000039795082 174173651 /nfs/dbraw/zinc/17/36/51/174173651.db2.gz IJLFYBXDSAIHBI-KRWDZBQOSA-N 2 2 276.424 3.351 10 0 CGAELP CCc1[nH+]c2ccccc2n1CCC[NH+](CC)CC ZINC000040389521 174252137 /nfs/dbraw/zinc/25/21/37/174252137.db2.gz RYIWYDIKOPJVID-UHFFFAOYSA-N 2 2 259.397 3.331 10 0 CGAELP CC(C)[N@H+](CC1CC1)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000042580002 174805076 /nfs/dbraw/zinc/80/50/76/174805076.db2.gz JEQICWYMRDOZRM-HNNXBMFYSA-N 2 2 266.816 3.460 10 0 CGAELP CC(C)[N@@H+](CC1CC1)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000042580002 174805077 /nfs/dbraw/zinc/80/50/77/174805077.db2.gz JEQICWYMRDOZRM-HNNXBMFYSA-N 2 2 266.816 3.460 10 0 CGAELP C[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000044561478 175204859 /nfs/dbraw/zinc/20/48/59/175204859.db2.gz VXBRGVLVPXOHOJ-DOTOQJQBSA-N 2 2 258.409 3.138 10 0 CGAELP C[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000044561478 175204860 /nfs/dbraw/zinc/20/48/60/175204860.db2.gz VXBRGVLVPXOHOJ-DOTOQJQBSA-N 2 2 258.409 3.138 10 0 CGAELP COc1ccc([C@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000037167127 270028925 /nfs/dbraw/zinc/02/89/25/270028925.db2.gz UAZVALKDDXIPDG-HOCLYGCPSA-N 2 2 278.440 3.322 10 0 CGAELP CC(C)(C)C1CCC(C[N@@H+]2CCC[NH2+]CC2)CC1 ZINC000126679505 278300572 /nfs/dbraw/zinc/30/05/72/278300572.db2.gz GFIZMDUMSHNLFI-UHFFFAOYSA-N 2 2 252.446 3.134 10 0 CGAELP CC(C)(C)C1CCC(C[N@H+]2CCC[NH2+]CC2)CC1 ZINC000126679505 278300574 /nfs/dbraw/zinc/30/05/74/278300574.db2.gz GFIZMDUMSHNLFI-UHFFFAOYSA-N 2 2 252.446 3.134 10 0 CGAELP CC(C)(C)[NH2+]Cc1cc(F)c(-n2cc[nH+]c2)c(F)c1 ZINC000062738550 518764520 /nfs/dbraw/zinc/76/45/20/518764520.db2.gz OCHIUFZDQXCSKD-UHFFFAOYSA-N 2 2 265.307 3.039 10 0 CGAELP CC[C@@H](C)[N@H+](CC)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062709856 522085812 /nfs/dbraw/zinc/08/58/12/522085812.db2.gz POOYOTGDBKFALB-RNCFNFMXSA-N 2 2 274.330 3.224 10 0 CGAELP CC[C@@H](C)[N@@H+](CC)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062709856 522085818 /nfs/dbraw/zinc/08/58/18/522085818.db2.gz POOYOTGDBKFALB-RNCFNFMXSA-N 2 2 274.330 3.224 10 0 CGAELP CC(C)[C@@H]1C[N@H+](Cc2ccccc2Cl)CCC[NH2+]1 ZINC000062663567 519804692 /nfs/dbraw/zinc/80/46/92/519804692.db2.gz FINSQQLKJGHXME-HNNXBMFYSA-N 2 2 266.816 3.160 10 0 CGAELP CC(C)[C@@H]1C[N@@H+](Cc2ccccc2Cl)CCC[NH2+]1 ZINC000062663567 519804693 /nfs/dbraw/zinc/80/46/93/519804693.db2.gz FINSQQLKJGHXME-HNNXBMFYSA-N 2 2 266.816 3.160 10 0 CGAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000049196627 519814926 /nfs/dbraw/zinc/81/49/26/519814926.db2.gz DUNBMDWGIJFOHR-ILXRZTDVSA-N 2 2 254.462 3.377 10 0 CGAELP CCC[NH2+]C[C@H](C)[N@H+](C)Cc1ccc(Br)cc1 ZINC000052371716 519932060 /nfs/dbraw/zinc/93/20/60/519932060.db2.gz ZPAPUXOLNSCPEX-LBPRGKRZSA-N 2 2 299.256 3.269 10 0 CGAELP CCC[NH2+]C[C@H](C)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000052371716 519932069 /nfs/dbraw/zinc/93/20/69/519932069.db2.gz ZPAPUXOLNSCPEX-LBPRGKRZSA-N 2 2 299.256 3.269 10 0 CGAELP Cc1[nH+]c(C)n2c1[C@H](CCc1ccc(C)cc1C)[NH2+]CC2 ZINC000114153432 345963836 /nfs/dbraw/zinc/96/38/36/345963836.db2.gz RIKSIGXHAPRYJB-KRWDZBQOSA-N 2 2 283.419 3.394 10 0 CGAELP CCOc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000119392618 345993141 /nfs/dbraw/zinc/99/31/41/345993141.db2.gz SZFCRVRQXCBGLL-MPGHIAIKSA-N 2 2 290.451 3.465 10 0 CGAELP CCOc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000119392618 345993142 /nfs/dbraw/zinc/99/31/42/345993142.db2.gz SZFCRVRQXCBGLL-MPGHIAIKSA-N 2 2 290.451 3.465 10 0 CGAELP Cc1[nH]c2ccc(-c3ccc4c(c3)C[NH2+]CCO4)cc2[nH+]1 ZINC000114717106 345966882 /nfs/dbraw/zinc/96/68/82/345966882.db2.gz YERYWDPECZALGQ-UHFFFAOYSA-N 2 2 279.343 3.020 10 0 CGAELP Cc1[nH]c2cc(-c3ccc4c(c3)C[NH2+]CCO4)ccc2[nH+]1 ZINC000114717106 345966888 /nfs/dbraw/zinc/96/68/88/345966888.db2.gz YERYWDPECZALGQ-UHFFFAOYSA-N 2 2 279.343 3.020 10 0 CGAELP c1[nH]cc(CC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)[nH+]1 ZINC000141724793 346109093 /nfs/dbraw/zinc/10/90/93/346109093.db2.gz LDOHAXPAOAYGTO-KRWDZBQOSA-N 2 2 269.392 3.397 10 0 CGAELP c1[nH]cc(CC[C@@H]2CCCC[N@H+]2Cc2ccccc2)[nH+]1 ZINC000141724793 346109097 /nfs/dbraw/zinc/10/90/97/346109097.db2.gz LDOHAXPAOAYGTO-KRWDZBQOSA-N 2 2 269.392 3.397 10 0 CGAELP Nc1cc([C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000616652871 348856646 /nfs/dbraw/zinc/85/66/46/348856646.db2.gz IFSOJCAJECZTSH-QGZVFWFLSA-N 2 2 281.403 3.264 10 0 CGAELP Nc1cc([C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000616652871 348856647 /nfs/dbraw/zinc/85/66/47/348856647.db2.gz IFSOJCAJECZTSH-QGZVFWFLSA-N 2 2 281.403 3.264 10 0 CGAELP CC1(C[NH2+]C[C@H]2[NH2+]CCc3ccccc32)CCCC1 ZINC000104435063 186001487 /nfs/dbraw/zinc/00/14/87/186001487.db2.gz OHQCMHCBSCSQNP-MRXNPFEDSA-N 2 2 258.409 3.043 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000122849260 187055552 /nfs/dbraw/zinc/05/55/52/187055552.db2.gz DTLPISRGPADXSF-JKSUJKDBSA-N 2 2 273.424 3.439 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000122849260 187055553 /nfs/dbraw/zinc/05/55/53/187055553.db2.gz DTLPISRGPADXSF-JKSUJKDBSA-N 2 2 273.424 3.439 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CCc2cccc(C)c2)C1 ZINC000040503022 369159692 /nfs/dbraw/zinc/15/96/92/369159692.db2.gz NXGUOQJXUXFKJH-FUHWJXTLSA-N 2 2 274.452 3.390 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CCc2cccc(C)c2)C1 ZINC000040503022 369159694 /nfs/dbraw/zinc/15/96/94/369159694.db2.gz NXGUOQJXUXFKJH-FUHWJXTLSA-N 2 2 274.452 3.390 10 0 CGAELP CCc1c(C)[nH+]c(-c2ccccc2)nc1NC1CC[NH2+]CC1 ZINC000070451685 369799140 /nfs/dbraw/zinc/79/91/40/369799140.db2.gz SBSSYQWNAYJGAP-UHFFFAOYSA-N 2 2 296.418 3.178 10 0 CGAELP Cc1ccc(-c2nc(NCC3CC[NH2+]CC3)cc(C)[nH+]2)cc1 ZINC000070455984 369800715 /nfs/dbraw/zinc/80/07/15/369800715.db2.gz XNAXVRXKAGQHLM-UHFFFAOYSA-N 2 2 296.418 3.172 10 0 CGAELP C[C@@H]([NH2+][C@@H](C)c1cccc(Br)c1)[C@H]1CCC[NH2+]1 ZINC000400362528 296150993 /nfs/dbraw/zinc/15/09/93/296150993.db2.gz QKTIBAGCYUHIPH-MISXGVKJSA-N 2 2 297.240 3.240 10 0 CGAELP c1cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cs1 ZINC000092812917 370104266 /nfs/dbraw/zinc/10/42/66/370104266.db2.gz SXYXDCASXZOJIE-ZDUSSCGKSA-N 2 2 273.405 3.077 10 0 CGAELP c1cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cs1 ZINC000092812917 370104269 /nfs/dbraw/zinc/10/42/69/370104269.db2.gz SXYXDCASXZOJIE-ZDUSSCGKSA-N 2 2 273.405 3.077 10 0 CGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC000190821795 375543000 /nfs/dbraw/zinc/54/30/00/375543000.db2.gz GGWIMJOLPZERGM-OAHLLOKOSA-N 2 2 295.496 3.251 10 0 CGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCC(C)C)C1 ZINC000190821795 375543003 /nfs/dbraw/zinc/54/30/03/375543003.db2.gz GGWIMJOLPZERGM-OAHLLOKOSA-N 2 2 295.496 3.251 10 0 CGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCC(C)C)C1 ZINC000190821795 375543006 /nfs/dbraw/zinc/54/30/06/375543006.db2.gz GGWIMJOLPZERGM-OAHLLOKOSA-N 2 2 295.496 3.251 10 0 CGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCC(C)C)C1 ZINC000190821795 375543010 /nfs/dbraw/zinc/54/30/10/375543010.db2.gz GGWIMJOLPZERGM-OAHLLOKOSA-N 2 2 295.496 3.251 10 0 CGAELP [NH3+]C[C@H]1CC[C@@H](Nc2ccc3ccccc3[nH+]2)CC1 ZINC000146299939 542096543 /nfs/dbraw/zinc/09/65/43/542096543.db2.gz CIYGVQBEIBGIDX-MQMHXKEQSA-N 2 2 255.365 3.164 10 0 CGAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000151843773 542104455 /nfs/dbraw/zinc/10/44/55/542104455.db2.gz PLNFAYIFJAFDPG-JLZZUVOBSA-N 2 2 276.399 3.131 10 0 CGAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000151843773 542104458 /nfs/dbraw/zinc/10/44/58/542104458.db2.gz PLNFAYIFJAFDPG-JLZZUVOBSA-N 2 2 276.399 3.131 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000245704680 376884604 /nfs/dbraw/zinc/88/46/04/376884604.db2.gz DTLPISRGPADXSF-CVEARBPZSA-N 2 2 273.424 3.439 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000245704680 376884612 /nfs/dbraw/zinc/88/46/12/376884612.db2.gz DTLPISRGPADXSF-CVEARBPZSA-N 2 2 273.424 3.439 10 0 CGAELP CSc1ccc([C@@H](C[NH3+])[N@@H+]2CCCC[C@H]2C)cc1 ZINC000252182569 377617583 /nfs/dbraw/zinc/61/75/83/377617583.db2.gz QGKPXONURACXJE-IUODEOHRSA-N 2 2 264.438 3.283 10 0 CGAELP CSc1ccc([C@@H](C[NH3+])[N@H+]2CCCC[C@H]2C)cc1 ZINC000252182569 377617586 /nfs/dbraw/zinc/61/75/86/377617586.db2.gz QGKPXONURACXJE-IUODEOHRSA-N 2 2 264.438 3.283 10 0 CGAELP Cc1n[nH]cc1[C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180671474 542213745 /nfs/dbraw/zinc/21/37/45/542213745.db2.gz JJXIYASQWIPBTR-OLZOCXBDSA-N 2 2 295.390 3.316 10 0 CGAELP CCc1ccc([C@H](C[NH3+])[N@H+](C)CCc2ccccc2)cc1 ZINC000020225737 171090093 /nfs/dbraw/zinc/09/00/93/171090093.db2.gz MJVORCBLBQBNEP-IBGZPJMESA-N 2 2 282.431 3.423 10 0 CGAELP CCc1ccc([C@H](C[NH3+])[N@@H+](C)CCc2ccccc2)cc1 ZINC000020225737 171090094 /nfs/dbraw/zinc/09/00/94/171090094.db2.gz MJVORCBLBQBNEP-IBGZPJMESA-N 2 2 282.431 3.423 10 0 CGAELP CC(C)Oc1cccc([C@@H](C[NH3+])[N@H+](C)CC(C)(C)C)c1 ZINC000020226652 171092345 /nfs/dbraw/zinc/09/23/45/171092345.db2.gz BOIKCXLGEOQVCS-MRXNPFEDSA-N 2 2 278.440 3.452 10 0 CGAELP CC(C)Oc1cccc([C@@H](C[NH3+])[N@@H+](C)CC(C)(C)C)c1 ZINC000020226652 171092347 /nfs/dbraw/zinc/09/23/47/171092347.db2.gz BOIKCXLGEOQVCS-MRXNPFEDSA-N 2 2 278.440 3.452 10 0 CGAELP C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)[NH+]1CCCCCCC1 ZINC000020266186 171122779 /nfs/dbraw/zinc/12/27/79/171122779.db2.gz RGJQRXKDLHBJKK-JYJNAYRXSA-N 2 2 250.430 3.173 10 0 CGAELP CCC1CCC(C[NH3+])([N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000020557461 171250469 /nfs/dbraw/zinc/25/04/69/171250469.db2.gz UORMDBUNRHXFKM-PJPHBNEVSA-N 2 2 252.446 3.262 10 0 CGAELP CCC1CCC(C[NH3+])([N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000020557461 171250470 /nfs/dbraw/zinc/25/04/70/171250470.db2.gz UORMDBUNRHXFKM-PJPHBNEVSA-N 2 2 252.446 3.262 10 0 CGAELP CCc1ccc([C@H]([NH3+])C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000021503742 171306908 /nfs/dbraw/zinc/30/69/08/171306908.db2.gz AUEWDBGKBUSOMR-LJQANCHMSA-N 2 2 280.415 3.307 10 0 CGAELP CCc1ccc([C@H]([NH3+])C[N@H+]2CCc3ccccc3C2)cc1 ZINC000021503742 171306910 /nfs/dbraw/zinc/30/69/10/171306910.db2.gz AUEWDBGKBUSOMR-LJQANCHMSA-N 2 2 280.415 3.307 10 0 CGAELP CCC[NH+](CCC)[C@H](C[NH3+])c1ccc(OC(F)F)cc1 ZINC000022177133 171370892 /nfs/dbraw/zinc/37/08/92/171370892.db2.gz KWMNJFBOZIOFMP-CQSZACIVSA-N 2 2 286.366 3.410 10 0 CGAELP [NH3+][C@H](Cc1ccccc1)[C@@H](c1ccccc1)n1cc[nH+]c1 ZINC000022565198 171391752 /nfs/dbraw/zinc/39/17/52/171391752.db2.gz FNZASKVUDGTAEV-QZTJIDSGSA-N 2 2 277.371 3.043 10 0 CGAELP CC[C@@H](c1ccc(Br)cc1)[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC000071309411 176116937 /nfs/dbraw/zinc/11/69/37/176116937.db2.gz MEOSRQKFCWWEEB-KGLIPLIRSA-N 2 2 297.240 3.194 10 0 CGAELP CC[C@@H](c1ccc(Br)cc1)[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC000071309411 176116938 /nfs/dbraw/zinc/11/69/38/176116938.db2.gz MEOSRQKFCWWEEB-KGLIPLIRSA-N 2 2 297.240 3.194 10 0 CGAELP Cc1[nH+]cc(C[NH2+][C@@H](C)c2cccc(Cl)c2)n1C ZINC000657287712 419243106 /nfs/dbraw/zinc/24/31/06/419243106.db2.gz STRZUWXNFLLCHV-JTQLQIEISA-N 2 2 263.772 3.233 10 0 CGAELP C[C@@H]([NH2+][C@@H](C)c1cnccn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151686244 287519757 /nfs/dbraw/zinc/51/97/57/287519757.db2.gz LDVQPIPMDXEGEK-KGLIPLIRSA-N 2 2 293.374 3.074 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C/C=C\c1ccccc1 ZINC000220549146 270086007 /nfs/dbraw/zinc/08/60/07/270086007.db2.gz WQRJFHDOHKWYDU-SDMNGIDPSA-N 2 2 260.425 3.266 10 0 CGAELP CC(C)n1cc[nH+]c1Cn1c[nH+]c2c1C[C@@H](C)[C@@H](C)C2 ZINC000296140759 276086421 /nfs/dbraw/zinc/08/64/21/276086421.db2.gz ZRPLKIACAHAQHX-QWHCGFSZSA-N 2 2 272.396 3.080 10 0 CGAELP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1c1nccs1 ZINC000245625767 277060211 /nfs/dbraw/zinc/06/02/11/277060211.db2.gz OXTSGZZUCSTCFC-KGLIPLIRSA-N 2 2 279.453 3.154 10 0 CGAELP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1c1nccs1 ZINC000245625767 277060212 /nfs/dbraw/zinc/06/02/12/277060212.db2.gz OXTSGZZUCSTCFC-KGLIPLIRSA-N 2 2 279.453 3.154 10 0 CGAELP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000245625767 277060213 /nfs/dbraw/zinc/06/02/13/277060213.db2.gz OXTSGZZUCSTCFC-KGLIPLIRSA-N 2 2 279.453 3.154 10 0 CGAELP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@H]1c1nccs1 ZINC000245625767 277060214 /nfs/dbraw/zinc/06/02/14/277060214.db2.gz OXTSGZZUCSTCFC-KGLIPLIRSA-N 2 2 279.453 3.154 10 0 CGAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1ccc(Cl)s1 ZINC000396708578 288015773 /nfs/dbraw/zinc/01/57/73/288015773.db2.gz KXHPBTZKMDGSFX-LPEHRKFASA-N 2 2 258.818 3.193 10 0 CGAELP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000400362522 278268475 /nfs/dbraw/zinc/26/84/75/278268475.db2.gz QKTIBAGCYUHIPH-COPLHBTASA-N 2 2 297.240 3.240 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCOc3ccc(C)cc32)C1 ZINC000247146946 279295476 /nfs/dbraw/zinc/29/54/76/279295476.db2.gz SQTUTUYAOJPLSB-WBVHZDCISA-N 2 2 288.435 3.283 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCOc3ccc(C)cc32)C1 ZINC000247146946 279295478 /nfs/dbraw/zinc/29/54/78/279295478.db2.gz SQTUTUYAOJPLSB-WBVHZDCISA-N 2 2 288.435 3.283 10 0 CGAELP CC(C)[NH2+]C[C@H](C(C)C)[N@H+](C)Cc1ccsc1 ZINC000052457029 519724196 /nfs/dbraw/zinc/72/41/96/519724196.db2.gz JRWFJJVXSJTMEG-CQSZACIVSA-N 2 2 254.443 3.203 10 0 CGAELP CC(C)[NH2+]C[C@H](C(C)C)[N@@H+](C)Cc1ccsc1 ZINC000052457029 519724198 /nfs/dbraw/zinc/72/41/98/519724198.db2.gz JRWFJJVXSJTMEG-CQSZACIVSA-N 2 2 254.443 3.203 10 0 CGAELP CCC[NH2+][C@@H]1CCCC[C@H]1[NH+]1CCC(C)(C)CC1 ZINC000061819880 520020160 /nfs/dbraw/zinc/02/01/60/520020160.db2.gz RWMYRGBJTSJXJQ-HUUCEWRRSA-N 2 2 252.446 3.419 10 0 CGAELP CCCCC[N@@H+]1CCC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000062657672 520180690 /nfs/dbraw/zinc/18/06/90/520180690.db2.gz DVPSYONCYSOJCR-KRWDZBQOSA-N 2 2 260.425 3.083 10 0 CGAELP CCCCC[N@H+]1CCC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000062657672 520180700 /nfs/dbraw/zinc/18/07/00/520180700.db2.gz DVPSYONCYSOJCR-KRWDZBQOSA-N 2 2 260.425 3.083 10 0 CGAELP CCc1[nH+]c2ccccc2n1[C@@H](C[NH3+])c1cccs1 ZINC000062807259 522507997 /nfs/dbraw/zinc/50/79/97/522507997.db2.gz WPBDCDMCOALEDD-ZDUSSCGKSA-N 2 2 271.389 3.208 10 0 CGAELP CC1(C)CCC[C@H]1[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000094321868 535309496 /nfs/dbraw/zinc/30/94/96/535309496.db2.gz YYFDUCBVSBPQNA-QZTJIDSGSA-N 2 2 286.463 3.472 10 0 CGAELP CC1(C)CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000094321868 535309498 /nfs/dbraw/zinc/30/94/98/535309498.db2.gz YYFDUCBVSBPQNA-QZTJIDSGSA-N 2 2 286.463 3.472 10 0 CGAELP C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1cccc(-n2cc[nH+]c2)c1 ZINC000902812286 621461971 /nfs/dbraw/zinc/46/19/71/621461971.db2.gz RFDPRGXBQAVKMB-QILLFSRXSA-N 2 2 299.418 3.074 10 0 CGAELP C[C@@H]([NH2+]Cc1ccc(F)nc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189133377 640170207 /nfs/dbraw/zinc/17/02/07/640170207.db2.gz QDHGFLCICUHQTR-CYBMUJFWSA-N 2 2 296.349 3.257 10 0 CGAELP CC[C@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)c1cccc(F)c1 ZINC000166538376 529656500 /nfs/dbraw/zinc/65/65/00/529656500.db2.gz MTHLYVKGJLETPC-CVEARBPZSA-N 2 2 264.388 3.351 10 0 CGAELP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)c1cccc(F)c1 ZINC000166538376 529656501 /nfs/dbraw/zinc/65/65/01/529656501.db2.gz MTHLYVKGJLETPC-CVEARBPZSA-N 2 2 264.388 3.351 10 0 CGAELP Nc1ccc([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)c[nH+]1 ZINC000616609609 348844475 /nfs/dbraw/zinc/84/44/75/348844475.db2.gz DTGDLVIFQQGUJT-MRXNPFEDSA-N 2 2 281.403 3.264 10 0 CGAELP Nc1ccc([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)c[nH+]1 ZINC000616609609 348844477 /nfs/dbraw/zinc/84/44/77/348844477.db2.gz DTGDLVIFQQGUJT-MRXNPFEDSA-N 2 2 281.403 3.264 10 0 CGAELP [NH3+]CC[N@@H+]1CCCCC[C@H]1c1cccc(Cl)c1 ZINC000616624606 348850235 /nfs/dbraw/zinc/85/02/35/348850235.db2.gz CLJYEEOYHNRQJB-AWEZNQCLSA-N 2 2 252.789 3.216 10 0 CGAELP [NH3+]CC[N@H+]1CCCCC[C@H]1c1cccc(Cl)c1 ZINC000616624606 348850236 /nfs/dbraw/zinc/85/02/36/348850236.db2.gz CLJYEEOYHNRQJB-AWEZNQCLSA-N 2 2 252.789 3.216 10 0 CGAELP [NH3+]CC[N@@H+]1CCCCC[C@H]1c1cncc2ccccc21 ZINC000616629738 348852302 /nfs/dbraw/zinc/85/23/02/348852302.db2.gz LYPOBQQPPNRZTD-KRWDZBQOSA-N 2 2 269.392 3.111 10 0 CGAELP [NH3+]CC[N@H+]1CCCCC[C@H]1c1cncc2ccccc21 ZINC000616629738 348852305 /nfs/dbraw/zinc/85/23/05/348852305.db2.gz LYPOBQQPPNRZTD-KRWDZBQOSA-N 2 2 269.392 3.111 10 0 CGAELP CCc1ccc([C@H]2CCCC[N@@H+]2Cc2c[nH+]cn2C)o1 ZINC000177128254 189030825 /nfs/dbraw/zinc/03/08/25/189030825.db2.gz PXIWGEIWGDOYRA-OAHLLOKOSA-N 2 2 273.380 3.303 10 0 CGAELP CCc1ccc([C@H]2CCCC[N@H+]2Cc2c[nH+]cn2C)o1 ZINC000177128254 189030826 /nfs/dbraw/zinc/03/08/26/189030826.db2.gz PXIWGEIWGDOYRA-OAHLLOKOSA-N 2 2 273.380 3.303 10 0 CGAELP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cccc2c1OC(C)(C)C2 ZINC000080510010 296023873 /nfs/dbraw/zinc/02/38/73/296023873.db2.gz RWACXXOURBXMGC-CJNGLKHVSA-N 2 2 288.435 3.102 10 0 CGAELP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cccc2c1OC(C)(C)C2 ZINC000080510010 296023875 /nfs/dbraw/zinc/02/38/75/296023875.db2.gz RWACXXOURBXMGC-CJNGLKHVSA-N 2 2 288.435 3.102 10 0 CGAELP COCc1cccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000179227962 189179524 /nfs/dbraw/zinc/17/95/24/189179524.db2.gz CZISACDYOZXMDJ-GOSISDBHSA-N 2 2 299.418 3.003 10 0 CGAELP COCc1cccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000179227962 189179525 /nfs/dbraw/zinc/17/95/25/189179525.db2.gz CZISACDYOZXMDJ-GOSISDBHSA-N 2 2 299.418 3.003 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000180133018 189238680 /nfs/dbraw/zinc/23/86/80/189238680.db2.gz JNKKJDMKAAYSDR-MRXNPFEDSA-N 2 2 294.402 3.337 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccc2[nH]ccc21 ZINC000180133018 189238681 /nfs/dbraw/zinc/23/86/81/189238681.db2.gz JNKKJDMKAAYSDR-MRXNPFEDSA-N 2 2 294.402 3.337 10 0 CGAELP C[C@@H](c1ccc(-c2ccc(N)[nH+]c2)cc1)[NH+]1CCCC1 ZINC000032573332 368936204 /nfs/dbraw/zinc/93/62/04/368936204.db2.gz KAUMNYBQMXRVJW-ZDUSSCGKSA-N 2 2 267.376 3.488 10 0 CGAELP CC[C@@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)c1ccc(OC)cc1 ZINC000040502308 369158402 /nfs/dbraw/zinc/15/84/02/369158402.db2.gz XCAVGJKKFOQTTL-NVXWUHKLSA-N 2 2 276.424 3.220 10 0 CGAELP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)c1ccc(OC)cc1 ZINC000040502308 369158404 /nfs/dbraw/zinc/15/84/04/369158404.db2.gz XCAVGJKKFOQTTL-NVXWUHKLSA-N 2 2 276.424 3.220 10 0 CGAELP CCc1c(C)[nH+]c(-c2ccccc2)nc1N[C@H]1CCC[NH2+]C1 ZINC000070456408 369801131 /nfs/dbraw/zinc/80/11/31/369801131.db2.gz AGXPQJATCLAQPS-HNNXBMFYSA-N 2 2 296.418 3.178 10 0 CGAELP Cc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)s1 ZINC000092812545 370103049 /nfs/dbraw/zinc/10/30/49/370103049.db2.gz AWPLGJAJJXBDMU-AWEZNQCLSA-N 2 2 287.432 3.386 10 0 CGAELP Cc1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)s1 ZINC000092812545 370103053 /nfs/dbraw/zinc/10/30/53/370103053.db2.gz AWPLGJAJJXBDMU-AWEZNQCLSA-N 2 2 287.432 3.386 10 0 CGAELP Cc1cccc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)[nH+]1 ZINC000132237863 371161067 /nfs/dbraw/zinc/16/10/67/371161067.db2.gz VXXFEYVDFCVNFE-OAHLLOKOSA-N 2 2 259.397 3.066 10 0 CGAELP Cc1cccc(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)[nH+]1 ZINC000132237863 371161069 /nfs/dbraw/zinc/16/10/69/371161069.db2.gz VXXFEYVDFCVNFE-OAHLLOKOSA-N 2 2 259.397 3.066 10 0 CGAELP CCc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)C(C)C ZINC000062808221 541886913 /nfs/dbraw/zinc/88/69/13/541886913.db2.gz LMPKAUWOTQIPSO-ZDUSSCGKSA-N 2 2 259.397 3.233 10 0 CGAELP CCC[C@@H](C)[NH2+]CCn1c(CC)[nH+]c2ccccc21 ZINC000062808145 541887414 /nfs/dbraw/zinc/88/74/14/541887414.db2.gz XDDKLVJVHHMKQQ-CYBMUJFWSA-N 2 2 259.397 3.377 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(C)c(C)c1 ZINC000180129735 373968395 /nfs/dbraw/zinc/96/83/95/373968395.db2.gz ORGUUBVXWJNWDG-SFHVURJKSA-N 2 2 283.419 3.473 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(C)c(C)c1 ZINC000180129735 373968397 /nfs/dbraw/zinc/96/83/97/373968397.db2.gz ORGUUBVXWJNWDG-SFHVURJKSA-N 2 2 283.419 3.473 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1C ZINC000180239468 373981250 /nfs/dbraw/zinc/98/12/50/373981250.db2.gz GCFVOMDAVNZJDI-KRWDZBQOSA-N 2 2 287.382 3.304 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1C ZINC000180239468 373981258 /nfs/dbraw/zinc/98/12/58/373981258.db2.gz GCFVOMDAVNZJDI-KRWDZBQOSA-N 2 2 287.382 3.304 10 0 CGAELP COc1ccc([C@H]2C[C@H](C)[N@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000183180318 374382944 /nfs/dbraw/zinc/38/29/44/374382944.db2.gz HPARXYTXXYNSKR-RDJZCZTQSA-N 2 2 299.418 3.160 10 0 CGAELP COc1ccc([C@H]2C[C@H](C)[N@@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000183180318 374382947 /nfs/dbraw/zinc/38/29/47/374382947.db2.gz HPARXYTXXYNSKR-RDJZCZTQSA-N 2 2 299.418 3.160 10 0 CGAELP Cc1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(C)n1 ZINC000187065948 374964060 /nfs/dbraw/zinc/96/40/60/374964060.db2.gz ZZAOBRNHCAAHCR-MRXNPFEDSA-N 2 2 296.418 3.027 10 0 CGAELP Cc1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(C)n1 ZINC000187065948 374964063 /nfs/dbraw/zinc/96/40/63/374964063.db2.gz ZZAOBRNHCAAHCR-MRXNPFEDSA-N 2 2 296.418 3.027 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]Cc1cccc2cc[nH]c21 ZINC000222032439 376227666 /nfs/dbraw/zinc/22/76/66/376227666.db2.gz WDAGEIBJHIMRNE-MRXNPFEDSA-N 2 2 273.424 3.234 10 0 CGAELP C[C@@H]1CC[N@H+](Cc2c(F)cccc2F)C[C@H]1n1cc[nH+]c1 ZINC000246449824 377032154 /nfs/dbraw/zinc/03/21/54/377032154.db2.gz NROCDDKSKBFLTC-MLGOLLRUSA-N 2 2 291.345 3.244 10 0 CGAELP C[C@@H]1CC[N@@H+](Cc2c(F)cccc2F)C[C@H]1n1cc[nH+]c1 ZINC000246449824 377032160 /nfs/dbraw/zinc/03/21/60/377032160.db2.gz NROCDDKSKBFLTC-MLGOLLRUSA-N 2 2 291.345 3.244 10 0 CGAELP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000247136331 377164848 /nfs/dbraw/zinc/16/48/48/377164848.db2.gz RXWCCWRGHXWECA-BPQIPLTHSA-N 2 2 289.467 3.316 10 0 CGAELP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000247136331 377164855 /nfs/dbraw/zinc/16/48/55/377164855.db2.gz RXWCCWRGHXWECA-BPQIPLTHSA-N 2 2 289.467 3.316 10 0 CGAELP C[C@H]1CC[N@H+](CCCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000247674317 377230944 /nfs/dbraw/zinc/23/09/44/377230944.db2.gz RDZMBMBSPSROQN-FUHWJXTLSA-N 2 2 283.419 3.399 10 0 CGAELP C[C@H]1CC[N@@H+](CCCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000247674317 377230951 /nfs/dbraw/zinc/23/09/51/377230951.db2.gz RDZMBMBSPSROQN-FUHWJXTLSA-N 2 2 283.419 3.399 10 0 CGAELP Clc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000177100681 542189780 /nfs/dbraw/zinc/18/97/80/542189780.db2.gz CKANAXBEUKBELW-HNNXBMFYSA-N 2 2 275.783 3.201 10 0 CGAELP Clc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000177100681 542189783 /nfs/dbraw/zinc/18/97/83/542189783.db2.gz CKANAXBEUKBELW-HNNXBMFYSA-N 2 2 275.783 3.201 10 0 CGAELP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000400362530 379949574 /nfs/dbraw/zinc/94/95/74/379949574.db2.gz QKTIBAGCYUHIPH-MJVIPROJSA-N 2 2 297.240 3.240 10 0 CGAELP C[C@H](C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1)c1ccccc1 ZINC000194642156 542276807 /nfs/dbraw/zinc/27/68/07/542276807.db2.gz GUGNOFOBINHUDM-NVXWUHKLSA-N 2 2 269.392 3.151 10 0 CGAELP C[C@H](C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1)c1ccccc1 ZINC000194642156 542276812 /nfs/dbraw/zinc/27/68/12/542276812.db2.gz GUGNOFOBINHUDM-NVXWUHKLSA-N 2 2 269.392 3.151 10 0 CGAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000246250773 542326342 /nfs/dbraw/zinc/32/63/42/542326342.db2.gz PLNFAYIFJAFDPG-CSMYWGQOSA-N 2 2 276.399 3.131 10 0 CGAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000246250773 542326347 /nfs/dbraw/zinc/32/63/47/542326347.db2.gz PLNFAYIFJAFDPG-CSMYWGQOSA-N 2 2 276.399 3.131 10 0 CGAELP c1coc([C@H]([NH2+]CCC[NH+]2CCCC2)c2ccccc2)c1 ZINC000020129096 171016339 /nfs/dbraw/zinc/01/63/39/171016339.db2.gz SFRRKLQBCWNDAM-GOSISDBHSA-N 2 2 284.403 3.445 10 0 CGAELP Cc1cccc([C@@H](C[NH3+])[N@H+](C)Cc2ccccc2C)c1 ZINC000020225485 171087849 /nfs/dbraw/zinc/08/78/49/171087849.db2.gz OJGKNVFRQXDVJS-GOSISDBHSA-N 2 2 268.404 3.435 10 0 CGAELP Cc1cccc([C@@H](C[NH3+])[N@@H+](C)Cc2ccccc2C)c1 ZINC000020225485 171087852 /nfs/dbraw/zinc/08/78/52/171087852.db2.gz OJGKNVFRQXDVJS-GOSISDBHSA-N 2 2 268.404 3.435 10 0 CGAELP COc1ccc([C@H](C[NH3+])[N@H+](C)Cc2ccccc2C)cc1 ZINC000020225849 171090653 /nfs/dbraw/zinc/09/06/53/171090653.db2.gz MKKHYBPKLVEIEN-SFHVURJKSA-N 2 2 284.403 3.135 10 0 CGAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)Cc2ccccc2C)cc1 ZINC000020225849 171090656 /nfs/dbraw/zinc/09/06/56/171090656.db2.gz MKKHYBPKLVEIEN-SFHVURJKSA-N 2 2 284.403 3.135 10 0 CGAELP CC[C@@H](c1cccc(Cl)c1)[N@@H+]1CCC[NH2+]CC1 ZINC000022045716 171350796 /nfs/dbraw/zinc/35/07/96/171350796.db2.gz GDYCWUTUSASBBI-AWEZNQCLSA-N 2 2 252.789 3.086 10 0 CGAELP CC[C@@H](c1cccc(Cl)c1)[N@H+]1CCC[NH2+]CC1 ZINC000022045716 171350797 /nfs/dbraw/zinc/35/07/97/171350797.db2.gz GDYCWUTUSASBBI-AWEZNQCLSA-N 2 2 252.789 3.086 10 0 CGAELP [NH3+]C[C@@H](c1cccc2ccccc21)[NH+]1CCCCC1 ZINC000022176043 171370605 /nfs/dbraw/zinc/37/06/05/171370605.db2.gz BOKXVFGVLFRDLM-KRWDZBQOSA-N 2 2 254.377 3.326 10 0 CGAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1ccc(OC(F)F)cc1 ZINC000022177131 171370765 /nfs/dbraw/zinc/37/07/65/171370765.db2.gz KWMNJFBOZIOFMP-AWEZNQCLSA-N 2 2 286.366 3.410 10 0 CGAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(F)cc1Cl ZINC000035570289 172266333 /nfs/dbraw/zinc/26/63/33/172266333.db2.gz DEEWHDOGQALMHZ-GFCCVEGCSA-N 2 2 267.735 3.096 10 0 CGAELP CCC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cccc(Cl)c1 ZINC000035586599 172285650 /nfs/dbraw/zinc/28/56/50/172285650.db2.gz XJRGEXANGAPOLT-ZDUSSCGKSA-N 2 2 263.772 3.347 10 0 CGAELP [NH3+]CCCCCc1[nH+]c2cc(F)ccc2n1C1CC1 ZINC000037439791 173209342 /nfs/dbraw/zinc/20/93/42/173209342.db2.gz FZEPUJOIURDZHO-UHFFFAOYSA-N 2 2 261.344 3.182 10 0 CGAELP C[C@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccccc2Cl)C1 ZINC000038860324 174157980 /nfs/dbraw/zinc/15/79/80/174157980.db2.gz HFCXWGATMMXXMR-FZMZJTMJSA-N 2 2 252.789 3.072 10 0 CGAELP C[C@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccccc2Cl)C1 ZINC000038860324 174157982 /nfs/dbraw/zinc/15/79/82/174157982.db2.gz HFCXWGATMMXXMR-FZMZJTMJSA-N 2 2 252.789 3.072 10 0 CGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C[N@@H+]1C1CC1 ZINC000128860568 287319727 /nfs/dbraw/zinc/31/97/27/287319727.db2.gz NGQNSXDVTCBIKV-XQHKEYJVSA-N 2 2 290.373 3.322 10 0 CGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C[N@H+]1C1CC1 ZINC000128860568 287319730 /nfs/dbraw/zinc/31/97/30/287319730.db2.gz NGQNSXDVTCBIKV-XQHKEYJVSA-N 2 2 290.373 3.322 10 0 CGAELP C[C@H]([NH2+][C@H]1C[NH2+]C[C@@H](C)C1)c1ccc(Cl)s1 ZINC000401796460 416546761 /nfs/dbraw/zinc/54/67/61/416546761.db2.gz JRBKYFIXRZJMLZ-LPEHRKFASA-N 2 2 258.818 3.050 10 0 CGAELP CCCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000222696951 270086267 /nfs/dbraw/zinc/08/62/67/270086267.db2.gz WKGKMWOHWFQRLC-PBHICJAKSA-N 2 2 260.425 3.384 10 0 CGAELP CCCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000222696951 270086268 /nfs/dbraw/zinc/08/62/68/270086268.db2.gz WKGKMWOHWFQRLC-PBHICJAKSA-N 2 2 260.425 3.384 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)c2ccc(C)c(C)c2)C1 ZINC000250229083 270091258 /nfs/dbraw/zinc/09/12/58/270091258.db2.gz FWJHFSGGLBQXTF-WBVHZDCISA-N 2 2 260.425 3.438 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)c2ccc(C)c(C)c2)C1 ZINC000250229083 270091259 /nfs/dbraw/zinc/09/12/59/270091259.db2.gz FWJHFSGGLBQXTF-WBVHZDCISA-N 2 2 260.425 3.438 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000328349248 270095178 /nfs/dbraw/zinc/09/51/78/270095178.db2.gz MWHYNRPVSZSRLD-CABCVRRESA-N 2 2 250.430 3.173 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000328349248 270095179 /nfs/dbraw/zinc/09/51/79/270095179.db2.gz MWHYNRPVSZSRLD-CABCVRRESA-N 2 2 250.430 3.173 10 0 CGAELP C[C@H]([NH2+][C@@H](C[NH+](C)C)c1ccccc1)[C@H]1CC1(C)C ZINC000397781024 288030414 /nfs/dbraw/zinc/03/04/14/288030414.db2.gz OKTHQWWLRUDERX-IMJJTQAJSA-N 2 2 260.425 3.314 10 0 CGAELP CC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379632350 330144698 /nfs/dbraw/zinc/14/46/98/330144698.db2.gz NPWKKNLUTOWKIG-DOTOQJQBSA-N 2 2 260.425 3.429 10 0 CGAELP CC[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379632350 330144699 /nfs/dbraw/zinc/14/46/99/330144699.db2.gz NPWKKNLUTOWKIG-DOTOQJQBSA-N 2 2 260.425 3.429 10 0 CGAELP CC[N@H+](Cc1[nH+]c(NN)ccc1Cl)C1CCCCC1 ZINC000061638862 521452941 /nfs/dbraw/zinc/45/29/41/521452941.db2.gz QGUXPGNPKDOHGV-UHFFFAOYSA-N 2 2 282.819 3.175 10 0 CGAELP CC[N@@H+](Cc1[nH+]c(NN)ccc1Cl)C1CCCCC1 ZINC000061638862 521452945 /nfs/dbraw/zinc/45/29/45/521452945.db2.gz QGUXPGNPKDOHGV-UHFFFAOYSA-N 2 2 282.819 3.175 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+]C2CCC(C(C)C)CC2)C1 ZINC000054556257 521623738 /nfs/dbraw/zinc/62/37/38/521623738.db2.gz HHNWQDNQRRCTKY-UYSNPLJNSA-N 2 2 252.446 3.275 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+]C2CCC(C(C)C)CC2)C1 ZINC000054556257 521623740 /nfs/dbraw/zinc/62/37/40/521623740.db2.gz HHNWQDNQRRCTKY-UYSNPLJNSA-N 2 2 252.446 3.275 10 0 CGAELP CCCn1c(C[C@H](C)[NH2+]CC)[nH+]c2cc(C)ccc21 ZINC000061181852 521630729 /nfs/dbraw/zinc/63/07/29/521630729.db2.gz AGFWXQKOVPSBCJ-ZDUSSCGKSA-N 2 2 259.397 3.295 10 0 CGAELP CCc1[nH+]c2ccccc2n1[C@@H]1CCCCC[C@H]1[NH3+] ZINC000062807597 522507031 /nfs/dbraw/zinc/50/70/31/522507031.db2.gz WXFSPQFIIYLEQA-TZMCWYRMSA-N 2 2 257.381 3.431 10 0 CGAELP C[N@H+]([C@H](C[NH2+]C1CC1)c1ccccc1)C1CCCC1 ZINC000052445045 523626311 /nfs/dbraw/zinc/62/63/11/523626311.db2.gz PIUJFRSJZOJBGC-QGZVFWFLSA-N 2 2 258.409 3.354 10 0 CGAELP C[N@@H+]([C@H](C[NH2+]C1CC1)c1ccccc1)C1CCCC1 ZINC000052445045 523626316 /nfs/dbraw/zinc/62/63/16/523626316.db2.gz PIUJFRSJZOJBGC-QGZVFWFLSA-N 2 2 258.409 3.354 10 0 CGAELP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)C1 ZINC000250697568 571883981 /nfs/dbraw/zinc/88/39/81/571883981.db2.gz MKTGHRLOPCKVSD-RRFJBIMHSA-N 2 2 252.446 3.275 10 0 CGAELP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)C1 ZINC000250697568 571883984 /nfs/dbraw/zinc/88/39/84/571883984.db2.gz MKTGHRLOPCKVSD-RRFJBIMHSA-N 2 2 252.446 3.275 10 0 CGAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)CSC(C)(C)C)C1 ZINC000246508097 640679193 /nfs/dbraw/zinc/67/91/93/640679193.db2.gz TXFHJEGQGJDFFF-MCIONIFRSA-N 2 2 272.502 3.225 10 0 CGAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)CSC(C)(C)C)C1 ZINC000246508097 640679196 /nfs/dbraw/zinc/67/91/96/640679196.db2.gz TXFHJEGQGJDFFF-MCIONIFRSA-N 2 2 272.502 3.225 10 0 CGAELP COc1ccc([C@@H](C)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000188417615 542248129 /nfs/dbraw/zinc/24/81/29/542248129.db2.gz DLLGCRPMMXLUOD-DOTOQJQBSA-N 2 2 299.418 3.160 10 0 CGAELP COc1ccc([C@@H](C)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000188417615 542248131 /nfs/dbraw/zinc/24/81/31/542248131.db2.gz DLLGCRPMMXLUOD-DOTOQJQBSA-N 2 2 299.418 3.160 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC000177142377 189032265 /nfs/dbraw/zinc/03/22/65/189032265.db2.gz PWZKBWJTQGKJMV-LSDHHAIUSA-N 2 2 284.407 3.239 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC000177142377 189032266 /nfs/dbraw/zinc/03/22/66/189032266.db2.gz PWZKBWJTQGKJMV-LSDHHAIUSA-N 2 2 284.407 3.239 10 0 CGAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc3c(c2)CCO3)C1 ZINC000178219071 189098655 /nfs/dbraw/zinc/09/86/55/189098655.db2.gz OAGDINBNDDTSHE-KEYYUXOJSA-N 2 2 288.435 3.001 10 0 CGAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc3c(c2)CCO3)C1 ZINC000178219071 189098656 /nfs/dbraw/zinc/09/86/56/189098656.db2.gz OAGDINBNDDTSHE-KEYYUXOJSA-N 2 2 288.435 3.001 10 0 CGAELP CC(C)[N@H+]1C[C@H]([NH2+][C@@H](C)c2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000178219080 189098781 /nfs/dbraw/zinc/09/87/81/189098781.db2.gz OAGDINBNDDTSHE-ZQIUZPCESA-N 2 2 288.435 3.001 10 0 CGAELP CC(C)[N@@H+]1C[C@H]([NH2+][C@@H](C)c2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000178219080 189098782 /nfs/dbraw/zinc/09/87/82/189098782.db2.gz OAGDINBNDDTSHE-ZQIUZPCESA-N 2 2 288.435 3.001 10 0 CGAELP Cc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)s1 ZINC000180124004 189238009 /nfs/dbraw/zinc/23/80/09/189238009.db2.gz DDMAZRBBYUDIKW-CQSZACIVSA-N 2 2 275.421 3.226 10 0 CGAELP Cc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)s1 ZINC000180124004 189238010 /nfs/dbraw/zinc/23/80/10/189238010.db2.gz DDMAZRBBYUDIKW-CQSZACIVSA-N 2 2 275.421 3.226 10 0 CGAELP Cc1cc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000180669019 189268982 /nfs/dbraw/zinc/26/89/82/189268982.db2.gz OKYBKTXPLCMDNA-CYBMUJFWSA-N 2 2 282.347 3.020 10 0 CGAELP CSc1ccc([C@H](C[NH3+])[N@@H+]2CCCC[C@H]2C)cc1 ZINC000034938072 368980407 /nfs/dbraw/zinc/98/04/07/368980407.db2.gz QGKPXONURACXJE-DOMZBBRYSA-N 2 2 264.438 3.283 10 0 CGAELP CSc1ccc([C@H](C[NH3+])[N@H+]2CCCC[C@H]2C)cc1 ZINC000034938072 368980409 /nfs/dbraw/zinc/98/04/09/368980409.db2.gz QGKPXONURACXJE-DOMZBBRYSA-N 2 2 264.438 3.283 10 0 CGAELP CC(C)Oc1ccc([C@H](C[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000033431034 368964676 /nfs/dbraw/zinc/96/46/76/368964676.db2.gz QAJBMLFVHKPSNW-DAYGRLMNSA-N 2 2 290.451 3.452 10 0 CGAELP CC(C)Oc1ccc([C@H](C[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000033431034 368964680 /nfs/dbraw/zinc/96/46/80/368964680.db2.gz QAJBMLFVHKPSNW-DAYGRLMNSA-N 2 2 290.451 3.452 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC000040502290 369157708 /nfs/dbraw/zinc/15/77/08/369157708.db2.gz KUIMXQBVHVBNSM-JKSUJKDBSA-N 2 2 260.425 3.438 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC000040502290 369157711 /nfs/dbraw/zinc/15/77/11/369157711.db2.gz KUIMXQBVHVBNSM-JKSUJKDBSA-N 2 2 260.425 3.438 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2cc(C)c(C)cc2C)C1 ZINC000040502874 369158416 /nfs/dbraw/zinc/15/84/16/369158416.db2.gz UZFZXYYTLPDTCE-QGZVFWFLSA-N 2 2 260.425 3.186 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+]Cc2cc(C)c(C)cc2C)C1 ZINC000040502874 369158417 /nfs/dbraw/zinc/15/84/17/369158417.db2.gz UZFZXYYTLPDTCE-QGZVFWFLSA-N 2 2 260.425 3.186 10 0 CGAELP C[C@H]([NH2+]CC[C@@H]1CCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000038095976 541866686 /nfs/dbraw/zinc/86/66/86/541866686.db2.gz ZEBQAUQWYUTBLR-YOEHRIQHSA-N 2 2 285.391 3.092 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+]C[C@H]2CC(C)=C[C@H](C)C2)C1 ZINC000300077577 373617931 /nfs/dbraw/zinc/61/79/31/373617931.db2.gz DGTMVYBWZSBVKF-IMJJTQAJSA-N 2 2 250.430 3.053 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+]C[C@H]2CC(C)=C[C@H](C)C2)C1 ZINC000300077577 373617934 /nfs/dbraw/zinc/61/79/34/373617934.db2.gz DGTMVYBWZSBVKF-IMJJTQAJSA-N 2 2 250.430 3.053 10 0 CGAELP Cc1ccsc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000180125909 373967860 /nfs/dbraw/zinc/96/78/60/373967860.db2.gz KBKWWSWFZWCZAS-AWEZNQCLSA-N 2 2 275.421 3.226 10 0 CGAELP Cc1ccsc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000180125909 373967863 /nfs/dbraw/zinc/96/78/63/373967863.db2.gz KBKWWSWFZWCZAS-AWEZNQCLSA-N 2 2 275.421 3.226 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(Cl)c2)C1 ZINC000328508359 374365059 /nfs/dbraw/zinc/36/50/59/374365059.db2.gz MKDXXEZGCMTWMH-SMDDNHRTSA-N 2 2 252.789 3.085 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(Cl)c2)C1 ZINC000328508359 374365069 /nfs/dbraw/zinc/36/50/69/374365069.db2.gz MKDXXEZGCMTWMH-SMDDNHRTSA-N 2 2 252.789 3.085 10 0 CGAELP CCc1ccc([C@H](CC)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000222697669 376241442 /nfs/dbraw/zinc/24/14/42/376241442.db2.gz MDJLISFNZJLSFP-SJORKVTESA-N 2 2 260.425 3.384 10 0 CGAELP CCc1ccc([C@H](CC)[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000222697669 376241447 /nfs/dbraw/zinc/24/14/47/376241447.db2.gz MDJLISFNZJLSFP-SJORKVTESA-N 2 2 260.425 3.384 10 0 CGAELP C[C@H](C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)[N@H+](C)C1CC1 ZINC000230656586 376525445 /nfs/dbraw/zinc/52/54/45/376525445.db2.gz INVSDEBPNUJZPL-MGPQQGTHSA-N 2 2 252.446 3.274 10 0 CGAELP C[C@H](C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)[N@@H+](C)C1CC1 ZINC000230656586 376525455 /nfs/dbraw/zinc/52/54/55/376525455.db2.gz INVSDEBPNUJZPL-MGPQQGTHSA-N 2 2 252.446 3.274 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CSCCc3ccccc32)C1 ZINC000247177538 377173002 /nfs/dbraw/zinc/17/30/02/377173002.db2.gz VAIJDDKHGKVNJL-WBVHZDCISA-N 2 2 290.476 3.091 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CSCCc3ccccc32)C1 ZINC000247177538 377173009 /nfs/dbraw/zinc/17/30/09/377173009.db2.gz VAIJDDKHGKVNJL-WBVHZDCISA-N 2 2 290.476 3.091 10 0 CGAELP CCc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000185223924 542237834 /nfs/dbraw/zinc/23/78/34/542237834.db2.gz INABLCRLBBBXDM-QGZVFWFLSA-N 2 2 269.392 3.110 10 0 CGAELP CCc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000185223924 542237837 /nfs/dbraw/zinc/23/78/37/542237837.db2.gz INABLCRLBBBXDM-QGZVFWFLSA-N 2 2 269.392 3.110 10 0 CGAELP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1c(F)cccc1F ZINC000643452456 380308403 /nfs/dbraw/zinc/30/84/03/380308403.db2.gz SWKGDSYJIUGXQE-SDDRHHMPSA-N 2 2 268.351 3.004 10 0 CGAELP C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)o1 ZINC000249782733 542341155 /nfs/dbraw/zinc/34/11/55/542341155.db2.gz LOLWFUTUQNTQIU-IJEWVQPXSA-N 2 2 285.391 3.264 10 0 CGAELP C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)o1 ZINC000249782733 542341158 /nfs/dbraw/zinc/34/11/58/542341158.db2.gz LOLWFUTUQNTQIU-IJEWVQPXSA-N 2 2 285.391 3.264 10 0 CGAELP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3cccnc3)CC2)o1 ZINC000158193519 392559149 /nfs/dbraw/zinc/55/91/49/392559149.db2.gz FNBVLGYYTIQGHS-HNNXBMFYSA-N 2 2 299.418 3.298 10 0 CGAELP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)[N@H+](C)C1CC1 ZINC000230656582 393023792 /nfs/dbraw/zinc/02/37/92/393023792.db2.gz INVSDEBPNUJZPL-HZSPNIEDSA-N 2 2 252.446 3.274 10 0 CGAELP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)[N@@H+](C)C1CC1 ZINC000230656582 393023795 /nfs/dbraw/zinc/02/37/95/393023795.db2.gz INVSDEBPNUJZPL-HZSPNIEDSA-N 2 2 252.446 3.274 10 0 CGAELP Fc1ccc(/C=C\C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000588549179 542769688 /nfs/dbraw/zinc/76/96/88/542769688.db2.gz IJKSZYMZZFRMDW-YKUAXSNGSA-N 2 2 285.366 3.200 10 0 CGAELP Fc1ccc(/C=C\C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000588549179 542769691 /nfs/dbraw/zinc/76/96/91/542769691.db2.gz IJKSZYMZZFRMDW-YKUAXSNGSA-N 2 2 285.366 3.200 10 0 CGAELP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000674877483 543302803 /nfs/dbraw/zinc/30/28/03/543302803.db2.gz UNCPGUSPZHVKMN-ZQIUZPCESA-N 2 2 260.425 3.411 10 0 CGAELP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000674877483 543302805 /nfs/dbraw/zinc/30/28/05/543302805.db2.gz UNCPGUSPZHVKMN-ZQIUZPCESA-N 2 2 260.425 3.411 10 0 CGAELP Cc1cccc([C@@H](C[NH3+])[N@H+](C)CCc2ccccc2)c1 ZINC000020225525 171088893 /nfs/dbraw/zinc/08/88/93/171088893.db2.gz UUFSLRPAVHQCRZ-GOSISDBHSA-N 2 2 268.404 3.169 10 0 CGAELP Cc1cccc([C@@H](C[NH3+])[N@@H+](C)CCc2ccccc2)c1 ZINC000020225525 171088896 /nfs/dbraw/zinc/08/88/96/171088896.db2.gz UUFSLRPAVHQCRZ-GOSISDBHSA-N 2 2 268.404 3.169 10 0 CGAELP CCOc1cccc([C@@H](C[NH3+])[N@H+](C)CC(C)(C)C)c1 ZINC000020226210 171089877 /nfs/dbraw/zinc/08/98/77/171089877.db2.gz QBCFXWJIGXSLBN-OAHLLOKOSA-N 2 2 264.413 3.063 10 0 CGAELP CCOc1cccc([C@@H](C[NH3+])[N@@H+](C)CC(C)(C)C)c1 ZINC000020226210 171089880 /nfs/dbraw/zinc/08/98/80/171089880.db2.gz QBCFXWJIGXSLBN-OAHLLOKOSA-N 2 2 264.413 3.063 10 0 CGAELP [NH3+]CCCCCCc1[nH]c2ccc(Cl)cc2[nH+]1 ZINC000020374721 171170113 /nfs/dbraw/zinc/17/01/13/171170113.db2.gz TZVRDDBUYJMPJL-UHFFFAOYSA-N 2 2 251.761 3.278 10 0 CGAELP c1coc([C@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc2)c1 ZINC000020506174 171228092 /nfs/dbraw/zinc/22/80/92/171228092.db2.gz JQFMNRRSIKPSGZ-QGZVFWFLSA-N 2 2 281.359 3.245 10 0 CGAELP C[N@H+](Cc1cccc(F)c1)[C@@H](C[NH3+])C1CCCCC1 ZINC000020545700 171243485 /nfs/dbraw/zinc/24/34/85/171243485.db2.gz SKMZJFHUQGVAQN-INIZCTEOSA-N 2 2 264.388 3.165 10 0 CGAELP C[N@@H+](Cc1cccc(F)c1)[C@@H](C[NH3+])C1CCCCC1 ZINC000020545700 171243486 /nfs/dbraw/zinc/24/34/86/171243486.db2.gz SKMZJFHUQGVAQN-INIZCTEOSA-N 2 2 264.388 3.165 10 0 CGAELP C[C@@H]1C[C@@H]1c1ccc([C@@H](C[NH3+])[NH+]2CCCCCC2)o1 ZINC000022172364 171368501 /nfs/dbraw/zinc/36/85/01/171368501.db2.gz UYHKWWLUYHMWBD-HZSPNIEDSA-N 2 2 262.397 3.279 10 0 CGAELP CCOc1ccccc1[C@@H](C[NH3+])[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000022219314 171377303 /nfs/dbraw/zinc/37/73/03/171377303.db2.gz BMBPIZPLSGZGKK-IIAWOOMASA-N 2 2 276.424 3.063 10 0 CGAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cc(Cl)cc(Cl)c1 ZINC000035504177 172237709 /nfs/dbraw/zinc/23/77/09/172237709.db2.gz SIZMWIIKGNJCAW-NSHDSACASA-N 2 2 270.163 3.220 10 0 CGAELP Cc1ccc(-c2c[nH]c(CCCCC[NH3+])[nH+]2)c(C)c1 ZINC000036876726 172772184 /nfs/dbraw/zinc/77/21/84/172772184.db2.gz PWMHDGHOFVXNMP-UHFFFAOYSA-N 2 2 257.381 3.365 10 0 CGAELP C[C@@H]1CCC[C@H](C)[N@H+]1[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000039789057 174173367 /nfs/dbraw/zinc/17/33/67/174173367.db2.gz WHNDCFSIBZUVBT-ZOWXZIJZSA-N 2 2 250.361 3.088 10 0 CGAELP C[C@@H]1CCC[C@H](C)[N@@H+]1[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000039789057 174173368 /nfs/dbraw/zinc/17/33/68/174173368.db2.gz WHNDCFSIBZUVBT-ZOWXZIJZSA-N 2 2 250.361 3.088 10 0 CGAELP Nc1c(Nc2cc[nH+]cc2)nc[nH+]c1NC1CCCCCC1 ZINC000040687680 174375881 /nfs/dbraw/zinc/37/58/81/174375881.db2.gz JCTVQUIUUASINP-UHFFFAOYSA-N 2 2 298.394 3.332 10 0 CGAELP CC(C)C[C@@H](C[NH3+])[N@H+](Cc1cccs1)C1CC1 ZINC000042515457 174766881 /nfs/dbraw/zinc/76/68/81/174766881.db2.gz QGPSNIMTZJJGTO-ZDUSSCGKSA-N 2 2 252.427 3.086 10 0 CGAELP CC(C)C[C@@H](C[NH3+])[N@@H+](Cc1cccs1)C1CC1 ZINC000042515457 174766882 /nfs/dbraw/zinc/76/68/82/174766882.db2.gz QGPSNIMTZJJGTO-ZDUSSCGKSA-N 2 2 252.427 3.086 10 0 CGAELP CCc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657291588 419243493 /nfs/dbraw/zinc/24/34/93/419243493.db2.gz YFXFBLBPRULMOB-ZDUSSCGKSA-N 2 2 269.392 3.243 10 0 CGAELP Cc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)cc1F ZINC000657392301 419267740 /nfs/dbraw/zinc/26/77/40/419267740.db2.gz QPZBRIZEEXMQIR-LBPRGKRZSA-N 2 2 273.355 3.128 10 0 CGAELP FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657500166 419295301 /nfs/dbraw/zinc/29/53/01/419295301.db2.gz IIUBMOJKFQMWLC-NEPJUHHUSA-N 2 2 287.329 3.040 10 0 CGAELP C=Cn1cc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000194346784 287614673 /nfs/dbraw/zinc/61/46/73/287614673.db2.gz KEPJPCXFUGEJQZ-AWEZNQCLSA-N 2 2 293.374 3.020 10 0 CGAELP CC(C)CCC[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671515 270029880 /nfs/dbraw/zinc/02/98/80/270029880.db2.gz SKSDWGYJHHTCGR-SFHVURJKSA-N 2 2 274.452 3.329 10 0 CGAELP CC(C)CCC[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671515 270029881 /nfs/dbraw/zinc/02/98/81/270029881.db2.gz SKSDWGYJHHTCGR-SFHVURJKSA-N 2 2 274.452 3.329 10 0 CGAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000396547943 288013938 /nfs/dbraw/zinc/01/39/38/288013938.db2.gz CWNDGSLAFGYVJK-WDMOLILDSA-N 2 2 286.341 3.497 10 0 CGAELP CC(C)C[C@@H]1C[N@@H+]([C@H]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000062624670 519271802 /nfs/dbraw/zinc/27/18/02/519271802.db2.gz XYPJHJJRIQFTSJ-OAGGEKHMSA-N 2 2 252.446 3.275 10 0 CGAELP CC(C)C[C@@H]1C[N@H+]([C@H]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000062624670 519271810 /nfs/dbraw/zinc/27/18/10/519271810.db2.gz XYPJHJJRIQFTSJ-OAGGEKHMSA-N 2 2 252.446 3.275 10 0 CGAELP CC(C)[C@H](C)[N@H+](C)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062710045 519811860 /nfs/dbraw/zinc/81/18/60/519811860.db2.gz QNYTWCFYFNRETF-ZANVPECISA-N 2 2 274.330 3.080 10 0 CGAELP CC(C)[C@H](C)[N@@H+](C)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062710045 519811861 /nfs/dbraw/zinc/81/18/61/519811861.db2.gz QNYTWCFYFNRETF-ZANVPECISA-N 2 2 274.330 3.080 10 0 CGAELP CC(C)[C@@H]1C[N@H+](Cc2cccc(Cl)c2)CCC[NH2+]1 ZINC000062663556 519804537 /nfs/dbraw/zinc/80/45/37/519804537.db2.gz RMQNEAPXCAYMMP-HNNXBMFYSA-N 2 2 266.816 3.160 10 0 CGAELP CC(C)[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)CCC[NH2+]1 ZINC000062663556 519804538 /nfs/dbraw/zinc/80/45/38/519804538.db2.gz RMQNEAPXCAYMMP-HNNXBMFYSA-N 2 2 266.816 3.160 10 0 CGAELP CCc1[nH+]c2ccccc2n1[C@H]1CCCCC[C@@H]1[NH3+] ZINC000062807596 522507882 /nfs/dbraw/zinc/50/78/82/522507882.db2.gz WXFSPQFIIYLEQA-JSGCOSHPSA-N 2 2 257.381 3.431 10 0 CGAELP Cc1ccc(C[N@@H+](C)[C@H](C[NH2+]C(C)(C)C)C(C)C)o1 ZINC000052455579 524401906 /nfs/dbraw/zinc/40/19/06/524401906.db2.gz UWGJIEFTJSDOAA-OAHLLOKOSA-N 2 2 266.429 3.433 10 0 CGAELP Cc1ccc(C[N@H+](C)[C@H](C[NH2+]C(C)(C)C)C(C)C)o1 ZINC000052455579 524401913 /nfs/dbraw/zinc/40/19/13/524401913.db2.gz UWGJIEFTJSDOAA-OAHLLOKOSA-N 2 2 266.429 3.433 10 0 CGAELP CCC[NH2+]C[C@H]1CCN(c2ccc([NH+]3CCCC3)cc2)C1 ZINC000062996600 602692669 /nfs/dbraw/zinc/69/26/69/602692669.db2.gz BWIOTZDLJQPLLM-MRXNPFEDSA-N 2 2 287.451 3.113 10 0 CGAELP c1ccc(C[N@@H+]2CCC[C@@]3(C2)CCCCC[NH2+]3)cc1 ZINC000096884937 185120470 /nfs/dbraw/zinc/12/04/70/185120470.db2.gz OFPUEADITUVQRM-QGZVFWFLSA-N 2 2 258.409 3.185 10 0 CGAELP c1ccc(C[N@H+]2CCC[C@@]3(C2)CCCCC[NH2+]3)cc1 ZINC000096884937 185120471 /nfs/dbraw/zinc/12/04/71/185120471.db2.gz OFPUEADITUVQRM-QGZVFWFLSA-N 2 2 258.409 3.185 10 0 CGAELP Fc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188412276 542247260 /nfs/dbraw/zinc/24/72/60/542247260.db2.gz YAZPDSZDLMNSQB-CQSZACIVSA-N 2 2 293.773 3.340 10 0 CGAELP Fc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188412276 542247263 /nfs/dbraw/zinc/24/72/63/542247263.db2.gz YAZPDSZDLMNSQB-CQSZACIVSA-N 2 2 293.773 3.340 10 0 CGAELP Cc1cc2ccccc2[nH+]c1NC[C@@]1(C)CCC[NH2+]C1 ZINC000129341283 346048569 /nfs/dbraw/zinc/04/85/69/346048569.db2.gz MDLJSTYVZPVDKV-KRWDZBQOSA-N 2 2 269.392 3.345 10 0 CGAELP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](CC)C2)cc1 ZINC000389450585 346573012 /nfs/dbraw/zinc/57/30/12/346573012.db2.gz QCZCMVLUJMFCHH-GOEBONIOSA-N 2 2 276.424 3.220 10 0 CGAELP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000389450585 346573013 /nfs/dbraw/zinc/57/30/13/346573013.db2.gz QCZCMVLUJMFCHH-GOEBONIOSA-N 2 2 276.424 3.220 10 0 CGAELP CCCOc1cccc2c(N3CC[C@H]([NH+](C)C)C3)cc[nH+]c12 ZINC000194712547 189666186 /nfs/dbraw/zinc/66/61/86/189666186.db2.gz VVNFDGUPRAFUTO-AWEZNQCLSA-N 2 2 299.418 3.164 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000040502699 369157424 /nfs/dbraw/zinc/15/74/24/369157424.db2.gz FDAHRBOHFUYNQC-SLTAFYQDSA-N 2 2 276.399 3.146 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000040502699 369157430 /nfs/dbraw/zinc/15/74/30/369157430.db2.gz FDAHRBOHFUYNQC-SLTAFYQDSA-N 2 2 276.399 3.146 10 0 CGAELP CCc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](CC)C2)cc1 ZINC000040502407 369157721 /nfs/dbraw/zinc/15/77/21/369157721.db2.gz CVFMUASYPUGTEP-RHSMWYFYSA-N 2 2 260.425 3.384 10 0 CGAELP CCc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](CC)C2)cc1 ZINC000040502407 369157726 /nfs/dbraw/zinc/15/77/26/369157726.db2.gz CVFMUASYPUGTEP-RHSMWYFYSA-N 2 2 260.425 3.384 10 0 CGAELP CCCc1nc(C[NH2+]C2CC[NH+](CCC)CC2)cs1 ZINC000065374363 369671518 /nfs/dbraw/zinc/67/15/18/369671518.db2.gz ZIVOTCITFCRIAJ-UHFFFAOYSA-N 2 2 281.469 3.060 10 0 CGAELP C[C@H](Cc1ccccc1F)[NH2+]CC1(Cn2cc[nH+]c2)CC1 ZINC000065403579 369674175 /nfs/dbraw/zinc/67/41/75/369674175.db2.gz DJCWWTNXXYDFNX-CQSZACIVSA-N 2 2 287.382 3.023 10 0 CGAELP Cc1ccc([C@@H]2CCCC[N@@H+]2CCn2cc[nH+]c2)o1 ZINC000131459369 371109308 /nfs/dbraw/zinc/10/93/08/371109308.db2.gz SWQHIQHFIWJPJC-AWEZNQCLSA-N 2 2 259.353 3.012 10 0 CGAELP CC1(C)CCc2ccccc2[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000132673592 371193419 /nfs/dbraw/zinc/19/34/19/371193419.db2.gz URASYSXNTLCFNT-MRXNPFEDSA-N 2 2 269.392 3.186 10 0 CGAELP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000165937825 372560123 /nfs/dbraw/zinc/56/01/23/372560123.db2.gz MEVXTBMZYWQADT-ZOBUZTSGSA-N 2 2 260.425 3.374 10 0 CGAELP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000165937825 372560133 /nfs/dbraw/zinc/56/01/33/372560133.db2.gz MEVXTBMZYWQADT-ZOBUZTSGSA-N 2 2 260.425 3.374 10 0 CGAELP C[NH2+]CCC1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000168726174 372617242 /nfs/dbraw/zinc/61/72/42/372617242.db2.gz WKFZIQIPFFRWCS-UHFFFAOYSA-N 2 2 269.392 3.061 10 0 CGAELP CCOc1cccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000180120236 373966031 /nfs/dbraw/zinc/96/60/31/373966031.db2.gz YMOFHVZINPHYCI-QGZVFWFLSA-N 2 2 299.418 3.255 10 0 CGAELP CCOc1cccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000180120236 373966037 /nfs/dbraw/zinc/96/60/37/373966037.db2.gz YMOFHVZINPHYCI-QGZVFWFLSA-N 2 2 299.418 3.255 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(C)c(C)c1 ZINC000180129715 373967591 /nfs/dbraw/zinc/96/75/91/373967591.db2.gz ORGUUBVXWJNWDG-GOSISDBHSA-N 2 2 283.419 3.473 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(C)c(C)c1 ZINC000180129715 373967599 /nfs/dbraw/zinc/96/75/99/373967599.db2.gz ORGUUBVXWJNWDG-GOSISDBHSA-N 2 2 283.419 3.473 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCCN1c1cc[nH+]c2ccsc21 ZINC000192739894 375785121 /nfs/dbraw/zinc/78/51/21/375785121.db2.gz VWWNDLLPMSQEQG-ZDUSSCGKSA-N 2 2 298.415 3.470 10 0 CGAELP Cc1ccc(F)cc1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245959384 376945339 /nfs/dbraw/zinc/94/53/39/376945339.db2.gz MKMARYLKOFAPTC-YOEHRIQHSA-N 2 2 287.382 3.414 10 0 CGAELP Cc1ccc(F)cc1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245959384 376945344 /nfs/dbraw/zinc/94/53/44/376945344.db2.gz MKMARYLKOFAPTC-YOEHRIQHSA-N 2 2 287.382 3.414 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](C)c1ccccc1 ZINC000247056541 377150691 /nfs/dbraw/zinc/15/06/91/377150691.db2.gz NVBANZWJEDQYRC-YJBOKZPZSA-N 2 2 283.419 3.460 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](C)c1ccccc1 ZINC000247056541 377150700 /nfs/dbraw/zinc/15/07/00/377150700.db2.gz NVBANZWJEDQYRC-YJBOKZPZSA-N 2 2 283.419 3.460 10 0 CGAELP C[C@H](C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1)c1ccccc1 ZINC000248828385 542337373 /nfs/dbraw/zinc/33/73/73/542337373.db2.gz GUGNOFOBINHUDM-WBVHZDCISA-N 2 2 269.392 3.151 10 0 CGAELP C[C@H](C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1)c1ccccc1 ZINC000248828385 542337374 /nfs/dbraw/zinc/33/73/74/542337374.db2.gz GUGNOFOBINHUDM-WBVHZDCISA-N 2 2 269.392 3.151 10 0 CGAELP Cc1ccc(CC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000124321695 287232133 /nfs/dbraw/zinc/23/21/33/287232133.db2.gz WBAZXUMWYURCNY-SFHVURJKSA-N 2 2 295.430 3.367 10 0 CGAELP Cc1ccc(CC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000124321695 287232136 /nfs/dbraw/zinc/23/21/36/287232136.db2.gz WBAZXUMWYURCNY-SFHVURJKSA-N 2 2 295.430 3.367 10 0 CGAELP COc1ccc([C@H](C[NH3+])[N@H+](C)Cc2cccc(C)c2)cc1 ZINC000020225851 171089536 /nfs/dbraw/zinc/08/95/36/171089536.db2.gz YGIGKRTVXZXZBW-SFHVURJKSA-N 2 2 284.403 3.135 10 0 CGAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)Cc2cccc(C)c2)cc1 ZINC000020225851 171089539 /nfs/dbraw/zinc/08/95/39/171089539.db2.gz YGIGKRTVXZXZBW-SFHVURJKSA-N 2 2 284.403 3.135 10 0 CGAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)C[C@@H](C)CC(C)(C)C ZINC000035570088 172265002 /nfs/dbraw/zinc/26/50/02/172265002.db2.gz CTBDPOQIXQDKGR-CHWSQXEVSA-N 2 2 251.418 3.393 10 0 CGAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cc(Cl)ccc1F ZINC000035570195 172265334 /nfs/dbraw/zinc/26/53/34/172265334.db2.gz CDKCLBWMUYNKHS-GFCCVEGCSA-N 2 2 267.735 3.096 10 0 CGAELP CC(C)c1ccc([C@H](C[NH3+])[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000037174501 173008876 /nfs/dbraw/zinc/00/88/76/173008876.db2.gz OPVZWLCVAKOQCC-CVEARBPZSA-N 2 2 278.465 3.247 10 0 CGAELP CC(C)c1ccc([C@H](C[NH3+])[N@@H+](C)[C@@H]2CCSC2)cc1 ZINC000037174501 173008878 /nfs/dbraw/zinc/00/88/78/173008878.db2.gz OPVZWLCVAKOQCC-CVEARBPZSA-N 2 2 278.465 3.247 10 0 CGAELP CC(C)[NH2+]C[C@H]([NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000725269529 544114603 /nfs/dbraw/zinc/11/46/03/544114603.db2.gz VAPOINSPDNKFQH-AWEZNQCLSA-N 2 2 252.789 3.131 10 0 CGAELP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657303092 419246782 /nfs/dbraw/zinc/24/67/82/419246782.db2.gz ZYNCIYKGRKSFFX-GHMZBOCLSA-N 2 2 287.329 3.040 10 0 CGAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCc2ccccc21 ZINC000037167131 270028993 /nfs/dbraw/zinc/02/89/93/270028993.db2.gz VTZKDXNBOBPIOO-DOTOQJQBSA-N 2 2 260.425 3.240 10 0 CGAELP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1C ZINC000222704988 270086074 /nfs/dbraw/zinc/08/60/74/270086074.db2.gz ACQBPWMTZDRQNT-CVEARBPZSA-N 2 2 260.425 3.357 10 0 CGAELP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1C ZINC000222704988 270086075 /nfs/dbraw/zinc/08/60/75/270086075.db2.gz ACQBPWMTZDRQNT-CVEARBPZSA-N 2 2 260.425 3.357 10 0 CGAELP C[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)[C@H]1C[NH3+] ZINC000252122181 278343146 /nfs/dbraw/zinc/34/31/46/278343146.db2.gz JMTOTHTUABCSDD-FZMZJTMJSA-N 2 2 286.341 3.265 10 0 CGAELP C[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)[C@H]1C[NH3+] ZINC000252122181 278343148 /nfs/dbraw/zinc/34/31/48/278343148.db2.gz JMTOTHTUABCSDD-FZMZJTMJSA-N 2 2 286.341 3.265 10 0 CGAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)CC(C)(C)C1 ZINC000251677117 297287694 /nfs/dbraw/zinc/28/76/94/297287694.db2.gz AHZOBBCCLAFFNT-HZSPNIEDSA-N 2 2 250.430 3.028 10 0 CGAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)CC(C)(C)C1 ZINC000251677117 297287696 /nfs/dbraw/zinc/28/76/96/297287696.db2.gz AHZOBBCCLAFFNT-HZSPNIEDSA-N 2 2 250.430 3.028 10 0 CGAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596480 521650248 /nfs/dbraw/zinc/65/02/48/521650248.db2.gz VLEICMDLLNTHLX-HNNXBMFYSA-N 2 2 264.413 3.125 10 0 CGAELP CC[C@H](C[NH2+]C(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000052419076 522188038 /nfs/dbraw/zinc/18/80/38/522188038.db2.gz XRIGPTAOWYFQJU-MRXNPFEDSA-N 2 2 260.425 3.211 10 0 CGAELP CC[C@H](C[NH2+]C(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC000052419076 522188051 /nfs/dbraw/zinc/18/80/51/522188051.db2.gz XRIGPTAOWYFQJU-MRXNPFEDSA-N 2 2 260.425 3.211 10 0 CGAELP C[NH2+][C@@H]1CCCCCC[C@@H]1[NH+]1CCC(C)(C)CC1 ZINC000061819526 522376994 /nfs/dbraw/zinc/37/69/94/522376994.db2.gz DVLNRGQRTULJMM-CABCVRRESA-N 2 2 252.446 3.419 10 0 CGAELP CCC[NH2+]C1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000061363801 519907006 /nfs/dbraw/zinc/90/70/06/519907006.db2.gz KUFVQCSTPXHCEQ-GFCCVEGCSA-N 2 2 252.427 3.273 10 0 CGAELP CCC[NH2+]C[C@@H](C)[N@H+](C)Cc1ccc(Br)cc1 ZINC000052371715 519920289 /nfs/dbraw/zinc/92/02/89/519920289.db2.gz ZPAPUXOLNSCPEX-GFCCVEGCSA-N 2 2 299.256 3.269 10 0 CGAELP CCC[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000052371715 519920292 /nfs/dbraw/zinc/92/02/92/519920292.db2.gz ZPAPUXOLNSCPEX-GFCCVEGCSA-N 2 2 299.256 3.269 10 0 CGAELP CC[NH2+][C@H]1CC[N@H+]([C@@H](C)c2cc(C)sc2C)C1 ZINC000049508939 520216567 /nfs/dbraw/zinc/21/65/67/520216567.db2.gz CCLIGQGEJCPULW-AAEUAGOBSA-N 2 2 252.427 3.110 10 0 CGAELP CC/C=C/CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000184566949 520200277 /nfs/dbraw/zinc/20/02/77/520200277.db2.gz GJWNTDJMCOMHDK-NHZBNJEXSA-N 2 2 259.397 3.172 10 0 CGAELP CC/C=C/CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000184566949 520200284 /nfs/dbraw/zinc/20/02/84/520200284.db2.gz GJWNTDJMCOMHDK-NHZBNJEXSA-N 2 2 259.397 3.172 10 0 CGAELP CC[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2cc(C)sc2C)C1 ZINC000049508939 520216558 /nfs/dbraw/zinc/21/65/58/520216558.db2.gz CCLIGQGEJCPULW-AAEUAGOBSA-N 2 2 252.427 3.110 10 0 CGAELP CCc1[nH+]c2ccccc2n1[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000062807345 522507937 /nfs/dbraw/zinc/50/79/37/522507937.db2.gz TZVPHLPQMKUKAH-TZMCWYRMSA-N 2 2 257.381 3.289 10 0 CGAELP CC1(C)CC[C@@H]([NH2+][C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000163642381 529029409 /nfs/dbraw/zinc/02/94/09/529029409.db2.gz ZFDVRWHFELPTED-MSOLQXFVSA-N 2 2 286.463 3.472 10 0 CGAELP CC1(C)CC[C@@H]([NH2+][C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000163642381 529029415 /nfs/dbraw/zinc/02/94/15/529029415.db2.gz ZFDVRWHFELPTED-MSOLQXFVSA-N 2 2 286.463 3.472 10 0 CGAELP Cc1cccc([C@H]2[C@H]([NH3+])CC[N@@H+]2Cc2ccccc2)c1 ZINC000096947854 185137568 /nfs/dbraw/zinc/13/75/68/185137568.db2.gz JGLYJTNUHMKDRV-MSOLQXFVSA-N 2 2 266.388 3.269 10 0 CGAELP Cc1cccc([C@H]2[C@H]([NH3+])CC[N@H+]2Cc2ccccc2)c1 ZINC000096947854 185137570 /nfs/dbraw/zinc/13/75/70/185137570.db2.gz JGLYJTNUHMKDRV-MSOLQXFVSA-N 2 2 266.388 3.269 10 0 CGAELP c1ccc(C(c2ccccc2)[NH+]2CC(C[NH+]3CCC3)C2)cc1 ZINC000088260407 345758391 /nfs/dbraw/zinc/75/83/91/345758391.db2.gz NMUSJJPWDIMKJZ-UHFFFAOYSA-N 2 2 292.426 3.414 10 0 CGAELP C[C@@H]1[N@H+](Cc2ccccc2)CC[C@]12[NH2+]CCc1sccc12 ZINC000307546736 346463723 /nfs/dbraw/zinc/46/37/23/346463723.db2.gz BQQVENUDELYOPD-KSSFIOAISA-N 2 2 298.455 3.384 10 0 CGAELP C[C@@H]1[N@@H+](Cc2ccccc2)CC[C@]12[NH2+]CCc1sccc12 ZINC000307546736 346463726 /nfs/dbraw/zinc/46/37/26/346463726.db2.gz BQQVENUDELYOPD-KSSFIOAISA-N 2 2 298.455 3.384 10 0 CGAELP C[N@H+](CC1CCCC1)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000104436298 186001164 /nfs/dbraw/zinc/00/11/64/186001164.db2.gz CZTHQVHARKZGAK-HNNXBMFYSA-N 2 2 266.816 3.462 10 0 CGAELP C[N@@H+](CC1CCCC1)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000104436298 186001166 /nfs/dbraw/zinc/00/11/66/186001166.db2.gz CZTHQVHARKZGAK-HNNXBMFYSA-N 2 2 266.816 3.462 10 0 CGAELP Cc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3ccc(C)cn23)o1 ZINC000155678288 188221289 /nfs/dbraw/zinc/22/12/89/188221289.db2.gz IJHIUXUABHHTHJ-ZDUSSCGKSA-N 2 2 269.348 3.395 10 0 CGAELP Fc1ccccc1C1=CC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000127623479 138390115 /nfs/dbraw/zinc/39/01/15/138390115.db2.gz YVZJSMMQHYLMAK-UHFFFAOYSA-N 2 2 285.366 3.202 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc(C)cs2)C1 ZINC000130612964 371046268 /nfs/dbraw/zinc/04/62/68/371046268.db2.gz RIOMZWCXJJBVCG-CYBMUJFWSA-N 2 2 290.436 3.048 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nc(C)cs2)C1 ZINC000130612964 371046278 /nfs/dbraw/zinc/04/62/78/371046278.db2.gz RIOMZWCXJJBVCG-CYBMUJFWSA-N 2 2 290.436 3.048 10 0 CGAELP c1ccc(NC[C@@H]2CC[N@H+](CC3CCCC3)C2)[nH+]c1 ZINC000170778924 372661455 /nfs/dbraw/zinc/66/14/55/372661455.db2.gz SDRJOSRWJZSIPN-HNNXBMFYSA-N 2 2 259.397 3.006 10 0 CGAELP c1ccc(NC[C@@H]2CC[N@@H+](CC3CCCC3)C2)[nH+]c1 ZINC000170778924 372661465 /nfs/dbraw/zinc/66/14/65/372661465.db2.gz SDRJOSRWJZSIPN-HNNXBMFYSA-N 2 2 259.397 3.006 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)Cc2ccc(Cl)cc2)C1 ZINC000300415191 373632533 /nfs/dbraw/zinc/63/25/33/373632533.db2.gz SMWUFGCMQJOHQX-CJNGLKHVSA-N 2 2 280.843 3.345 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)Cc2ccc(Cl)cc2)C1 ZINC000300415191 373632540 /nfs/dbraw/zinc/63/25/40/373632540.db2.gz SMWUFGCMQJOHQX-CJNGLKHVSA-N 2 2 280.843 3.345 10 0 CGAELP COc1ccc([C@@H]2C[C@H](C)[N@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000183180356 374382216 /nfs/dbraw/zinc/38/22/16/374382216.db2.gz HPARXYTXXYNSKR-DOTOQJQBSA-N 2 2 299.418 3.160 10 0 CGAELP COc1ccc([C@@H]2C[C@H](C)[N@@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000183180356 374382221 /nfs/dbraw/zinc/38/22/21/374382221.db2.gz HPARXYTXXYNSKR-DOTOQJQBSA-N 2 2 299.418 3.160 10 0 CGAELP CSc1ccc([C@@H](C[NH3+])[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000216068719 376157693 /nfs/dbraw/zinc/15/76/93/376157693.db2.gz QGKPXONURACXJE-SWLSCSKDSA-N 2 2 264.438 3.283 10 0 CGAELP CSc1ccc([C@@H](C[NH3+])[N@H+]2CCCC[C@@H]2C)cc1 ZINC000216068719 376157698 /nfs/dbraw/zinc/15/76/98/376157698.db2.gz QGKPXONURACXJE-SWLSCSKDSA-N 2 2 264.438 3.283 10 0 CGAELP CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000231674957 376565136 /nfs/dbraw/zinc/56/51/36/376565136.db2.gz UOHIGMUISCDWIM-GDBMZVCRSA-N 2 2 255.365 3.151 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H]1CCc2ccc(F)cc21 ZINC000247178987 377171734 /nfs/dbraw/zinc/17/17/34/377171734.db2.gz VTSKMNGCCQSBAE-WMZOPIPTSA-N 2 2 299.393 3.483 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H]1CCc2ccc(F)cc21 ZINC000247178987 377171737 /nfs/dbraw/zinc/17/17/37/377171737.db2.gz VTSKMNGCCQSBAE-WMZOPIPTSA-N 2 2 299.393 3.483 10 0 CGAELP Cn1c[nH+]c(CC[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)c1 ZINC000313253538 249089831 /nfs/dbraw/zinc/08/98/31/249089831.db2.gz NHORFNKANHCPEU-CABCVRRESA-N 2 2 263.429 3.157 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000389277381 379896756 /nfs/dbraw/zinc/89/67/56/379896756.db2.gz STJIUEPUNZTGCF-JQWIXIFHSA-N 2 2 270.779 3.224 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000389277381 379896759 /nfs/dbraw/zinc/89/67/59/379896759.db2.gz STJIUEPUNZTGCF-JQWIXIFHSA-N 2 2 270.779 3.224 10 0 CGAELP Cc1[nH+]c2ccccc2n1CC[NH2+]CCc1ccccc1 ZINC000020186629 171050922 /nfs/dbraw/zinc/05/09/22/171050922.db2.gz GNHVBOSTRKQAEX-UHFFFAOYSA-N 2 2 279.387 3.177 10 0 CGAELP C[N@H+](CC1CCCCC1)[C@@H](C[NH3+])c1cccs1 ZINC000020225346 171087223 /nfs/dbraw/zinc/08/72/23/171087223.db2.gz TXPRIFRYQVWOIR-ZDUSSCGKSA-N 2 2 252.427 3.260 10 0 CGAELP C[N@@H+](CC1CCCCC1)[C@@H](C[NH3+])c1cccs1 ZINC000020225346 171087226 /nfs/dbraw/zinc/08/72/26/171087226.db2.gz TXPRIFRYQVWOIR-ZDUSSCGKSA-N 2 2 252.427 3.260 10 0 CGAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)CC2CCCCC2)cc1 ZINC000020225884 171089710 /nfs/dbraw/zinc/08/97/10/171089710.db2.gz GWGICVBMVXNIHQ-QGZVFWFLSA-N 2 2 276.424 3.207 10 0 CGAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)CC2CCCCC2)cc1 ZINC000020225884 171089712 /nfs/dbraw/zinc/08/97/12/171089712.db2.gz GWGICVBMVXNIHQ-QGZVFWFLSA-N 2 2 276.424 3.207 10 0 CGAELP CCC1CCC(C[NH3+])([NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000020557463 171250264 /nfs/dbraw/zinc/25/02/64/171250264.db2.gz UORMDBUNRHXFKM-WXLSXGNJSA-N 2 2 252.446 3.262 10 0 CGAELP Cc1ccc(C[N@@H+](C)[C@](C)(C[NH3+])CCC(C)C)o1 ZINC000035699552 172367910 /nfs/dbraw/zinc/36/79/10/172367910.db2.gz LITVKAXEEDCARU-HNNXBMFYSA-N 2 2 252.402 3.173 10 0 CGAELP Cc1ccc(C[N@H+](C)[C@](C)(C[NH3+])CCC(C)C)o1 ZINC000035699552 172367912 /nfs/dbraw/zinc/36/79/12/172367912.db2.gz LITVKAXEEDCARU-HNNXBMFYSA-N 2 2 252.402 3.173 10 0 CGAELP Cc1ncsc1[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000037314079 173115722 /nfs/dbraw/zinc/11/57/22/173115722.db2.gz MXBXDQMXOZXDEA-UPJWGTAASA-N 2 2 276.409 3.092 10 0 CGAELP Cc1ncsc1[C@@H](C)[NH2+][C@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000037314081 173115992 /nfs/dbraw/zinc/11/59/92/173115992.db2.gz MXBXDQMXOZXDEA-AGIUHOORSA-N 2 2 276.409 3.092 10 0 CGAELP CC(C)Cc1ccc([C@H](C[NH3+])[NH+]2CCCCC2)cc1 ZINC000071587085 176214421 /nfs/dbraw/zinc/21/44/21/176214421.db2.gz AAXPYITUOPZLPH-KRWDZBQOSA-N 2 2 260.425 3.371 10 0 CGAELP COc1ccc([C@H](C)[NH2+][C@H](CC(C)C)C[NH+](C)C)cc1 ZINC000037167128 270028846 /nfs/dbraw/zinc/02/88/46/270028846.db2.gz UAZVALKDDXIPDG-GOEBONIOSA-N 2 2 278.440 3.322 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000227871573 276375955 /nfs/dbraw/zinc/37/59/55/276375955.db2.gz NMUBGZXPAUSHOK-OAGGEKHMSA-N 2 2 250.430 3.029 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000227871573 276375957 /nfs/dbraw/zinc/37/59/57/276375957.db2.gz NMUBGZXPAUSHOK-OAGGEKHMSA-N 2 2 250.430 3.029 10 0 CGAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1cccc(Cl)c1 ZINC000396673360 288015337 /nfs/dbraw/zinc/01/53/37/288015337.db2.gz RPGWOPBTTIAGLC-MISXGVKJSA-N 2 2 252.789 3.131 10 0 CGAELP CC(C)[N@H+](Cc1cccs1)[C@H](C)C[NH2+]C1CC1 ZINC000052544924 519661855 /nfs/dbraw/zinc/66/18/55/519661855.db2.gz UGLTYTXUDFARMU-GFCCVEGCSA-N 2 2 252.427 3.099 10 0 CGAELP CC(C)[N@@H+](Cc1cccs1)[C@H](C)C[NH2+]C1CC1 ZINC000052544924 519661856 /nfs/dbraw/zinc/66/18/56/519661856.db2.gz UGLTYTXUDFARMU-GFCCVEGCSA-N 2 2 252.427 3.099 10 0 CGAELP CCC[NH2+][C@H]1CC[N@@H+]([C@@H](CC)c2cccs2)C1 ZINC000049530939 520094834 /nfs/dbraw/zinc/09/48/34/520094834.db2.gz DAFWPGOIJWFAOA-STQMWFEESA-N 2 2 252.427 3.273 10 0 CGAELP CCC[NH2+][C@H]1CC[N@H+]([C@@H](CC)c2cccs2)C1 ZINC000049530939 520094845 /nfs/dbraw/zinc/09/48/45/520094845.db2.gz DAFWPGOIJWFAOA-STQMWFEESA-N 2 2 252.427 3.273 10 0 CGAELP Cc1cc([C@H](C[NH3+])[N@H+](C)CC(C)(C)C)ccc1F ZINC000050558602 525537061 /nfs/dbraw/zinc/53/70/61/525537061.db2.gz FONFUPJYKZQFSP-AWEZNQCLSA-N 2 2 252.377 3.112 10 0 CGAELP Cc1cc([C@H](C[NH3+])[N@@H+](C)CC(C)(C)C)ccc1F ZINC000050558602 525537071 /nfs/dbraw/zinc/53/70/71/525537071.db2.gz FONFUPJYKZQFSP-AWEZNQCLSA-N 2 2 252.377 3.112 10 0 CGAELP CC[NH+](CC)CCSCc1[nH+]ccn1C(C)C ZINC000176947787 528164254 /nfs/dbraw/zinc/16/42/54/528164254.db2.gz OORIMUSQFPIDSZ-UHFFFAOYSA-N 2 2 255.431 3.039 10 0 CGAELP C[NH+](C)C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000311892929 572871444 /nfs/dbraw/zinc/87/14/44/572871444.db2.gz WRCWVHUSSQUGHE-HZMVEIRTSA-N 2 2 258.409 3.068 10 0 CGAELP Fc1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)ccc1Cl ZINC000188410220 542247612 /nfs/dbraw/zinc/24/76/12/542247612.db2.gz YNKZYPJUITTWRQ-ZDUSSCGKSA-N 2 2 293.773 3.340 10 0 CGAELP Fc1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)ccc1Cl ZINC000188410220 542247618 /nfs/dbraw/zinc/24/76/18/542247618.db2.gz YNKZYPJUITTWRQ-ZDUSSCGKSA-N 2 2 293.773 3.340 10 0 CGAELP c1[nH]cc(CC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000141724366 346109197 /nfs/dbraw/zinc/10/91/97/346109197.db2.gz DMJWYEBXFILBND-INIZCTEOSA-N 2 2 269.392 3.255 10 0 CGAELP c1[nH]cc(CC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000141724366 346109198 /nfs/dbraw/zinc/10/91/98/346109198.db2.gz DMJWYEBXFILBND-INIZCTEOSA-N 2 2 269.392 3.255 10 0 CGAELP c1[nH]c(CC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000141724366 346109199 /nfs/dbraw/zinc/10/91/99/346109199.db2.gz DMJWYEBXFILBND-INIZCTEOSA-N 2 2 269.392 3.255 10 0 CGAELP c1[nH]c(CC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000141724366 346109200 /nfs/dbraw/zinc/10/92/00/346109200.db2.gz DMJWYEBXFILBND-INIZCTEOSA-N 2 2 269.392 3.255 10 0 CGAELP Nc1cccc([C@H]2CCC[N@H+](Cc3ccccc3)CC2)[nH+]1 ZINC000616600507 348841701 /nfs/dbraw/zinc/84/17/01/348841701.db2.gz BNYNOYQIQWEHKN-INIZCTEOSA-N 2 2 281.403 3.434 10 0 CGAELP Nc1cccc([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)[nH+]1 ZINC000616600507 348841704 /nfs/dbraw/zinc/84/17/04/348841704.db2.gz BNYNOYQIQWEHKN-INIZCTEOSA-N 2 2 281.403 3.434 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccccc2OC)C1 ZINC000122932944 187060581 /nfs/dbraw/zinc/06/05/81/187060581.db2.gz OSNCYVBZBQPHDU-INIZCTEOSA-N 2 2 299.418 3.291 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccccc2OC)C1 ZINC000122932944 187060582 /nfs/dbraw/zinc/06/05/82/187060582.db2.gz OSNCYVBZBQPHDU-INIZCTEOSA-N 2 2 299.418 3.291 10 0 CGAELP Cc1cc[nH+]c(NCCc2[nH]c3ccc(F)cc3[nH+]2)c1 ZINC000301743584 201172238 /nfs/dbraw/zinc/17/22/38/201172238.db2.gz ZIWXHESPZFAGRR-UHFFFAOYSA-N 2 2 270.311 3.060 10 0 CGAELP CCOc1ccc([C@@H](C[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000022854012 368812887 /nfs/dbraw/zinc/81/28/87/368812887.db2.gz ZJYXNAAZHPSOBU-JKIFEVAISA-N 2 2 276.424 3.063 10 0 CGAELP CCOc1ccc([C@@H](C[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000022854012 368812892 /nfs/dbraw/zinc/81/28/92/368812892.db2.gz ZJYXNAAZHPSOBU-JKIFEVAISA-N 2 2 276.424 3.063 10 0 CGAELP Cc1cccc(C2CC([NH2+]CCCn3cc[nH+]c3)C2)c1 ZINC000036845747 369033745 /nfs/dbraw/zinc/03/37/45/369033745.db2.gz MINZVILYMDANHQ-UHFFFAOYSA-N 2 2 269.392 3.117 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(Cl)c2)C1 ZINC000328508358 374366240 /nfs/dbraw/zinc/36/62/40/374366240.db2.gz MKDXXEZGCMTWMH-FZMZJTMJSA-N 2 2 252.789 3.085 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(Cl)c2)C1 ZINC000328508358 374366246 /nfs/dbraw/zinc/36/62/46/374366246.db2.gz MKDXXEZGCMTWMH-FZMZJTMJSA-N 2 2 252.789 3.085 10 0 CGAELP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246919047 377119479 /nfs/dbraw/zinc/11/94/79/377119479.db2.gz GPQISQIHPAWCPF-DFGXFYAUSA-N 2 2 289.467 3.316 10 0 CGAELP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246919047 377119486 /nfs/dbraw/zinc/11/94/86/377119486.db2.gz GPQISQIHPAWCPF-DFGXFYAUSA-N 2 2 289.467 3.316 10 0 CGAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)Cc2ccccc2F)C1 ZINC000247186194 377174414 /nfs/dbraw/zinc/17/44/14/377174414.db2.gz VMIICBHKMJCQBT-CKEIUWERSA-N 2 2 278.415 3.075 10 0 CGAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)Cc2ccccc2F)C1 ZINC000247186194 377174417 /nfs/dbraw/zinc/17/44/17/377174417.db2.gz VMIICBHKMJCQBT-CKEIUWERSA-N 2 2 278.415 3.075 10 0 CGAELP c1cn2c(cccc2C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)[nH+]1 ZINC000252733828 377660000 /nfs/dbraw/zinc/66/00/00/377660000.db2.gz ITRXDMBNPDMTKI-HUUCEWRRSA-N 2 2 287.432 3.194 10 0 CGAELP c1cn2c(cccc2C[N@H+]2CCS[C@@H]3CCCC[C@H]32)[nH+]1 ZINC000252733828 377660004 /nfs/dbraw/zinc/66/00/04/377660004.db2.gz ITRXDMBNPDMTKI-HUUCEWRRSA-N 2 2 287.432 3.194 10 0 CGAELP C[N@H+](CC[NH2+][C@@H]1CCc2c1cccc2O)Cc1ccccc1 ZINC000270730471 378394883 /nfs/dbraw/zinc/39/48/83/378394883.db2.gz FGERRIMMJVRGJW-GOSISDBHSA-N 2 2 296.414 3.101 10 0 CGAELP C[N@@H+](CC[NH2+][C@@H]1CCc2c1cccc2O)Cc1ccccc1 ZINC000270730471 378394886 /nfs/dbraw/zinc/39/48/86/378394886.db2.gz FGERRIMMJVRGJW-GOSISDBHSA-N 2 2 296.414 3.101 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000106212478 392299656 /nfs/dbraw/zinc/29/96/56/392299656.db2.gz BGFMUQZGBSYVJV-INIZCTEOSA-N 2 2 287.382 3.422 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000106212478 392299660 /nfs/dbraw/zinc/29/96/60/392299660.db2.gz BGFMUQZGBSYVJV-INIZCTEOSA-N 2 2 287.382 3.422 10 0 CGAELP Cc1cc(N2C[C@H]([NH+](C)C)[C@@H](C)C2)c2cccc(F)c2[nH+]1 ZINC000301682358 392597047 /nfs/dbraw/zinc/59/70/47/392597047.db2.gz SLWSRLVBFXGSEP-ZBEGNZNMSA-N 2 2 287.382 3.069 10 0 CGAELP CC(C)CC(CC(C)C)[NH2+][C@@H]1C[NH+]2CCC1CC2 ZINC000020091010 170990139 /nfs/dbraw/zinc/99/01/39/170990139.db2.gz BEAJCUDPSLIFLJ-MRXNPFEDSA-N 2 2 252.446 3.131 10 0 CGAELP COc1cccc(C[N@H+](C)[C@H](C[NH3+])c2ccc(C)cc2)c1 ZINC000020225561 171088507 /nfs/dbraw/zinc/08/85/07/171088507.db2.gz HELWYQDCNFVERL-GOSISDBHSA-N 2 2 284.403 3.135 10 0 CGAELP COc1cccc(C[N@@H+](C)[C@H](C[NH3+])c2ccc(C)cc2)c1 ZINC000020225561 171088508 /nfs/dbraw/zinc/08/85/08/171088508.db2.gz HELWYQDCNFVERL-GOSISDBHSA-N 2 2 284.403 3.135 10 0 CGAELP Cc1ccc([C@H](C[NH3+])[N@H+](C)Cc2ccccc2C)cc1 ZINC000020225540 171088656 /nfs/dbraw/zinc/08/86/56/171088656.db2.gz JMWYMQDXJMGEMP-SFHVURJKSA-N 2 2 268.404 3.435 10 0 CGAELP Cc1ccc([C@H](C[NH3+])[N@@H+](C)Cc2ccccc2C)cc1 ZINC000020225540 171088657 /nfs/dbraw/zinc/08/86/57/171088657.db2.gz JMWYMQDXJMGEMP-SFHVURJKSA-N 2 2 268.404 3.435 10 0 CGAELP CC(C)C[N@H+](C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000020226524 171091099 /nfs/dbraw/zinc/09/10/99/171091099.db2.gz IJGQDCJFVQUFOK-ZDUSSCGKSA-N 2 2 285.229 3.037 10 0 CGAELP CC(C)C[N@@H+](C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000020226524 171091101 /nfs/dbraw/zinc/09/11/01/171091101.db2.gz IJGQDCJFVQUFOK-ZDUSSCGKSA-N 2 2 285.229 3.037 10 0 CGAELP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C[NH+](C)C)c1ccccc1 ZINC000021802295 171326409 /nfs/dbraw/zinc/32/64/09/171326409.db2.gz DAUSYHNBGKSOOU-PVAVHDDUSA-N 2 2 260.425 3.458 10 0 CGAELP CC1CC[NH+]([C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2[NH3+])CC1 ZINC000021805096 171327051 /nfs/dbraw/zinc/32/70/51/171327051.db2.gz ANKYCEOCRDQYOH-QLFBSQMISA-N 2 2 252.446 3.260 10 0 CGAELP CC[N@H+]([C@H](C[NH3+])c1ccc(C)o1)C1CCCCC1 ZINC000022164781 171365130 /nfs/dbraw/zinc/36/51/30/171365130.db2.gz XBQGQMACQLKGAL-CQSZACIVSA-N 2 2 250.386 3.242 10 0 CGAELP CC[N@@H+]([C@H](C[NH3+])c1ccc(C)o1)C1CCCCC1 ZINC000022164781 171365132 /nfs/dbraw/zinc/36/51/32/171365132.db2.gz XBQGQMACQLKGAL-CQSZACIVSA-N 2 2 250.386 3.242 10 0 CGAELP [NH3+][C@H](Cc1ccccc1)[C@H](c1ccccc1)n1cc[nH+]c1 ZINC000022565207 171391760 /nfs/dbraw/zinc/39/17/60/171391760.db2.gz FNZASKVUDGTAEV-MSOLQXFVSA-N 2 2 277.371 3.043 10 0 CGAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccccc1Br ZINC000035570438 172266123 /nfs/dbraw/zinc/26/61/23/172266123.db2.gz NRJAUFHSZAFMFE-GFCCVEGCSA-N 2 2 294.196 3.066 10 0 CGAELP CC(C)Cn1c2cc(Cl)ccc2[nH+]c1CCC[NH3+] ZINC000040417754 174256605 /nfs/dbraw/zinc/25/66/05/174256605.db2.gz CLPALVNTAPQIBQ-UHFFFAOYSA-N 2 2 265.788 3.237 10 0 CGAELP CCCCC[N@H+](C)[C@@H](c1ccccc1F)[C@@H](C)[NH3+] ZINC000043043174 174955152 /nfs/dbraw/zinc/95/51/52/174955152.db2.gz UHEOGZBZHLULNO-IUODEOHRSA-N 2 2 252.377 3.336 10 0 CGAELP CCCCC[N@@H+](C)[C@@H](c1ccccc1F)[C@@H](C)[NH3+] ZINC000043043174 174955154 /nfs/dbraw/zinc/95/51/54/174955154.db2.gz UHEOGZBZHLULNO-IUODEOHRSA-N 2 2 252.377 3.336 10 0 CGAELP Cc1cc[nH+]c(NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC000043561588 175066307 /nfs/dbraw/zinc/06/63/07/175066307.db2.gz UZIBPNKGUZAJFO-ZBFHGGJFSA-N 2 2 261.413 3.312 10 0 CGAELP CCc1ccc([C@H](C)[N@@H+](CC)[C@@H]2CC[NH2+]C2)s1 ZINC000071312352 176119301 /nfs/dbraw/zinc/11/93/01/176119301.db2.gz TYYNLALNNOMLRU-NWDGAFQWSA-N 2 2 252.427 3.055 10 0 CGAELP CCc1ccc([C@H](C)[N@H+](CC)[C@@H]2CC[NH2+]C2)s1 ZINC000071312352 176119303 /nfs/dbraw/zinc/11/93/03/176119303.db2.gz TYYNLALNNOMLRU-NWDGAFQWSA-N 2 2 252.427 3.055 10 0 CGAELP CC(C)[NH2+]C[C@@H]([NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000725269530 544114668 /nfs/dbraw/zinc/11/46/68/544114668.db2.gz VAPOINSPDNKFQH-CQSZACIVSA-N 2 2 252.789 3.131 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)c2cc(C)sc2C)C1 ZINC000249612456 276376119 /nfs/dbraw/zinc/37/61/19/276376119.db2.gz DRLNVAMKLOYCEF-OCCSQVGLSA-N 2 2 266.454 3.500 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)c2cc(C)sc2C)C1 ZINC000249612456 276376120 /nfs/dbraw/zinc/37/61/20/276376120.db2.gz DRLNVAMKLOYCEF-OCCSQVGLSA-N 2 2 266.454 3.500 10 0 CGAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1ccc(Br)cc1 ZINC000396621248 288014706 /nfs/dbraw/zinc/01/47/06/288014706.db2.gz IUAPBOZMMNQSCW-WDMOLILDSA-N 2 2 297.240 3.240 10 0 CGAELP Cc1cc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@@H]2C)c(C)s1 ZINC000396666853 288015087 /nfs/dbraw/zinc/01/50/87/288015087.db2.gz PDJHXAPMSARHFX-WDMOLILDSA-N 2 2 252.427 3.156 10 0 CGAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000396574190 288014073 /nfs/dbraw/zinc/01/40/73/288014073.db2.gz MGXAJXAOWQAGDV-MJVIPROJSA-N 2 2 286.341 3.497 10 0 CGAELP C[C@H]([NH2+][C@H](C[NH+](C)C)c1ccccc1)[C@H]1CC1(C)C ZINC000397781025 288030492 /nfs/dbraw/zinc/03/04/92/288030492.db2.gz OKTHQWWLRUDERX-NUEKZKHPSA-N 2 2 260.425 3.314 10 0 CGAELP CC(C)C[NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2sccc2C1 ZINC000052382850 519744628 /nfs/dbraw/zinc/74/46/28/519744628.db2.gz CRWYKANSBGRHIN-HNNXBMFYSA-N 2 2 280.481 3.376 10 0 CGAELP CC(C)C[NH2+]C[C@@H](C(C)C)[N@H+]1CCc2sccc2C1 ZINC000052382850 519744629 /nfs/dbraw/zinc/74/46/29/519744629.db2.gz CRWYKANSBGRHIN-HNNXBMFYSA-N 2 2 280.481 3.376 10 0 CGAELP CCC[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1F ZINC000052541496 519919560 /nfs/dbraw/zinc/91/95/60/519919560.db2.gz SBUBIWAWLKWVNV-ZDUSSCGKSA-N 2 2 252.377 3.036 10 0 CGAELP CCC[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1F ZINC000052541496 519919561 /nfs/dbraw/zinc/91/95/61/519919561.db2.gz SBUBIWAWLKWVNV-ZDUSSCGKSA-N 2 2 252.377 3.036 10 0 CGAELP C[NH2+]C[C@H](C(C)C)[N@H+](C)Cc1ccc(Cl)s1 ZINC000052508813 522063707 /nfs/dbraw/zinc/06/37/07/522063707.db2.gz SJHVJOJRSYUXFT-LLVKDONJSA-N 2 2 260.834 3.077 10 0 CGAELP C[NH2+]C[C@H](C(C)C)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000052508813 522063717 /nfs/dbraw/zinc/06/37/17/522063717.db2.gz SJHVJOJRSYUXFT-LLVKDONJSA-N 2 2 260.834 3.077 10 0 CGAELP Cc1oc(C[N@@H+](C)Cc2ccccc2Cl)cc1C[NH3+] ZINC000052371946 526770059 /nfs/dbraw/zinc/77/00/59/526770059.db2.gz YAXUBBNLUNJWQX-UHFFFAOYSA-N 2 2 278.783 3.332 10 0 CGAELP Cc1oc(C[N@H+](C)Cc2ccccc2Cl)cc1C[NH3+] ZINC000052371946 526770067 /nfs/dbraw/zinc/77/00/67/526770067.db2.gz YAXUBBNLUNJWQX-UHFFFAOYSA-N 2 2 278.783 3.332 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc3nc(C)ccc3c2)C1 ZINC000097861512 535538538 /nfs/dbraw/zinc/53/85/38/535538538.db2.gz TVYAPTORGXMYLR-QGZVFWFLSA-N 2 2 283.419 3.117 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+]Cc2ccc3nc(C)ccc3c2)C1 ZINC000097861512 535538545 /nfs/dbraw/zinc/53/85/45/535538545.db2.gz TVYAPTORGXMYLR-QGZVFWFLSA-N 2 2 283.419 3.117 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000223146727 618191814 /nfs/dbraw/zinc/19/18/14/618191814.db2.gz YYGFZDUFPPTIEV-RHSMWYFYSA-N 2 2 280.431 3.323 10 0 CGAELP Cc1ccc([C@@H]2[C@@H]([NH3+])CC[N@@H+]2Cc2ccccc2)cc1 ZINC000096947864 185137284 /nfs/dbraw/zinc/13/72/84/185137284.db2.gz BXJMGLNFVJVTDD-ZWKOTPCHSA-N 2 2 266.388 3.269 10 0 CGAELP Cc1ccc([C@@H]2[C@@H]([NH3+])CC[N@H+]2Cc2ccccc2)cc1 ZINC000096947864 185137286 /nfs/dbraw/zinc/13/72/86/185137286.db2.gz BXJMGLNFVJVTDD-ZWKOTPCHSA-N 2 2 266.388 3.269 10 0 CGAELP Cc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c(C)c1 ZINC000188399488 542248084 /nfs/dbraw/zinc/24/80/84/542248084.db2.gz KIIRDXUVVFWLJN-QGZVFWFLSA-N 2 2 269.392 3.165 10 0 CGAELP Cc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c(C)c1 ZINC000188399488 542248085 /nfs/dbraw/zinc/24/80/85/542248085.db2.gz KIIRDXUVVFWLJN-QGZVFWFLSA-N 2 2 269.392 3.165 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]Cc1ccnc2ccccc12 ZINC000111763664 345950817 /nfs/dbraw/zinc/95/08/17/345950817.db2.gz IJORBPVEBXPUQH-MRXNPFEDSA-N 2 2 285.435 3.301 10 0 CGAELP CC1(C)CSC2(CC[NH+](Cc3ccccc3)CC2)[NH2+]1 ZINC000159198799 346166966 /nfs/dbraw/zinc/16/69/66/346166966.db2.gz ZTKKSGKOBYMPAV-UHFFFAOYSA-N 2 2 276.449 3.094 10 0 CGAELP [NH3+]CC[N@@H+]1CCCCC[C@@H]1c1cccc2cnccc21 ZINC000616623812 348849776 /nfs/dbraw/zinc/84/97/76/348849776.db2.gz ILFGPTVHHZCMLT-QGZVFWFLSA-N 2 2 269.392 3.111 10 0 CGAELP [NH3+]CC[N@H+]1CCCCC[C@@H]1c1cccc2cnccc21 ZINC000616623812 348849779 /nfs/dbraw/zinc/84/97/79/348849779.db2.gz ILFGPTVHHZCMLT-QGZVFWFLSA-N 2 2 269.392 3.111 10 0 CGAELP [NH3+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000091691243 180227352 /nfs/dbraw/zinc/22/73/52/180227352.db2.gz ORFXGILBKAILLP-IAGOWNOFSA-N 2 2 286.806 3.267 10 0 CGAELP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000091691243 180227355 /nfs/dbraw/zinc/22/73/55/180227355.db2.gz ORFXGILBKAILLP-IAGOWNOFSA-N 2 2 286.806 3.267 10 0 CGAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](CC)C2)C12CCCCC2 ZINC000226812577 138500217 /nfs/dbraw/zinc/50/02/17/138500217.db2.gz LLPVXYOPMNYXMC-IXDOHACOSA-N 2 2 294.483 3.188 10 0 CGAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](CC)C2)C12CCCCC2 ZINC000226812577 138500218 /nfs/dbraw/zinc/50/02/18/138500218.db2.gz LLPVXYOPMNYXMC-IXDOHACOSA-N 2 2 294.483 3.188 10 0 CGAELP c1[nH]c(CCC2CC[NH+](Cc3ccccc3)CC2)c[nH+]1 ZINC000013612864 368658679 /nfs/dbraw/zinc/65/86/79/368658679.db2.gz NKMDTVBCCZUNIE-UHFFFAOYSA-N 2 2 269.392 3.255 10 0 CGAELP c1[nH]cc(CCC2CC[NH+](Cc3ccccc3)CC2)[nH+]1 ZINC000013612864 368658684 /nfs/dbraw/zinc/65/86/84/368658684.db2.gz NKMDTVBCCZUNIE-UHFFFAOYSA-N 2 2 269.392 3.255 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC000040502049 369156417 /nfs/dbraw/zinc/15/64/17/369156417.db2.gz PLSGFCIDXCMJBF-INIZCTEOSA-N 2 2 260.425 3.186 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC000040502049 369156421 /nfs/dbraw/zinc/15/64/21/369156421.db2.gz PLSGFCIDXCMJBF-INIZCTEOSA-N 2 2 260.425 3.186 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000040502676 369157814 /nfs/dbraw/zinc/15/78/14/369157814.db2.gz SAVLCFANAKDFNF-AQFXKWCLSA-N 2 2 258.409 3.007 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000040502676 369157826 /nfs/dbraw/zinc/15/78/26/369157826.db2.gz SAVLCFANAKDFNF-AQFXKWCLSA-N 2 2 258.409 3.007 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+]C2CC(c3ccc(C)cc3)C2)C1 ZINC000040502678 369158463 /nfs/dbraw/zinc/15/84/63/369158463.db2.gz BEFAGJFIUZFTEP-LXPRWKDFSA-N 2 2 272.436 3.315 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+]C2CC(c3ccc(C)cc3)C2)C1 ZINC000040502678 369158465 /nfs/dbraw/zinc/15/84/65/369158465.db2.gz BEFAGJFIUZFTEP-LXPRWKDFSA-N 2 2 272.436 3.315 10 0 CGAELP CC1CCC(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000063144685 369641934 /nfs/dbraw/zinc/64/19/34/369641934.db2.gz GRGPREJPIOJTQN-UHFFFAOYSA-N 2 2 287.451 3.466 10 0 CGAELP Cc1ccc(-c2nc(N[C@H]3CCC[NH2+]C3)c(C)c(C)[nH+]2)cc1 ZINC000070456426 369800925 /nfs/dbraw/zinc/80/09/25/369800925.db2.gz DUDAQOFQUFNIJU-INIZCTEOSA-N 2 2 296.418 3.233 10 0 CGAELP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1cnccn1 ZINC000151686316 371626196 /nfs/dbraw/zinc/62/61/96/371626196.db2.gz LDVQPIPMDXEGEK-UONOGXRCSA-N 2 2 293.374 3.074 10 0 CGAELP Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000153228451 371757593 /nfs/dbraw/zinc/75/75/93/371757593.db2.gz OAPRDBZOGSRTKH-YQQAZPJKSA-N 2 2 260.425 3.374 10 0 CGAELP Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000153228451 371757599 /nfs/dbraw/zinc/75/75/99/371757599.db2.gz OAPRDBZOGSRTKH-YQQAZPJKSA-N 2 2 260.425 3.374 10 0 CGAELP CC(C)[C@H]([NH3+])CCN(C)c1[nH+]ccc2ccccc21 ZINC000168740771 372616992 /nfs/dbraw/zinc/61/69/92/372616992.db2.gz UGVQDOSFOCLTAY-OAHLLOKOSA-N 2 2 257.381 3.044 10 0 CGAELP COCCC[C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000178125335 373747233 /nfs/dbraw/zinc/74/72/33/373747233.db2.gz TUYYFBBNEFUEEY-LSDHHAIUSA-N 2 2 287.407 3.338 10 0 CGAELP COc1c(C)cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1C ZINC000188402982 375210941 /nfs/dbraw/zinc/21/09/41/375210941.db2.gz CPLMWAUZODYQLP-KRWDZBQOSA-N 2 2 299.418 3.173 10 0 CGAELP COc1c(C)cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1C ZINC000188402982 375210949 /nfs/dbraw/zinc/21/09/49/375210949.db2.gz CPLMWAUZODYQLP-KRWDZBQOSA-N 2 2 299.418 3.173 10 0 CGAELP CC(C)C(C)(C)C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000188710423 375257529 /nfs/dbraw/zinc/25/75/29/375257529.db2.gz FLHLLWLTNLDHKA-UHFFFAOYSA-N 2 2 289.467 3.318 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC000246393808 377021365 /nfs/dbraw/zinc/02/13/65/377021365.db2.gz PWZKBWJTQGKJMV-CABCVRRESA-N 2 2 284.407 3.239 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)c2ccccn2)C1 ZINC000246393808 377021370 /nfs/dbraw/zinc/02/13/70/377021370.db2.gz PWZKBWJTQGKJMV-CABCVRRESA-N 2 2 284.407 3.239 10 0 CGAELP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000247030125 377141966 /nfs/dbraw/zinc/14/19/66/377141966.db2.gz MEVXTBMZYWQADT-VYDXJSESSA-N 2 2 260.425 3.374 10 0 CGAELP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000247030125 377141972 /nfs/dbraw/zinc/14/19/72/377141972.db2.gz MEVXTBMZYWQADT-VYDXJSESSA-N 2 2 260.425 3.374 10 0 CGAELP C[C@@H]1CC[N@H+](CCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000247130334 377164984 /nfs/dbraw/zinc/16/49/84/377164984.db2.gz NQSQWEMSXOQIMK-NVXWUHKLSA-N 2 2 269.392 3.009 10 0 CGAELP C[C@@H]1CC[N@@H+](CCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000247130334 377164991 /nfs/dbraw/zinc/16/49/91/377164991.db2.gz NQSQWEMSXOQIMK-NVXWUHKLSA-N 2 2 269.392 3.009 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000248886289 542337744 /nfs/dbraw/zinc/33/77/44/542337744.db2.gz MHWQGPODWNCENU-PBHICJAKSA-N 2 2 273.424 3.007 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000248886289 542337747 /nfs/dbraw/zinc/33/77/47/542337747.db2.gz MHWQGPODWNCENU-PBHICJAKSA-N 2 2 273.424 3.007 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCSc3c(F)cccc32)C1 ZINC000389500866 542608742 /nfs/dbraw/zinc/60/87/42/542608742.db2.gz BZAAIPIKZYPCST-BXUZGUMPSA-N 2 2 280.412 3.046 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCSc3c(F)cccc32)C1 ZINC000389500866 542608743 /nfs/dbraw/zinc/60/87/43/542608743.db2.gz BZAAIPIKZYPCST-BXUZGUMPSA-N 2 2 280.412 3.046 10 0 CGAELP Cc1cc[nH+]cc1N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000071413618 392191912 /nfs/dbraw/zinc/19/19/12/392191912.db2.gz MLLLWXVHRHXWKX-KRWDZBQOSA-N 2 2 281.403 3.467 10 0 CGAELP CC[C@@H]1C[C@@H]([NH2+][C@@H](C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000390763039 397692321 /nfs/dbraw/zinc/69/23/21/397692321.db2.gz CBYCSFHEXWYYMN-RYQLBKOJSA-N 2 2 290.451 3.054 10 0 CGAELP CC[C@@H]1C[C@@H]([NH2+][C@@H](C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000390763039 397692324 /nfs/dbraw/zinc/69/23/24/397692324.db2.gz CBYCSFHEXWYYMN-RYQLBKOJSA-N 2 2 290.451 3.054 10 0 CGAELP CCCOc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000675789015 543364859 /nfs/dbraw/zinc/36/48/59/543364859.db2.gz QJDGNYBBXUTTNN-ZQIUZPCESA-N 2 2 276.424 3.076 10 0 CGAELP CCCOc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000675789015 543364860 /nfs/dbraw/zinc/36/48/60/543364860.db2.gz QJDGNYBBXUTTNN-ZQIUZPCESA-N 2 2 276.424 3.076 10 0 CGAELP [NH3+]C[C@@H](c1ccccc1F)[NH+]1CCCCCCC1 ZINC000020265390 171122930 /nfs/dbraw/zinc/12/29/30/171122930.db2.gz UYGZYTYBFOMHSS-HNNXBMFYSA-N 2 2 250.361 3.092 10 0 CGAELP CC1CC[NH+]([C@@]2(C[NH3+])C[C@H](C)CC(C)(C)C2)CC1 ZINC000021513797 171311210 /nfs/dbraw/zinc/31/12/10/171311210.db2.gz BQOZWJBHZMJZLL-ZBFHGGJFSA-N 2 2 252.446 3.262 10 0 CGAELP C[C@@H]1CC(C)(C)C[C@](C[NH3+])([NH+]2CCCCCC2)C1 ZINC000021517736 171314137 /nfs/dbraw/zinc/31/41/37/171314137.db2.gz IAHWNDIHHORADU-GDBMZVCRSA-N 2 2 252.446 3.406 10 0 CGAELP C[C@@H]1CCCC[N@@H+]1[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000022148963 171357743 /nfs/dbraw/zinc/35/77/43/171357743.db2.gz XLGPWVPGKUKMGL-CBBWQLFWSA-N 2 2 252.446 3.403 10 0 CGAELP C[C@@H]1CCCC[N@H+]1[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000022148963 171357744 /nfs/dbraw/zinc/35/77/44/171357744.db2.gz XLGPWVPGKUKMGL-CBBWQLFWSA-N 2 2 252.446 3.403 10 0 CGAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000022174980 171369671 /nfs/dbraw/zinc/36/96/71/171369671.db2.gz QIEJOZBKBFXDHG-JTQLQIEISA-N 2 2 289.217 3.164 10 0 CGAELP [NH3+]C[C@H](c1ccc(-c2ccccc2)cc1)[NH+]1CCCC1 ZINC000022178400 171371513 /nfs/dbraw/zinc/37/15/13/171371513.db2.gz HEBOYMFCKIRWAL-GOSISDBHSA-N 2 2 266.388 3.449 10 0 CGAELP CCCn1c2ccc(C)cc2[nH+]c1C1CC[NH2+]CC1 ZINC000037438348 173209046 /nfs/dbraw/zinc/20/90/46/173209046.db2.gz TYCRDEIGYWOVIM-UHFFFAOYSA-N 2 2 257.381 3.222 10 0 CGAELP C[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C12CC3CC(CC(C3)C1)C2 ZINC000038088581 174101404 /nfs/dbraw/zinc/10/14/04/174101404.db2.gz PUYJKZTYABVMQZ-XOMSLVIASA-N 2 2 264.457 3.131 10 0 CGAELP CCC[N@H+]([C@@H](C)c1cccc(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000071314758 176121256 /nfs/dbraw/zinc/12/12/56/176121256.db2.gz DCQRAZIYBYQVMR-SWLSCSKDSA-N 2 2 266.816 3.475 10 0 CGAELP CCC[N@@H+]([C@@H](C)c1cccc(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000071314758 176121258 /nfs/dbraw/zinc/12/12/58/176121258.db2.gz DCQRAZIYBYQVMR-SWLSCSKDSA-N 2 2 266.816 3.475 10 0 CGAELP COc1ccc(C(C)C)cc1[C@@H](C[NH3+])[N@H+](C)C(C)C ZINC000076369748 177006623 /nfs/dbraw/zinc/00/66/23/177006623.db2.gz WSJWLKOJCWUXSO-OAHLLOKOSA-N 2 2 264.413 3.159 10 0 CGAELP COc1ccc(C(C)C)cc1[C@@H](C[NH3+])[N@@H+](C)C(C)C ZINC000076369748 177006624 /nfs/dbraw/zinc/00/66/24/177006624.db2.gz WSJWLKOJCWUXSO-OAHLLOKOSA-N 2 2 264.413 3.159 10 0 CGAELP CC1(C)CC[C@]2(CCC[N@H+](Cc3ccccc3)C2)[NH2+]1 ZINC000076697633 177061162 /nfs/dbraw/zinc/06/11/62/177061162.db2.gz YGGYPJDHPPWODR-KRWDZBQOSA-N 2 2 258.409 3.183 10 0 CGAELP CC1(C)CC[C@]2(CCC[N@@H+](Cc3ccccc3)C2)[NH2+]1 ZINC000076697633 177061163 /nfs/dbraw/zinc/06/11/63/177061163.db2.gz YGGYPJDHPPWODR-KRWDZBQOSA-N 2 2 258.409 3.183 10 0 CGAELP C[NH+](C)C[C@@H]([NH2+][C@H]1CCCSCC1)c1ccccc1 ZINC000657826800 419374667 /nfs/dbraw/zinc/37/46/67/419374667.db2.gz KWRCCJFFEZPVBZ-JKSUJKDBSA-N 2 2 278.465 3.165 10 0 CGAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1ccccc1OC(F)F ZINC000396581096 288014382 /nfs/dbraw/zinc/01/43/82/288014382.db2.gz PGUIDROWRALLTP-LOWVWBTDSA-N 2 2 284.350 3.079 10 0 CGAELP CC(C)[C@H](C[NH2+]C1CC1)[N@H+](Cc1ccsc1)C1CC1 ZINC000052541900 519815906 /nfs/dbraw/zinc/81/59/06/519815906.db2.gz KMQWPCASUKUSRL-INIZCTEOSA-N 2 2 278.465 3.489 10 0 CGAELP CC(C)[C@H](C[NH2+]C1CC1)[N@@H+](Cc1ccsc1)C1CC1 ZINC000052541900 519815907 /nfs/dbraw/zinc/81/59/07/519815907.db2.gz KMQWPCASUKUSRL-INIZCTEOSA-N 2 2 278.465 3.489 10 0 CGAELP CCCC1CC[NH+]([C@@H](C[NH3+])c2cccs2)CC1 ZINC000050892996 519902514 /nfs/dbraw/zinc/90/25/14/519902514.db2.gz HFRACOFFCFWOAX-ZDUSSCGKSA-N 2 2 252.427 3.260 10 0 CGAELP CC[NH2+]C[C@@H](C)C[N@H+](C)Cc1ccccc1Br ZINC000052541199 519942981 /nfs/dbraw/zinc/94/29/81/519942981.db2.gz MQCYQOZLJUJJBU-GFCCVEGCSA-N 2 2 299.256 3.127 10 0 CGAELP CC[NH2+]C[C@@H](C)C[N@@H+](C)Cc1ccccc1Br ZINC000052541199 519942987 /nfs/dbraw/zinc/94/29/87/519942987.db2.gz MQCYQOZLJUJJBU-GFCCVEGCSA-N 2 2 299.256 3.127 10 0 CGAELP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccc(F)c(Cl)c1 ZINC000358384375 533991907 /nfs/dbraw/zinc/99/19/07/533991907.db2.gz QEMFZLCWPUQAML-ISTVAULSSA-N 2 2 270.779 3.080 10 0 CGAELP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccc(F)c(Cl)c1 ZINC000358384375 533991919 /nfs/dbraw/zinc/99/19/19/533991919.db2.gz QEMFZLCWPUQAML-ISTVAULSSA-N 2 2 270.779 3.080 10 0 CGAELP CCCC1CC[NH+]([C@]2(C[NH3+])CCC[C@@H](C)C2)CC1 ZINC000050893303 519903509 /nfs/dbraw/zinc/90/35/09/519903509.db2.gz CIVUOKMTVOZGDE-GDBMZVCRSA-N 2 2 252.446 3.406 10 0 CGAELP CC[N@H+](Cc1cccs1)C[C@@](C)([NH3+])c1ccccc1 ZINC000052883479 521408518 /nfs/dbraw/zinc/40/85/18/521408518.db2.gz TUDPEBDOMSCMFI-MRXNPFEDSA-N 2 2 274.433 3.444 10 0 CGAELP CC[N@@H+](Cc1cccs1)C[C@@](C)([NH3+])c1ccccc1 ZINC000052883479 521408523 /nfs/dbraw/zinc/40/85/23/521408523.db2.gz TUDPEBDOMSCMFI-MRXNPFEDSA-N 2 2 274.433 3.444 10 0 CGAELP C[NH2+][C@H]1CCCCCC[C@@H]1[NH+]1CCC(C)(C)CC1 ZINC000061819524 522490719 /nfs/dbraw/zinc/49/07/19/522490719.db2.gz DVLNRGQRTULJMM-GJZGRUSLSA-N 2 2 252.446 3.419 10 0 CGAELP CCc1[nH+]c2ccccc2n1[C@H](C[NH3+])c1cccs1 ZINC000062807260 522507382 /nfs/dbraw/zinc/50/73/82/522507382.db2.gz WPBDCDMCOALEDD-CYBMUJFWSA-N 2 2 271.389 3.208 10 0 CGAELP C[N@H+](CC(C)(C)C)[C@H](C[NH2+]C1CC1)c1ccccc1 ZINC000052570222 522546937 /nfs/dbraw/zinc/54/69/37/522546937.db2.gz DFDFHSFBLVAXES-MRXNPFEDSA-N 2 2 260.425 3.458 10 0 CGAELP C[N@@H+](CC(C)(C)C)[C@H](C[NH2+]C1CC1)c1ccccc1 ZINC000052570222 522546949 /nfs/dbraw/zinc/54/69/49/522546949.db2.gz DFDFHSFBLVAXES-MRXNPFEDSA-N 2 2 260.425 3.458 10 0 CGAELP CCCCCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000157742206 639994209 /nfs/dbraw/zinc/99/42/09/639994209.db2.gz YIKMBDJKZUKGHB-OAHLLOKOSA-N 2 2 261.413 3.396 10 0 CGAELP CCCCCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000157742206 639994217 /nfs/dbraw/zinc/99/42/17/639994217.db2.gz YIKMBDJKZUKGHB-OAHLLOKOSA-N 2 2 261.413 3.396 10 0 CGAELP C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000188405015 542248036 /nfs/dbraw/zinc/24/80/36/542248036.db2.gz GEMQZIMKUWJHRJ-OWCLPIDISA-N 2 2 261.413 3.174 10 0 CGAELP C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000188405015 542248037 /nfs/dbraw/zinc/24/80/37/542248037.db2.gz GEMQZIMKUWJHRJ-OWCLPIDISA-N 2 2 261.413 3.174 10 0 CGAELP COCc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000180125284 189238347 /nfs/dbraw/zinc/23/83/47/189238347.db2.gz FWXSVEIKBUMJKE-SFHVURJKSA-N 2 2 299.418 3.003 10 0 CGAELP COCc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000180125284 189238348 /nfs/dbraw/zinc/23/83/48/189238348.db2.gz FWXSVEIKBUMJKE-SFHVURJKSA-N 2 2 299.418 3.003 10 0 CGAELP CCn1c2cc(Cl)ccc2[nH+]c1CCCCC[NH3+] ZINC000053994589 369491105 /nfs/dbraw/zinc/49/11/05/369491105.db2.gz GDPHRMNILBPUAE-UHFFFAOYSA-N 2 2 265.788 3.381 10 0 CGAELP c1ccc(CCC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171643604 372799674 /nfs/dbraw/zinc/79/96/74/372799674.db2.gz JODNPVFHWSBWFW-GOSISDBHSA-N 2 2 295.430 3.448 10 0 CGAELP c1ccc(CCC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171643604 372799681 /nfs/dbraw/zinc/79/96/81/372799681.db2.gz JODNPVFHWSBWFW-GOSISDBHSA-N 2 2 295.430 3.448 10 0 CGAELP CC(C)c1cnc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)s1 ZINC000185223460 374614823 /nfs/dbraw/zinc/61/48/23/374614823.db2.gz ROIHTHKBHUUXJD-CYBMUJFWSA-N 2 2 290.436 3.128 10 0 CGAELP CC(C)c1cnc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)s1 ZINC000185223460 374614830 /nfs/dbraw/zinc/61/48/30/374614830.db2.gz ROIHTHKBHUUXJD-CYBMUJFWSA-N 2 2 290.436 3.128 10 0 CGAELP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]4CCC[C@H]43)cn2)c[nH+]1 ZINC000246411440 377026173 /nfs/dbraw/zinc/02/61/73/377026173.db2.gz RJIYZGSTQKJOTD-HZPDHXFCSA-N 2 2 282.391 3.032 10 0 CGAELP c1cn(-c2ccc(C[N@H+]3CCC[C@H]4CCC[C@H]43)cn2)c[nH+]1 ZINC000246411440 377026177 /nfs/dbraw/zinc/02/61/77/377026177.db2.gz RJIYZGSTQKJOTD-HZPDHXFCSA-N 2 2 282.391 3.032 10 0 CGAELP 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CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000389312145 379896625 /nfs/dbraw/zinc/89/66/25/379896625.db2.gz FDFABOVJANJOBS-DGCLKSJQSA-N 2 2 284.350 3.033 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000389312145 379896629 /nfs/dbraw/zinc/89/66/29/379896629.db2.gz FDFABOVJANJOBS-DGCLKSJQSA-N 2 2 284.350 3.033 10 0 CGAELP Clc1ccsc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000194482428 542276832 /nfs/dbraw/zinc/27/68/32/542276832.db2.gz DYUQGSLUKAPIFY-NSHDSACASA-N 2 2 281.812 3.263 10 0 CGAELP C[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000249463557 542339950 /nfs/dbraw/zinc/33/99/50/542339950.db2.gz GEMQZIMKUWJHRJ-OAGGEKHMSA-N 2 2 261.413 3.174 10 0 CGAELP C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000249463557 542339952 /nfs/dbraw/zinc/33/99/52/542339952.db2.gz GEMQZIMKUWJHRJ-OAGGEKHMSA-N 2 2 261.413 3.174 10 0 CGAELP C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000249462582 542339968 /nfs/dbraw/zinc/33/99/68/542339968.db2.gz FUUZTIDQHWSCNC-AEFFLSMTSA-N 2 2 283.419 3.226 10 0 CGAELP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000249462582 542339972 /nfs/dbraw/zinc/33/99/72/542339972.db2.gz FUUZTIDQHWSCNC-AEFFLSMTSA-N 2 2 283.419 3.226 10 0 CGAELP C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C[NH+](C)C)c1ccccc1 ZINC000021802299 296357412 /nfs/dbraw/zinc/35/74/12/296357412.db2.gz DAUSYHNBGKSOOU-OIISXLGYSA-N 2 2 260.425 3.458 10 0 CGAELP CC[C@@H]([NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000390743180 262250284 /nfs/dbraw/zinc/25/02/84/262250284.db2.gz NMPALEXQSYLGNU-WMLDXEAASA-N 2 2 260.425 3.285 10 0 CGAELP CC[C@@H]([NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000390743180 262250285 /nfs/dbraw/zinc/25/02/85/262250285.db2.gz NMPALEXQSYLGNU-WMLDXEAASA-N 2 2 260.425 3.285 10 0 CGAELP CC(C)C[N@H+](C)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000020226525 171090821 /nfs/dbraw/zinc/09/08/21/171090821.db2.gz IJGQDCJFVQUFOK-CYBMUJFWSA-N 2 2 285.229 3.037 10 0 CGAELP CC(C)C[N@@H+](C)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000020226525 171090823 /nfs/dbraw/zinc/09/08/23/171090823.db2.gz IJGQDCJFVQUFOK-CYBMUJFWSA-N 2 2 285.229 3.037 10 0 CGAELP CC1CC[NH+]([C@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])CC1 ZINC000021805093 171327041 /nfs/dbraw/zinc/32/70/41/171327041.db2.gz ANKYCEOCRDQYOH-KKUMJFAQSA-N 2 2 252.446 3.260 10 0 CGAELP C[C@H]1C[C@@H]1c1ccc([C@@H](C[NH3+])[NH+]2CCC(C)CC2)o1 ZINC000022165003 171365161 /nfs/dbraw/zinc/36/51/61/171365161.db2.gz CBIIWVVLWZZLAO-MELADBBJSA-N 2 2 262.397 3.135 10 0 CGAELP C[N@H+]([C@H](C[NH3+])c1ccc(F)c(F)c1)C1CCCCC1 ZINC000022170517 171367684 /nfs/dbraw/zinc/36/76/84/171367684.db2.gz KKDXQZXOJWRPEW-OAHLLOKOSA-N 2 2 268.351 3.229 10 0 CGAELP C[N@@H+]([C@H](C[NH3+])c1ccc(F)c(F)c1)C1CCCCC1 ZINC000022170517 171367686 /nfs/dbraw/zinc/36/76/86/171367686.db2.gz KKDXQZXOJWRPEW-OAHLLOKOSA-N 2 2 268.351 3.229 10 0 CGAELP Cc1ccsc1[C@H](C[NH3+])[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022170335 171367820 /nfs/dbraw/zinc/36/78/20/171367820.db2.gz HIDAEQAKGHEAGL-LOWVWBTDSA-N 2 2 252.427 3.034 10 0 CGAELP Cc1ccsc1[C@H](C[NH3+])[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022170335 171367821 /nfs/dbraw/zinc/36/78/21/171367821.db2.gz HIDAEQAKGHEAGL-LOWVWBTDSA-N 2 2 252.427 3.034 10 0 CGAELP C[N@H+]([C@H](C[NH3+])c1ccc(F)cc1F)C1CCCCC1 ZINC000022215775 171375309 /nfs/dbraw/zinc/37/53/09/171375309.db2.gz SJNZXWPXOAOSKJ-OAHLLOKOSA-N 2 2 268.351 3.229 10 0 CGAELP C[N@@H+]([C@H](C[NH3+])c1ccc(F)cc1F)C1CCCCC1 ZINC000022215775 171375310 /nfs/dbraw/zinc/37/53/10/171375310.db2.gz SJNZXWPXOAOSKJ-OAHLLOKOSA-N 2 2 268.351 3.229 10 0 CGAELP CCC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1c(F)cccc1Cl ZINC000035586655 172285735 /nfs/dbraw/zinc/28/57/35/172285735.db2.gz NPQDLEAZCFWKAG-LBPRGKRZSA-N 2 2 281.762 3.486 10 0 CGAELP Cc1ncsc1[C@H](C)[NH2+][C@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000037314082 173115558 /nfs/dbraw/zinc/11/55/58/173115558.db2.gz MXBXDQMXOZXDEA-AVGNSLFASA-N 2 2 276.409 3.092 10 0 CGAELP CCCCc1ccc([C@H]([C@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000071587063 176214378 /nfs/dbraw/zinc/21/43/78/176214378.db2.gz JEJACVKSCLGVRO-IAGOWNOFSA-N 2 2 260.425 3.384 10 0 CGAELP Cc1ccc(CCc2[nH]c3cc(C[NH3+])ccc3[nH+]2)cc1 ZINC000071597907 176221747 /nfs/dbraw/zinc/22/17/47/176221747.db2.gz PHEFANSPRXUNNR-UHFFFAOYSA-N 2 2 265.360 3.115 10 0 CGAELP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000396526789 288013732 /nfs/dbraw/zinc/01/37/32/288013732.db2.gz FMWHOJVUDVWFTN-JJRVBVJISA-N 2 2 276.424 3.265 10 0 CGAELP CSc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000396714396 288015687 /nfs/dbraw/zinc/01/56/87/288015687.db2.gz QSDAXUNBZJHBJM-HUBLWGQQSA-N 2 2 264.438 3.200 10 0 CGAELP CC(C)C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000226316217 279001917 /nfs/dbraw/zinc/00/19/17/279001917.db2.gz SIHPAZMZVTYLEI-DLBZAZTESA-N 2 2 260.425 3.458 10 0 CGAELP CC(C)C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000226316217 279001919 /nfs/dbraw/zinc/00/19/19/279001919.db2.gz SIHPAZMZVTYLEI-DLBZAZTESA-N 2 2 260.425 3.458 10 0 CGAELP CC(C)[C@@H](C[NH2+]C1CC1)[N@H+](C)C1CCCCCC1 ZINC000052481964 519794773 /nfs/dbraw/zinc/79/47/73/519794773.db2.gz IGLPVQLGXHWTIH-MRXNPFEDSA-N 2 2 252.446 3.418 10 0 CGAELP CC(C)[C@@H](C[NH2+]C1CC1)[N@@H+](C)C1CCCCCC1 ZINC000052481964 519794774 /nfs/dbraw/zinc/79/47/74/519794774.db2.gz IGLPVQLGXHWTIH-MRXNPFEDSA-N 2 2 252.446 3.418 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+]C2CCC(C(C)C)CC2)C1 ZINC000054556256 521648981 /nfs/dbraw/zinc/64/89/81/521648981.db2.gz HHNWQDNQRRCTKY-GPANFISMSA-N 2 2 252.446 3.275 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+]C2CCC(C(C)C)CC2)C1 ZINC000054556256 521648985 /nfs/dbraw/zinc/64/89/85/521648985.db2.gz HHNWQDNQRRCTKY-GPANFISMSA-N 2 2 252.446 3.275 10 0 CGAELP CCC[NH+](CCC)[C@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596481 521650019 /nfs/dbraw/zinc/65/00/19/521650019.db2.gz VLEICMDLLNTHLX-OAHLLOKOSA-N 2 2 264.413 3.125 10 0 CGAELP CC[C@H]([NH3+])[C@H](c1ccco1)[NH+]1CCC(C)(C)CC1 ZINC000061818427 522344305 /nfs/dbraw/zinc/34/43/05/522344305.db2.gz FLOLFGYCEAESSG-GXTWGEPZSA-N 2 2 250.386 3.180 10 0 CGAELP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000156654707 522755604 /nfs/dbraw/zinc/75/56/04/522755604.db2.gz RXWCCWRGHXWECA-SZMVWBNQSA-N 2 2 289.467 3.316 10 0 CGAELP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000156654707 522755612 /nfs/dbraw/zinc/75/56/12/522755612.db2.gz RXWCCWRGHXWECA-SZMVWBNQSA-N 2 2 289.467 3.316 10 0 CGAELP C[N@H+](Cc1cccs1)[C@@H](C[NH3+])CCc1ccccc1 ZINC000061624619 523448430 /nfs/dbraw/zinc/44/84/30/523448430.db2.gz FEILYVRMCCPPOR-OAHLLOKOSA-N 2 2 274.433 3.140 10 0 CGAELP C[N@@H+](Cc1cccs1)[C@@H](C[NH3+])CCc1ccccc1 ZINC000061624619 523448440 /nfs/dbraw/zinc/44/84/40/523448440.db2.gz FEILYVRMCCPPOR-OAHLLOKOSA-N 2 2 274.433 3.140 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H](C)Cc1ccccc1F ZINC000157207547 528501921 /nfs/dbraw/zinc/50/19/21/528501921.db2.gz AWXSLMRGFMSJKB-GOEBONIOSA-N 2 2 280.431 3.323 10 0 CGAELP C[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000188405060 542247809 /nfs/dbraw/zinc/24/78/09/542247809.db2.gz GEMQZIMKUWJHRJ-BZUAXINKSA-N 2 2 261.413 3.174 10 0 CGAELP C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000188405060 542247814 /nfs/dbraw/zinc/24/78/14/542247814.db2.gz GEMQZIMKUWJHRJ-BZUAXINKSA-N 2 2 261.413 3.174 10 0 CGAELP CCc1[nH+]c2ccccc2n1CC[NH2+]C1CCCC1 ZINC000062136873 345237021 /nfs/dbraw/zinc/23/70/21/345237021.db2.gz YGYOARDLMNXLGV-UHFFFAOYSA-N 2 2 257.381 3.131 10 0 CGAELP Cc1cc2ccccc2[nH+]c1N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000226955767 346307755 /nfs/dbraw/zinc/30/77/55/346307755.db2.gz XRQOOUSITCQBDA-DZGCQCFKSA-N 2 2 269.392 3.107 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000122950361 187061912 /nfs/dbraw/zinc/06/19/12/187061912.db2.gz SRUOCNNUFIONQW-CQSZACIVSA-N 2 2 275.421 3.344 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000122950361 187061913 /nfs/dbraw/zinc/06/19/13/187061913.db2.gz SRUOCNNUFIONQW-CQSZACIVSA-N 2 2 275.421 3.344 10 0 CGAELP Cc1cc(NCc2ccc3c(c2)C[NH2+]C3)nc(C(C)C)[nH+]1 ZINC000097829645 138349159 /nfs/dbraw/zinc/34/91/59/138349159.db2.gz BGDGEXFJUMJTSL-UHFFFAOYSA-N 2 2 282.391 3.124 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCc1ccccc1 ZINC000178284920 189102660 /nfs/dbraw/zinc/10/26/60/189102660.db2.gz PSZSYMIIFANQJU-GOSISDBHSA-N 2 2 283.419 3.289 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCc1ccccc1 ZINC000178284920 189102661 /nfs/dbraw/zinc/10/26/61/189102661.db2.gz PSZSYMIIFANQJU-GOSISDBHSA-N 2 2 283.419 3.289 10 0 CGAELP CCSCC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180649952 189267967 /nfs/dbraw/zinc/26/79/67/189267967.db2.gz YLQWRPYGZUNXGL-CYBMUJFWSA-N 2 2 275.421 3.276 10 0 CGAELP CCCOc1ccc([C@@H](C[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000022854207 368813065 /nfs/dbraw/zinc/81/30/65/368813065.db2.gz IQRFLFUHRXUWGZ-RVKKMQEKSA-N 2 2 290.451 3.453 10 0 CGAELP CCCOc1ccc([C@@H](C[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000022854207 368813067 /nfs/dbraw/zinc/81/30/67/368813067.db2.gz IQRFLFUHRXUWGZ-RVKKMQEKSA-N 2 2 290.451 3.453 10 0 CGAELP c1cn(CC[NH2+]C2c3ccccc3Oc3ccccc32)c[nH+]1 ZINC000028233246 368883253 /nfs/dbraw/zinc/88/32/53/368883253.db2.gz ZWJYERNBMIDSAM-UHFFFAOYSA-N 2 2 291.354 3.368 10 0 CGAELP CSc1ccc([C@H](C[NH3+])[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000034938073 368980473 /nfs/dbraw/zinc/98/04/73/368980473.db2.gz QGKPXONURACXJE-WFASDCNBSA-N 2 2 264.438 3.283 10 0 CGAELP CSc1ccc([C@H](C[NH3+])[N@H+]2CCCC[C@@H]2C)cc1 ZINC000034938073 368980475 /nfs/dbraw/zinc/98/04/75/368980475.db2.gz QGKPXONURACXJE-WFASDCNBSA-N 2 2 264.438 3.283 10 0 CGAELP CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+](CC)C2)cc1 ZINC000040502267 369158330 /nfs/dbraw/zinc/15/83/30/369158330.db2.gz NEFSDIGSKIUTMC-HOCLYGCPSA-N 2 2 276.424 3.220 10 0 CGAELP CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](CC)C2)cc1 ZINC000040502267 369158331 /nfs/dbraw/zinc/15/83/31/369158331.db2.gz NEFSDIGSKIUTMC-HOCLYGCPSA-N 2 2 276.424 3.220 10 0 CGAELP Cc1ccc(-c2nc(NC3CC[NH2+]CC3)c(C)c(C)[nH+]2)cc1 ZINC000070451694 369799762 /nfs/dbraw/zinc/79/97/62/369799762.db2.gz VRJQRARYJGHJTA-UHFFFAOYSA-N 2 2 296.418 3.233 10 0 CGAELP C[C@@H]([NH2+][C@@H](C[NH+](C)C)c1ccccc1)C1CCSCC1 ZINC000186952267 296153189 /nfs/dbraw/zinc/15/31/89/296153189.db2.gz JYCXDQWUHYKANZ-PBHICJAKSA-N 2 2 292.492 3.411 10 0 CGAELP c1nc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)co1 ZINC000289883092 371843829 /nfs/dbraw/zinc/84/38/29/371843829.db2.gz RYKSGUDUZIPSKD-QGZVFWFLSA-N 2 2 299.418 3.067 10 0 CGAELP c1nc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)co1 ZINC000289883092 371843834 /nfs/dbraw/zinc/84/38/34/371843834.db2.gz RYKSGUDUZIPSKD-QGZVFWFLSA-N 2 2 299.418 3.067 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC1CCCC1 ZINC000178318520 373766654 /nfs/dbraw/zinc/76/66/54/373766654.db2.gz PNUZIXXHCCBYOR-INIZCTEOSA-N 2 2 261.413 3.236 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC1CCCC1 ZINC000178318520 373766659 /nfs/dbraw/zinc/76/66/59/373766659.db2.gz PNUZIXXHCCBYOR-INIZCTEOSA-N 2 2 261.413 3.236 10 0 CGAELP Cc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(C)n1 ZINC000187065971 374966255 /nfs/dbraw/zinc/96/62/55/374966255.db2.gz ZZAOBRNHCAAHCR-INIZCTEOSA-N 2 2 296.418 3.027 10 0 CGAELP Cc1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(C)n1 ZINC000187065971 374966264 /nfs/dbraw/zinc/96/62/64/374966264.db2.gz ZZAOBRNHCAAHCR-INIZCTEOSA-N 2 2 296.418 3.027 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H](C)C1CCSCC1 ZINC000187158315 374980296 /nfs/dbraw/zinc/98/02/96/374980296.db2.gz XPEFCHIURMHOIH-DZGCQCFKSA-N 2 2 272.502 3.084 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000226901180 376375610 /nfs/dbraw/zinc/37/56/10/376375610.db2.gz QHZOKXFGHXUCNZ-DLBZAZTESA-N 2 2 258.409 3.212 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000226901180 376375620 /nfs/dbraw/zinc/37/56/20/376375620.db2.gz QHZOKXFGHXUCNZ-DLBZAZTESA-N 2 2 258.409 3.212 10 0 CGAELP C[C@H]1CC[N@H+](Cc2cccc(Cl)n2)C[C@H]1n1cc[nH+]c1 ZINC000245589128 376862295 /nfs/dbraw/zinc/86/22/95/376862295.db2.gz KIVQVCHGPCXXAU-GXTWGEPZSA-N 2 2 290.798 3.015 10 0 CGAELP C[C@H]1CC[N@@H+](Cc2cccc(Cl)n2)C[C@H]1n1cc[nH+]c1 ZINC000245589128 376862301 /nfs/dbraw/zinc/86/23/01/376862301.db2.gz KIVQVCHGPCXXAU-GXTWGEPZSA-N 2 2 290.798 3.015 10 0 CGAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000246928878 377120868 /nfs/dbraw/zinc/12/08/68/377120868.db2.gz GVEFDHUYYDRMCU-CSMYWGQOSA-N 2 2 276.399 3.131 10 0 CGAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000246928878 377120873 /nfs/dbraw/zinc/12/08/73/377120873.db2.gz GVEFDHUYYDRMCU-CSMYWGQOSA-N 2 2 276.399 3.131 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C)Sc3sccc32)C1 ZINC000389159903 379893235 /nfs/dbraw/zinc/89/32/35/379893235.db2.gz AGRVLMJSRLLONT-GVXVVHGQSA-N 2 2 282.478 3.357 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C)Sc3sccc32)C1 ZINC000389159903 379893245 /nfs/dbraw/zinc/89/32/45/379893245.db2.gz AGRVLMJSRLLONT-GVXVVHGQSA-N 2 2 282.478 3.357 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000389312146 379896904 /nfs/dbraw/zinc/89/69/04/379896904.db2.gz FDFABOVJANJOBS-WCQYABFASA-N 2 2 284.350 3.033 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000389312146 379896910 /nfs/dbraw/zinc/89/69/10/379896910.db2.gz FDFABOVJANJOBS-WCQYABFASA-N 2 2 284.350 3.033 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)c3ccccc32)C1 ZINC000389475483 379897790 /nfs/dbraw/zinc/89/77/90/379897790.db2.gz WBYSTZSBBUXULZ-JKIFEVAISA-N 2 2 258.409 3.309 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)c3ccccc32)C1 ZINC000389475483 379897799 /nfs/dbraw/zinc/89/77/99/379897799.db2.gz WBYSTZSBBUXULZ-JKIFEVAISA-N 2 2 258.409 3.309 10 0 CGAELP C[C@H]1CCC[N@@H+]1C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000301868798 392598990 /nfs/dbraw/zinc/59/89/90/392598990.db2.gz HZFJKQVHQPAPDU-ZDUSSCGKSA-N 2 2 284.407 3.016 10 0 CGAELP C[C@H]1CCC[N@H+]1C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000301868798 392598998 /nfs/dbraw/zinc/59/89/98/392598998.db2.gz HZFJKQVHQPAPDU-ZDUSSCGKSA-N 2 2 284.407 3.016 10 0 CGAELP CC[N@H+](CC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)C1CC1 ZINC000230652021 393023994 /nfs/dbraw/zinc/02/39/94/393023994.db2.gz DECQUDSIXZREPO-ZIAGYGMSSA-N 2 2 252.446 3.275 10 0 CGAELP CC[N@@H+](CC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)C1CC1 ZINC000230652021 393024001 /nfs/dbraw/zinc/02/40/01/393024001.db2.gz DECQUDSIXZREPO-ZIAGYGMSSA-N 2 2 252.446 3.275 10 0 CGAELP CC(C)[C@H](C)C[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000081046586 287069990 /nfs/dbraw/zinc/06/99/90/287069990.db2.gz YWXULKYAYQCTRA-AEFFLSMTSA-N 2 2 274.452 3.185 10 0 CGAELP CC(C)[C@H](C)C[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000081046586 287069992 /nfs/dbraw/zinc/06/99/92/287069992.db2.gz YWXULKYAYQCTRA-AEFFLSMTSA-N 2 2 274.452 3.185 10 0 CGAELP C[C@@H]([NH2+]Cc1ccncc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000020140545 171026985 /nfs/dbraw/zinc/02/69/85/171026985.db2.gz NWQHXJHSRUSDBR-CQSZACIVSA-N 2 2 278.359 3.118 10 0 CGAELP CCC(CC)[C@@H](C[NH3+])[N@H+](C)Cc1cccc(F)c1 ZINC000020266530 171123458 /nfs/dbraw/zinc/12/34/58/171123458.db2.gz SMHZDJXADMUFKT-OAHLLOKOSA-N 2 2 252.377 3.021 10 0 CGAELP CCC(CC)[C@@H](C[NH3+])[N@@H+](C)Cc1cccc(F)c1 ZINC000020266530 171123461 /nfs/dbraw/zinc/12/34/61/171123461.db2.gz SMHZDJXADMUFKT-OAHLLOKOSA-N 2 2 252.377 3.021 10 0 CGAELP CC(C)CCCCCC[NH2+][C@H]1C[NH+]2CCC1CC2 ZINC000020441891 171204945 /nfs/dbraw/zinc/20/49/45/171204945.db2.gz FSABTNWBVDWPIR-INIZCTEOSA-N 2 2 252.446 3.277 10 0 CGAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cccc(Cl)c1Cl ZINC000035504268 172237386 /nfs/dbraw/zinc/23/73/86/172237386.db2.gz VPMKEGQJUNCFBN-JTQLQIEISA-N 2 2 270.163 3.220 10 0 CGAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(C(C)C)cc1 ZINC000035570184 172265151 /nfs/dbraw/zinc/26/51/51/172265151.db2.gz RZVOVDQZVQTKBM-OAHLLOKOSA-N 2 2 257.381 3.426 10 0 CGAELP CCC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC000035586616 172285708 /nfs/dbraw/zinc/28/57/08/172285708.db2.gz ONJSMNFWJMNFEU-CYBMUJFWSA-N 2 2 263.772 3.347 10 0 CGAELP CCc1[nH]c2cc([C@@H]([NH3+])c3ccccc3)ccc2[nH+]1 ZINC000037400955 173178107 /nfs/dbraw/zinc/17/81/07/173178107.db2.gz RDVVPIMQYMEPQA-INIZCTEOSA-N 2 2 251.333 3.173 10 0 CGAELP CCc1[nH]c2cc([C@H]([NH3+])c3ccccc3)ccc2[nH+]1 ZINC000037400953 173178279 /nfs/dbraw/zinc/17/82/79/173178279.db2.gz RDVVPIMQYMEPQA-MRXNPFEDSA-N 2 2 251.333 3.173 10 0 CGAELP CCCOc1ccc([C@H](C[NH3+])[NH+]2CCC(C)CC2)cc1 ZINC000039789145 174173225 /nfs/dbraw/zinc/17/32/25/174173225.db2.gz LQGIJKOZLSFDNR-KRWDZBQOSA-N 2 2 276.424 3.207 10 0 CGAELP Cc1[nH+]c2cc(C(F)(F)F)ccc2n1CCC[NH+](C)C ZINC000040403977 174253778 /nfs/dbraw/zinc/25/37/78/174253778.db2.gz PVMQDYJZLZRFSC-UHFFFAOYSA-N 2 2 285.313 3.315 10 0 CGAELP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671195 270030023 /nfs/dbraw/zinc/03/00/23/270030023.db2.gz JIBQUXFKMLHJBF-QRQLOZEOSA-N 2 2 286.463 3.472 10 0 CGAELP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671195 270030024 /nfs/dbraw/zinc/03/00/24/270030024.db2.gz JIBQUXFKMLHJBF-QRQLOZEOSA-N 2 2 286.463 3.472 10 0 CGAELP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cc(Cl)ccc1Cl ZINC000336703067 275717983 /nfs/dbraw/zinc/71/79/83/275717983.db2.gz LNTXFZWOFGXOTG-ZDUSSCGKSA-N 2 2 275.223 3.456 10 0 CGAELP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1c1nccs1 ZINC000163215662 277077989 /nfs/dbraw/zinc/07/79/89/277077989.db2.gz OXTSGZZUCSTCFC-UONOGXRCSA-N 2 2 279.453 3.154 10 0 CGAELP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1c1nccs1 ZINC000163215662 277077990 /nfs/dbraw/zinc/07/79/90/277077990.db2.gz OXTSGZZUCSTCFC-UONOGXRCSA-N 2 2 279.453 3.154 10 0 CGAELP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000163215662 277077991 /nfs/dbraw/zinc/07/79/91/277077991.db2.gz OXTSGZZUCSTCFC-UONOGXRCSA-N 2 2 279.453 3.154 10 0 CGAELP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000163215662 277077992 /nfs/dbraw/zinc/07/79/92/277077992.db2.gz OXTSGZZUCSTCFC-UONOGXRCSA-N 2 2 279.453 3.154 10 0 CGAELP Cc1cccc(N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000301945830 281248376 /nfs/dbraw/zinc/24/83/76/281248376.db2.gz XHJWVWDTCCOVDK-WBVHZDCISA-N 2 2 281.403 3.465 10 0 CGAELP Cc1cccc(N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000301945830 281248379 /nfs/dbraw/zinc/24/83/79/281248379.db2.gz XHJWVWDTCCOVDK-WBVHZDCISA-N 2 2 281.403 3.465 10 0 CGAELP Cc1[nH+]cc(C[NH2+][C@H]2CCCCc3ccccc32)n1C ZINC000571298963 322295267 /nfs/dbraw/zinc/29/52/67/322295267.db2.gz IYOMYDGYJOGYOW-KRWDZBQOSA-N 2 2 269.392 3.286 10 0 CGAELP CC(C)[NH2+]C[C@H](C(C)C)[N@H+](Cc1ccco1)C1CC1 ZINC000052370780 519724407 /nfs/dbraw/zinc/72/44/07/519724407.db2.gz HFOVSPHNEVQUGV-MRXNPFEDSA-N 2 2 264.413 3.267 10 0 CGAELP CC(C)[NH2+]C[C@H](C(C)C)[N@@H+](Cc1ccco1)C1CC1 ZINC000052370780 519724409 /nfs/dbraw/zinc/72/44/09/519724409.db2.gz HFOVSPHNEVQUGV-MRXNPFEDSA-N 2 2 264.413 3.267 10 0 CGAELP CC[NH2+]C[C@@H](CC)[N@H+](C)Cc1cccc(Br)c1 ZINC000052545104 519944361 /nfs/dbraw/zinc/94/43/61/519944361.db2.gz OKFKNYZHOJQVGK-CQSZACIVSA-N 2 2 299.256 3.269 10 0 CGAELP CC[NH2+]C[C@@H](CC)[N@@H+](C)Cc1cccc(Br)c1 ZINC000052545104 519944370 /nfs/dbraw/zinc/94/43/70/519944370.db2.gz OKFKNYZHOJQVGK-CQSZACIVSA-N 2 2 299.256 3.269 10 0 CGAELP CCC[NH2+][C@H]1CC[N@@H+]([C@@H](CC)C2CCCCC2)C1 ZINC000052340447 520094116 /nfs/dbraw/zinc/09/41/16/520094116.db2.gz FBWJOBSYCUOEHU-HOTGVXAUSA-N 2 2 252.446 3.419 10 0 CGAELP CCC[NH2+][C@H]1CC[N@H+]([C@@H](CC)C2CCCCC2)C1 ZINC000052340447 520094123 /nfs/dbraw/zinc/09/41/23/520094123.db2.gz FBWJOBSYCUOEHU-HOTGVXAUSA-N 2 2 252.446 3.419 10 0 CGAELP CC[N@H+](Cc1cccs1)C[C@](C)([NH3+])c1ccccc1 ZINC000052883478 521406976 /nfs/dbraw/zinc/40/69/76/521406976.db2.gz TUDPEBDOMSCMFI-INIZCTEOSA-N 2 2 274.433 3.444 10 0 CGAELP CC[N@@H+](Cc1cccs1)C[C@](C)([NH3+])c1ccccc1 ZINC000052883478 521406981 /nfs/dbraw/zinc/40/69/81/521406981.db2.gz TUDPEBDOMSCMFI-INIZCTEOSA-N 2 2 274.433 3.444 10 0 CGAELP C[C@@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccccc2Cl)[C@@H]1C ZINC000050563490 524244297 /nfs/dbraw/zinc/24/42/97/524244297.db2.gz FBXDDZDWNWQFNW-JMSVASOKSA-N 2 2 266.816 3.460 10 0 CGAELP C[C@@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccccc2Cl)[C@@H]1C ZINC000050563490 524244303 /nfs/dbraw/zinc/24/43/03/524244303.db2.gz FBXDDZDWNWQFNW-JMSVASOKSA-N 2 2 266.816 3.460 10 0 CGAELP Cc1ccccc1C[N@@H+](C)[C@H](C[NH2+]C(C)C)C(C)C ZINC000052547003 525131130 /nfs/dbraw/zinc/13/11/30/525131130.db2.gz BQZKKGURFHPAFM-QGZVFWFLSA-N 2 2 262.441 3.449 10 0 CGAELP Cc1ccccc1C[N@H+](C)[C@H](C[NH2+]C(C)C)C(C)C ZINC000052547003 525131134 /nfs/dbraw/zinc/13/11/34/525131134.db2.gz BQZKKGURFHPAFM-QGZVFWFLSA-N 2 2 262.441 3.449 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCc2cccs2)C1 ZINC000106212392 636158821 /nfs/dbraw/zinc/15/88/21/636158821.db2.gz DFFPYLYMJDLBDG-CQSZACIVSA-N 2 2 289.448 3.387 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCc2cccs2)C1 ZINC000106212392 636158824 /nfs/dbraw/zinc/15/88/24/636158824.db2.gz DFFPYLYMJDLBDG-CQSZACIVSA-N 2 2 289.448 3.387 10 0 CGAELP Cc1ccc([C@H]2[C@H]([NH3+])CC[N@@H+]2Cc2ccccc2)cc1 ZINC000096947862 185137823 /nfs/dbraw/zinc/13/78/23/185137823.db2.gz BXJMGLNFVJVTDD-MSOLQXFVSA-N 2 2 266.388 3.269 10 0 CGAELP Cc1ccc([C@H]2[C@H]([NH3+])CC[N@H+]2Cc2ccccc2)cc1 ZINC000096947862 185137824 /nfs/dbraw/zinc/13/78/24/185137824.db2.gz BXJMGLNFVJVTDD-MSOLQXFVSA-N 2 2 266.388 3.269 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H](C)CCc1ccco1 ZINC000037167298 344948239 /nfs/dbraw/zinc/94/82/39/344948239.db2.gz RUCZBBPVHGUGBN-LSDHHAIUSA-N 2 2 266.429 3.167 10 0 CGAELP [NH3+]CC[N@@H+]1CCCCC[C@H]1c1cc2ccccc2cn1 ZINC000616624574 348849955 /nfs/dbraw/zinc/84/99/55/348849955.db2.gz BFOOISFFTXXFRH-KRWDZBQOSA-N 2 2 269.392 3.111 10 0 CGAELP [NH3+]CC[N@H+]1CCCCC[C@H]1c1cc2ccccc2cn1 ZINC000616624574 348849956 /nfs/dbraw/zinc/84/99/56/348849956.db2.gz BFOOISFFTXXFRH-KRWDZBQOSA-N 2 2 269.392 3.111 10 0 CGAELP Cc1cc[nH+]c(N[C@H]2CC[C@H](C[NH3+])CC2)c1Br ZINC000630556423 350853069 /nfs/dbraw/zinc/85/30/69/350853069.db2.gz GPNWMYBYUXNWKE-XYPYZODXSA-N 2 2 298.228 3.082 10 0 CGAELP C[C@H](c1ccc(Cl)cc1)[N@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634991805 351619463 /nfs/dbraw/zinc/61/94/63/351619463.db2.gz RPVPBODYWFLLCF-XIKARTHZSA-N 2 2 264.800 3.085 10 0 CGAELP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634991805 351619469 /nfs/dbraw/zinc/61/94/69/351619469.db2.gz RPVPBODYWFLLCF-XIKARTHZSA-N 2 2 264.800 3.085 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000040502700 369158458 /nfs/dbraw/zinc/15/84/58/369158458.db2.gz FDAHRBOHFUYNQC-SHARSMKWSA-N 2 2 276.399 3.146 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000040502700 369158459 /nfs/dbraw/zinc/15/84/59/369158459.db2.gz FDAHRBOHFUYNQC-SHARSMKWSA-N 2 2 276.399 3.146 10 0 CGAELP C[C@@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C[N@@H+]1C1CC1 ZINC000129571942 370992314 /nfs/dbraw/zinc/99/23/14/370992314.db2.gz WTTGSTYMCAQITF-HXSCFSKGSA-N 2 2 250.430 3.028 10 0 CGAELP C[C@@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C[N@H+]1C1CC1 ZINC000129571942 370992320 /nfs/dbraw/zinc/99/23/20/370992320.db2.gz WTTGSTYMCAQITF-HXSCFSKGSA-N 2 2 250.430 3.028 10 0 CGAELP c1cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cs1 ZINC000092812918 370103354 /nfs/dbraw/zinc/10/33/54/370103354.db2.gz SXYXDCASXZOJIE-CYBMUJFWSA-N 2 2 273.405 3.077 10 0 CGAELP c1cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cs1 ZINC000092812918 370103358 /nfs/dbraw/zinc/10/33/58/370103358.db2.gz SXYXDCASXZOJIE-CYBMUJFWSA-N 2 2 273.405 3.077 10 0 CGAELP c1cc([C@@H]2[N@H+](C3CC[NH2+]CC3)CC23CCCCC3)ccn1 ZINC000169676560 372629453 /nfs/dbraw/zinc/62/94/53/372629453.db2.gz MNDYBOCBOWVZGX-KRWDZBQOSA-N 2 2 285.435 3.141 10 0 CGAELP c1cc([C@@H]2[N@@H+](C3CC[NH2+]CC3)CC23CCCCC3)ccn1 ZINC000169676560 372629462 /nfs/dbraw/zinc/62/94/62/372629462.db2.gz MNDYBOCBOWVZGX-KRWDZBQOSA-N 2 2 285.435 3.141 10 0 CGAELP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000300403646 373625930 /nfs/dbraw/zinc/62/59/30/373625930.db2.gz ZZDCIMFZFLZAQV-QKPAOTATSA-N 2 2 252.446 3.131 10 0 CGAELP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000300403646 373625937 /nfs/dbraw/zinc/62/59/37/373625937.db2.gz ZZDCIMFZFLZAQV-QKPAOTATSA-N 2 2 252.446 3.131 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1C ZINC000178292562 373762376 /nfs/dbraw/zinc/76/23/76/373762376.db2.gz YLKOUKQDTNCGQO-SFHVURJKSA-N 2 2 283.419 3.473 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc(C)ccc1C ZINC000178292562 373762382 /nfs/dbraw/zinc/76/23/82/373762382.db2.gz YLKOUKQDTNCGQO-SFHVURJKSA-N 2 2 283.419 3.473 10 0 CGAELP Cc1cnc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)o1 ZINC000180670259 374033025 /nfs/dbraw/zinc/03/30/25/374033025.db2.gz YMAYHFLNLZGNAB-ZDUSSCGKSA-N 2 2 282.347 3.020 10 0 CGAELP C[C@H](CCCC[NH3+])Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000310931267 374229358 /nfs/dbraw/zinc/22/93/58/374229358.db2.gz FFKYFGXBVWJECU-SECBINFHSA-N 2 2 261.291 3.030 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCC23CCCC3)C1 ZINC000336890927 376020745 /nfs/dbraw/zinc/02/07/45/376020745.db2.gz HZJYTDDPPHXTDO-CABCVRRESA-N 2 2 250.430 3.173 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCC23CCCC3)C1 ZINC000336890927 376020752 /nfs/dbraw/zinc/02/07/52/376020752.db2.gz HZJYTDDPPHXTDO-CABCVRRESA-N 2 2 250.430 3.173 10 0 CGAELP CSc1ccc([C@@H](C[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000216078233 376157242 /nfs/dbraw/zinc/15/72/42/376157242.db2.gz BGQBYQOTZWLJKW-DVOMOZLQSA-N 2 2 278.465 3.386 10 0 CGAELP CSc1ccc([C@@H](C[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000216078233 376157250 /nfs/dbraw/zinc/15/72/50/376157250.db2.gz BGQBYQOTZWLJKW-DVOMOZLQSA-N 2 2 278.465 3.386 10 0 CGAELP Cc1cc(F)ccc1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247287487 377190701 /nfs/dbraw/zinc/19/07/01/377190701.db2.gz YYAWSFJISFZNHV-DYVFJYSZSA-N 2 2 287.382 3.414 10 0 CGAELP Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247287487 377190707 /nfs/dbraw/zinc/19/07/07/377190707.db2.gz YYAWSFJISFZNHV-DYVFJYSZSA-N 2 2 287.382 3.414 10 0 CGAELP CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C[N@H+](C)Cc2ccccc2)C1 ZINC000309892722 542427410 /nfs/dbraw/zinc/42/74/10/542427410.db2.gz MZVQVGSUHSDOLZ-CGTJXYLNSA-N 2 2 290.451 3.054 10 0 CGAELP CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000309892722 542427413 /nfs/dbraw/zinc/42/74/13/542427413.db2.gz MZVQVGSUHSDOLZ-CGTJXYLNSA-N 2 2 290.451 3.054 10 0 CGAELP CC[C@@H]1C[C@H]([NH2+][C@@H](C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000390763035 397692403 /nfs/dbraw/zinc/69/24/03/397692403.db2.gz CBYCSFHEXWYYMN-CGTJXYLNSA-N 2 2 290.451 3.054 10 0 CGAELP CC[C@@H]1C[C@H]([NH2+][C@@H](C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000390763035 397692406 /nfs/dbraw/zinc/69/24/06/397692406.db2.gz CBYCSFHEXWYYMN-CGTJXYLNSA-N 2 2 290.451 3.054 10 0 CGAELP C[N@H+](CC1CCCCC1)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000020225685 171088764 /nfs/dbraw/zinc/08/87/64/171088764.db2.gz PGVOVQCOYPHGQB-MRXNPFEDSA-N 2 2 264.388 3.338 10 0 CGAELP C[N@@H+](CC1CCCCC1)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000020225685 171088767 /nfs/dbraw/zinc/08/87/67/171088767.db2.gz PGVOVQCOYPHGQB-MRXNPFEDSA-N 2 2 264.388 3.338 10 0 CGAELP COc1cccc(C[N@H+](C)[C@H](C[NH3+])c2ccccc2C)c1 ZINC000020225451 171089050 /nfs/dbraw/zinc/08/90/50/171089050.db2.gz JUJIWAPOZPJCKN-GOSISDBHSA-N 2 2 284.403 3.135 10 0 CGAELP COc1cccc(C[N@@H+](C)[C@H](C[NH3+])c2ccccc2C)c1 ZINC000020225451 171089053 /nfs/dbraw/zinc/08/90/53/171089053.db2.gz JUJIWAPOZPJCKN-GOSISDBHSA-N 2 2 284.403 3.135 10 0 CGAELP CCCC[NH+](CCCC)[C@H](C[NH3+])c1ccc(C)o1 ZINC000020484752 171224112 /nfs/dbraw/zinc/22/41/12/171224112.db2.gz SNWIAMHJWUKRBM-CQSZACIVSA-N 2 2 252.402 3.490 10 0 CGAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1Cl ZINC000035503598 172237404 /nfs/dbraw/zinc/23/74/04/172237404.db2.gz UASHFCRNNYFMIJ-LLVKDONJSA-N 2 2 270.163 3.220 10 0 CGAELP CCCC(C[NH3+])(CCC)[N@H+](C)Cc1ccc(C)o1 ZINC000035699570 172368432 /nfs/dbraw/zinc/36/84/32/172368432.db2.gz AOECKAGABLZHQR-UHFFFAOYSA-N 2 2 252.402 3.318 10 0 CGAELP CCCC(C[NH3+])(CCC)[N@@H+](C)Cc1ccc(C)o1 ZINC000035699570 172368435 /nfs/dbraw/zinc/36/84/35/172368435.db2.gz AOECKAGABLZHQR-UHFFFAOYSA-N 2 2 252.402 3.318 10 0 CGAELP CC(C)=CC[NH+]1CCC([NH2+][C@H](C)c2ccco2)CC1 ZINC000037260428 173070632 /nfs/dbraw/zinc/07/06/32/173070632.db2.gz MHDFIZVQPJFKJT-CQSZACIVSA-N 2 2 262.397 3.361 10 0 CGAELP CC1(C)CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)[C@@H]21 ZINC000076697520 177060748 /nfs/dbraw/zinc/06/07/48/177060748.db2.gz YHEVCQKICFAAOX-CVEARBPZSA-N 2 2 258.409 3.039 10 0 CGAELP CC1(C)CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)[C@@H]21 ZINC000076697520 177060749 /nfs/dbraw/zinc/06/07/49/177060749.db2.gz YHEVCQKICFAAOX-CVEARBPZSA-N 2 2 258.409 3.039 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)Cc2ccc(Cl)cc2)C1 ZINC000223038655 270086360 /nfs/dbraw/zinc/08/63/60/270086360.db2.gz SMWUFGCMQJOHQX-BBRMVZONSA-N 2 2 280.843 3.345 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)Cc2ccc(Cl)cc2)C1 ZINC000223038655 270086361 /nfs/dbraw/zinc/08/63/61/270086361.db2.gz SMWUFGCMQJOHQX-BBRMVZONSA-N 2 2 280.843 3.345 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccc(C)c(C)c2)C1 ZINC000250229071 270091310 /nfs/dbraw/zinc/09/13/10/270091310.db2.gz FWJHFSGGLBQXTF-NVXWUHKLSA-N 2 2 260.425 3.438 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccc(C)c(C)c2)C1 ZINC000250229071 270091311 /nfs/dbraw/zinc/09/13/11/270091311.db2.gz FWJHFSGGLBQXTF-NVXWUHKLSA-N 2 2 260.425 3.438 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)CCc2ccccc2)C1 ZINC000250353910 270091424 /nfs/dbraw/zinc/09/14/24/270091424.db2.gz RUYVLVYQNICUNO-WBVHZDCISA-N 2 2 260.425 3.082 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)CCc2ccccc2)C1 ZINC000250353910 270091425 /nfs/dbraw/zinc/09/14/25/270091425.db2.gz RUYVLVYQNICUNO-WBVHZDCISA-N 2 2 260.425 3.082 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCc3cc(OC)ccc32)C1 ZINC000249615026 276179149 /nfs/dbraw/zinc/17/91/49/276179149.db2.gz VBRHFXKEJPQZLH-YJBOKZPZSA-N 2 2 288.435 3.147 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCCc3cc(OC)ccc32)C1 ZINC000249615026 276179151 /nfs/dbraw/zinc/17/91/51/276179151.db2.gz VBRHFXKEJPQZLH-YJBOKZPZSA-N 2 2 288.435 3.147 10 0 CGAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000396547938 288013720 /nfs/dbraw/zinc/01/37/20/288013720.db2.gz CWNDGSLAFGYVJK-MJVIPROJSA-N 2 2 286.341 3.497 10 0 CGAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1cccc(OC(F)F)c1 ZINC000396543444 288013763 /nfs/dbraw/zinc/01/37/63/288013763.db2.gz BGTVIFBFUHMJDV-MISXGVKJSA-N 2 2 284.350 3.079 10 0 CGAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000049195771 519814712 /nfs/dbraw/zinc/81/47/12/519814712.db2.gz UAFVZHVEOQUYNB-WFASDCNBSA-N 2 2 252.377 3.063 10 0 CGAELP CCc1[nH+]c2ccccc2n1[C@H]1CCCC[C@H]1C[NH3+] ZINC000062807348 522506901 /nfs/dbraw/zinc/50/69/01/522506901.db2.gz TZVPHLPQMKUKAH-JSGCOSHPSA-N 2 2 257.381 3.289 10 0 CGAELP CSc1ccc(C[NH2+][C@@H](C[NH+](C)C)C(C)C)cc1 ZINC000049197103 526003668 /nfs/dbraw/zinc/00/36/68/526003668.db2.gz WQOTUFNQBNWBNF-HNNXBMFYSA-N 2 2 266.454 3.084 10 0 CGAELP Fc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000188412299 542247970 /nfs/dbraw/zinc/24/79/70/542247970.db2.gz YAZPDSZDLMNSQB-AWEZNQCLSA-N 2 2 293.773 3.340 10 0 CGAELP Fc1cc(Cl)ccc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000188412299 542247973 /nfs/dbraw/zinc/24/79/73/542247973.db2.gz YAZPDSZDLMNSQB-AWEZNQCLSA-N 2 2 293.773 3.340 10 0 CGAELP CC[NH2+]CC1CCN(c2[nH+]c3ccccc3cc2C)CC1 ZINC000063106696 345243272 /nfs/dbraw/zinc/24/32/72/345243272.db2.gz KJUSBTYTKFPNBG-UHFFFAOYSA-N 2 2 283.419 3.369 10 0 CGAELP Cc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)c(C)c1 ZINC000188399512 542248116 /nfs/dbraw/zinc/24/81/16/542248116.db2.gz KIIRDXUVVFWLJN-KRWDZBQOSA-N 2 2 269.392 3.165 10 0 CGAELP Cc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c(C)c1 ZINC000188399512 542248117 /nfs/dbraw/zinc/24/81/17/542248117.db2.gz KIIRDXUVVFWLJN-KRWDZBQOSA-N 2 2 269.392 3.165 10 0 CGAELP c1ccc(C[NH2+][C@H]2CC[NH2+]Cc3ccccc32)cc1 ZINC000128835665 346044209 /nfs/dbraw/zinc/04/42/09/346044209.db2.gz BCTBFZCCJZWTSA-KRWDZBQOSA-N 2 2 252.361 3.011 10 0 CGAELP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000400362535 296148944 /nfs/dbraw/zinc/14/89/44/296148944.db2.gz QKTIBAGCYUHIPH-SUNKGSAMSA-N 2 2 297.240 3.240 10 0 CGAELP CC(C)(C)CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000112697430 370443459 /nfs/dbraw/zinc/44/34/59/370443459.db2.gz HXEXXGDNCSREQL-CQSZACIVSA-N 2 2 261.413 3.252 10 0 CGAELP CC(C)(C)CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000112697430 370443461 /nfs/dbraw/zinc/44/34/61/370443461.db2.gz HXEXXGDNCSREQL-CQSZACIVSA-N 2 2 261.413 3.252 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](CCC(C)C)C2CC2)C1 ZINC000310688787 374222312 /nfs/dbraw/zinc/22/23/12/374222312.db2.gz WCYJRPOVLYZSPP-HOTGVXAUSA-N 2 2 252.446 3.275 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](CCC(C)C)C2CC2)C1 ZINC000310688787 374222315 /nfs/dbraw/zinc/22/23/15/374222315.db2.gz WCYJRPOVLYZSPP-HOTGVXAUSA-N 2 2 252.446 3.275 10 0 CGAELP CC(C)=CC[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000192288757 375726373 /nfs/dbraw/zinc/72/63/73/375726373.db2.gz STYMXXJRLPTMBM-UHFFFAOYSA-N 2 2 276.399 3.346 10 0 CGAELP C[C@H]1CC[N@H+](Cc2cnc(Cl)s2)C[C@H]1n1cc[nH+]c1 ZINC000246539001 377049178 /nfs/dbraw/zinc/04/91/78/377049178.db2.gz KHOPGOUGVNTPOU-CMPLNLGQSA-N 2 2 296.827 3.076 10 0 CGAELP C[C@H]1CC[N@@H+](Cc2cnc(Cl)s2)C[C@H]1n1cc[nH+]c1 ZINC000246539001 377049183 /nfs/dbraw/zinc/04/91/83/377049183.db2.gz KHOPGOUGVNTPOU-CMPLNLGQSA-N 2 2 296.827 3.076 10 0 CGAELP C[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000247297669 377190251 /nfs/dbraw/zinc/19/02/51/377190251.db2.gz ZNBUSXYSNXDYKU-BLLLJJGKSA-N 2 2 291.345 3.244 10 0 CGAELP C[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000247297669 377190259 /nfs/dbraw/zinc/19/02/59/377190259.db2.gz ZNBUSXYSNXDYKU-BLLLJJGKSA-N 2 2 291.345 3.244 10 0 CGAELP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@H+](CC)C2)C12CCCCC2 ZINC000250308031 377558303 /nfs/dbraw/zinc/55/83/03/377558303.db2.gz LLPVXYOPMNYXMC-GVDBMIGSSA-N 2 2 294.483 3.188 10 0 CGAELP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@@H+](CC)C2)C12CCCCC2 ZINC000250308031 377558310 /nfs/dbraw/zinc/55/83/10/377558310.db2.gz LLPVXYOPMNYXMC-GVDBMIGSSA-N 2 2 294.483 3.188 10 0 CGAELP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1c(F)cccc1F ZINC000643452457 380308232 /nfs/dbraw/zinc/30/82/32/380308232.db2.gz SWKGDSYJIUGXQE-SRVKXCTJSA-N 2 2 268.351 3.004 10 0 CGAELP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)o1 ZINC000227536918 542294226 /nfs/dbraw/zinc/29/42/26/542294226.db2.gz ZNKTWGOZVHAKQA-NILFDRSVSA-N 2 2 256.349 3.383 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)C1 ZINC000328321110 285377210 /nfs/dbraw/zinc/37/72/10/285377210.db2.gz DVFMYMVXMJLDSL-TZMCWYRMSA-N 2 2 280.412 3.046 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)C1 ZINC000328321110 285377211 /nfs/dbraw/zinc/37/72/11/285377211.db2.gz DVFMYMVXMJLDSL-TZMCWYRMSA-N 2 2 280.412 3.046 10 0 CGAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[NH+]1CCC(C)(C)CC1 ZINC000061818565 522653510 /nfs/dbraw/zinc/65/35/10/522653510.db2.gz VCCLPTCIKURJJT-UKRRQHHQSA-N 2 2 264.413 3.488 10 0 CGAELP CC1(C)C[N@H+](Cc2cc(Cl)ccc2F)CC[C@H]1[NH3+] ZINC000261571750 165817895 /nfs/dbraw/zinc/81/78/95/165817895.db2.gz LFBNNZSDWIAFFZ-CYBMUJFWSA-N 2 2 270.779 3.038 10 0 CGAELP CC1(C)C[N@@H+](Cc2cc(Cl)ccc2F)CC[C@H]1[NH3+] ZINC000261571750 165817896 /nfs/dbraw/zinc/81/78/96/165817896.db2.gz LFBNNZSDWIAFFZ-CYBMUJFWSA-N 2 2 270.779 3.038 10 0 CGAELP COc1ccc(C[N@H+](C)[C@@H](C[NH3+])c2cccc(C)c2)cc1 ZINC000020225506 171088337 /nfs/dbraw/zinc/08/83/37/171088337.db2.gz XVQLCITVXMFCNB-SFHVURJKSA-N 2 2 284.403 3.135 10 0 CGAELP COc1ccc(C[N@@H+](C)[C@@H](C[NH3+])c2cccc(C)c2)cc1 ZINC000020225506 171088338 /nfs/dbraw/zinc/08/83/38/171088338.db2.gz XVQLCITVXMFCNB-SFHVURJKSA-N 2 2 284.403 3.135 10 0 CGAELP Clc1ccc(/C=C/C[NH2+][C@H]2C[NH+]3CCC2CC3)cc1 ZINC000020477360 171221180 /nfs/dbraw/zinc/22/11/80/171221180.db2.gz OQZXOPRLLTUGON-PYKQWIPUSA-N 2 2 276.811 3.037 10 0 CGAELP C[N@H+](Cc1cccc(F)c1)[C@H](C[NH3+])C1CCCCC1 ZINC000020545701 171243685 /nfs/dbraw/zinc/24/36/85/171243685.db2.gz SKMZJFHUQGVAQN-MRXNPFEDSA-N 2 2 264.388 3.165 10 0 CGAELP C[N@@H+](Cc1cccc(F)c1)[C@H](C[NH3+])C1CCCCC1 ZINC000020545701 171243686 /nfs/dbraw/zinc/24/36/86/171243686.db2.gz SKMZJFHUQGVAQN-MRXNPFEDSA-N 2 2 264.388 3.165 10 0 CGAELP C[C@H]1C[C@H](C)C[NH+](C2(C[NH3+])CCCCCCC2)C1 ZINC000021026900 171291152 /nfs/dbraw/zinc/29/11/52/171291152.db2.gz KDSLMOCBCDULJO-GJZGRUSLSA-N 2 2 252.446 3.406 10 0 CGAELP C[N@H+]([C@H](C[NH3+])c1ccc(F)cc1)C1CCCCC1 ZINC000022175486 171370294 /nfs/dbraw/zinc/37/02/94/171370294.db2.gz IADMEDIGHABCMJ-OAHLLOKOSA-N 2 2 250.361 3.090 10 0 CGAELP C[N@@H+]([C@H](C[NH3+])c1ccc(F)cc1)C1CCCCC1 ZINC000022175486 171370296 /nfs/dbraw/zinc/37/02/96/171370296.db2.gz IADMEDIGHABCMJ-OAHLLOKOSA-N 2 2 250.361 3.090 10 0 CGAELP CC[N@H+]([C@H](C[NH3+])c1ccsc1)C1CCCCC1 ZINC000022176846 171370835 /nfs/dbraw/zinc/37/08/35/171370835.db2.gz LVNRFFFKNFVDID-CQSZACIVSA-N 2 2 252.427 3.403 10 0 CGAELP CC[N@@H+]([C@H](C[NH3+])c1ccsc1)C1CCCCC1 ZINC000022176846 171370837 /nfs/dbraw/zinc/37/08/37/171370837.db2.gz LVNRFFFKNFVDID-CQSZACIVSA-N 2 2 252.427 3.403 10 0 CGAELP [NH3+]CC1([N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)CCCCC1 ZINC000035176761 172030278 /nfs/dbraw/zinc/03/02/78/172030278.db2.gz JNTCLIJQDQPVPB-LSDHHAIUSA-N 2 2 250.430 3.160 10 0 CGAELP [NH3+]CC1([N@H+]2CC[C@@H]3CCCC[C@@H]3C2)CCCCC1 ZINC000035176761 172030279 /nfs/dbraw/zinc/03/02/79/172030279.db2.gz JNTCLIJQDQPVPB-LSDHHAIUSA-N 2 2 250.430 3.160 10 0 CGAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(C(C)C)cc1 ZINC000035570182 172265597 /nfs/dbraw/zinc/26/55/97/172265597.db2.gz RZVOVDQZVQTKBM-HNNXBMFYSA-N 2 2 257.381 3.426 10 0 CGAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(Br)cc1 ZINC000035570413 172266715 /nfs/dbraw/zinc/26/67/15/172266715.db2.gz MBJGBDQUTZMQMR-GFCCVEGCSA-N 2 2 294.196 3.066 10 0 CGAELP CCC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(Br)o1 ZINC000035586297 172285778 /nfs/dbraw/zinc/28/57/78/172285778.db2.gz HPHZCNKPGUSWOH-VIFPVBQESA-N 2 2 298.184 3.049 10 0 CGAELP C[C@H]1CCC[C@](C[NH3+])([N@H+](C)Cc2ccsc2)C1 ZINC000035719094 172373385 /nfs/dbraw/zinc/37/33/85/172373385.db2.gz QSWALIJOQCYCQK-JSGCOSHPSA-N 2 2 252.427 3.088 10 0 CGAELP C[C@H]1CCC[C@](C[NH3+])([N@@H+](C)Cc2ccsc2)C1 ZINC000035719094 172373387 /nfs/dbraw/zinc/37/33/87/172373387.db2.gz QSWALIJOQCYCQK-JSGCOSHPSA-N 2 2 252.427 3.088 10 0 CGAELP C[N@H+]([C@H](C[NH3+])c1cc(F)ccc1F)C1CCCCC1 ZINC000037233481 173052572 /nfs/dbraw/zinc/05/25/72/173052572.db2.gz HNWJAXNDINAUSN-OAHLLOKOSA-N 2 2 268.351 3.229 10 0 CGAELP C[N@@H+]([C@H](C[NH3+])c1cc(F)ccc1F)C1CCCCC1 ZINC000037233481 173052575 /nfs/dbraw/zinc/05/25/75/173052575.db2.gz HNWJAXNDINAUSN-OAHLLOKOSA-N 2 2 268.351 3.229 10 0 CGAELP CCC[NH2+][C@H](C)[C@@H](C)Cc1[nH+]cc(C)c(OC)c1C ZINC000037949712 173889883 /nfs/dbraw/zinc/88/98/83/173889883.db2.gz XKVQDXGVRNRSIM-SMDDNHRTSA-N 2 2 264.413 3.274 10 0 CGAELP Clc1ccccc1-c1c[nH]c(CC2CC[NH2+]CC2)[nH+]1 ZINC000038076140 174086578 /nfs/dbraw/zinc/08/65/78/174086578.db2.gz OECKCINDDRYKFH-UHFFFAOYSA-N 2 2 275.783 3.272 10 0 CGAELP [NH3+]CCCc1[nH+]c2ccc(Cl)cc2n1Cc1ccco1 ZINC000040410172 174254663 /nfs/dbraw/zinc/25/46/63/174254663.db2.gz LGHKRBUGMRTHGE-UHFFFAOYSA-N 2 2 289.766 3.222 10 0 CGAELP CCC[N@H+](CC[NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000076671762 177053649 /nfs/dbraw/zinc/05/36/49/177053649.db2.gz OGQSMDXFQOWDEI-UHFFFAOYSA-N 2 2 261.196 3.164 10 0 CGAELP CCC[N@@H+](CC[NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000076671762 177053650 /nfs/dbraw/zinc/05/36/50/177053650.db2.gz OGQSMDXFQOWDEI-UHFFFAOYSA-N 2 2 261.196 3.164 10 0 CGAELP Cc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)c(C)c1 ZINC000657317292 419249431 /nfs/dbraw/zinc/24/94/31/419249431.db2.gz BJMHXNNCRIJMEB-AWEZNQCLSA-N 2 2 269.392 3.297 10 0 CGAELP Cc1oncc1C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189911754 270072361 /nfs/dbraw/zinc/07/23/61/270072361.db2.gz APCJTUZRHLNKAJ-GFCCVEGCSA-N 2 2 282.347 3.020 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC000250268265 270091363 /nfs/dbraw/zinc/09/13/63/270091363.db2.gz KUIMXQBVHVBNSM-CVEARBPZSA-N 2 2 260.425 3.438 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC000250268265 270091364 /nfs/dbraw/zinc/09/13/64/270091364.db2.gz KUIMXQBVHVBNSM-CVEARBPZSA-N 2 2 260.425 3.438 10 0 CGAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1ccccc1OC(F)F ZINC000396581090 288014424 /nfs/dbraw/zinc/01/44/24/288014424.db2.gz PGUIDROWRALLTP-GMXVVIOVSA-N 2 2 284.350 3.079 10 0 CGAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1cccc(Br)c1 ZINC000396636414 288014668 /nfs/dbraw/zinc/01/46/68/288014668.db2.gz NRVNHCUWBFBPGG-MISXGVKJSA-N 2 2 297.240 3.240 10 0 CGAELP Cc1cccc2oc([C@@H]3CCC[N@@H+]3C3CC[NH2+]CC3)nc21 ZINC000038052725 302073597 /nfs/dbraw/zinc/07/35/97/302073597.db2.gz HHMVTLSNWVLNFO-AWEZNQCLSA-N 2 2 285.391 3.025 10 0 CGAELP Cc1cccc2oc([C@@H]3CCC[N@H+]3C3CC[NH2+]CC3)nc21 ZINC000038052725 302073598 /nfs/dbraw/zinc/07/35/98/302073598.db2.gz HHMVTLSNWVLNFO-AWEZNQCLSA-N 2 2 285.391 3.025 10 0 CGAELP CC(C)[C@H]1C[N@H+](Cc2ccccc2Cl)CCC[NH2+]1 ZINC000062663569 519826961 /nfs/dbraw/zinc/82/69/61/519826961.db2.gz FINSQQLKJGHXME-OAHLLOKOSA-N 2 2 266.816 3.160 10 0 CGAELP CC(C)[C@H]1C[N@@H+](Cc2ccccc2Cl)CCC[NH2+]1 ZINC000062663569 519826962 /nfs/dbraw/zinc/82/69/62/519826962.db2.gz FINSQQLKJGHXME-OAHLLOKOSA-N 2 2 266.816 3.160 10 0 CGAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@H](CC)C(C)C ZINC000054602446 519909510 /nfs/dbraw/zinc/90/95/10/519909510.db2.gz DTHGFOCQTHNIMQ-WTXIUTQJSA-N 2 2 252.446 3.416 10 0 CGAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@H](CC)C(C)C ZINC000054602446 519909512 /nfs/dbraw/zinc/90/95/12/519909512.db2.gz DTHGFOCQTHNIMQ-WTXIUTQJSA-N 2 2 252.446 3.416 10 0 CGAELP CCC[NH2+][C@@H]1CC[N@@H+]([C@@H](CC)c2cccs2)C1 ZINC000049530938 520025248 /nfs/dbraw/zinc/02/52/48/520025248.db2.gz DAFWPGOIJWFAOA-OLZOCXBDSA-N 2 2 252.427 3.273 10 0 CGAELP CCC[NH2+][C@@H]1CC[N@H+]([C@@H](CC)c2cccs2)C1 ZINC000049530938 520025255 /nfs/dbraw/zinc/02/52/55/520025255.db2.gz DAFWPGOIJWFAOA-OLZOCXBDSA-N 2 2 252.427 3.273 10 0 CGAELP Clc1ccccc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177100583 534649449 /nfs/dbraw/zinc/64/94/49/534649449.db2.gz NPRSRVOUSLBISH-CQSZACIVSA-N 2 2 275.783 3.201 10 0 CGAELP Clc1ccccc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177100583 534649454 /nfs/dbraw/zinc/64/94/54/534649454.db2.gz NPRSRVOUSLBISH-CQSZACIVSA-N 2 2 275.783 3.201 10 0 CGAELP CC[C@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccc(F)c(C)c2)C1 ZINC000050546100 523095277 /nfs/dbraw/zinc/09/52/77/523095277.db2.gz MIXFZANRVPEUBB-BBRMVZONSA-N 2 2 264.388 3.256 10 0 CGAELP CC[C@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccc(F)c(C)c2)C1 ZINC000050546100 523095287 /nfs/dbraw/zinc/09/52/87/523095287.db2.gz MIXFZANRVPEUBB-BBRMVZONSA-N 2 2 264.388 3.256 10 0 CGAELP CC1(C)C[C@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc2O1 ZINC000082504920 178069517 /nfs/dbraw/zinc/06/95/17/178069517.db2.gz VDHLSCBKSDFEJD-HNNXBMFYSA-N 2 2 285.391 3.165 10 0 CGAELP Cc1cc[nH+]c(N2CCC[C@@H]([NH+]3CCCCCC3)C2)c1 ZINC000091482478 345816193 /nfs/dbraw/zinc/81/61/93/345816193.db2.gz HGMWXWCQCIUGJY-MRXNPFEDSA-N 2 2 273.424 3.235 10 0 CGAELP CCC[C@@](C)(C[NH2+]CC)C[N@H+](C)Cc1scnc1C ZINC000104449408 186005720 /nfs/dbraw/zinc/00/57/20/186005720.db2.gz MYZDLXZPYRJDME-HNNXBMFYSA-N 2 2 283.485 3.299 10 0 CGAELP CCC[C@@](C)(C[NH2+]CC)C[N@@H+](C)Cc1scnc1C ZINC000104449408 186005721 /nfs/dbraw/zinc/00/57/21/186005721.db2.gz MYZDLXZPYRJDME-HNNXBMFYSA-N 2 2 283.485 3.299 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccccc1C ZINC000178293278 189104031 /nfs/dbraw/zinc/10/40/31/189104031.db2.gz DBQWCXPGICLDJM-KRWDZBQOSA-N 2 2 269.392 3.165 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccccc1C ZINC000178293278 189104032 /nfs/dbraw/zinc/10/40/32/189104032.db2.gz DBQWCXPGICLDJM-KRWDZBQOSA-N 2 2 269.392 3.165 10 0 CGAELP CCCC[N@H+](C)[C@@H](C[NH3+])c1ccc(SC)cc1 ZINC000034938064 368980107 /nfs/dbraw/zinc/98/01/07/368980107.db2.gz LPOJSVJALSOZHG-AWEZNQCLSA-N 2 2 252.427 3.140 10 0 CGAELP CCCC[N@@H+](C)[C@@H](C[NH3+])c1ccc(SC)cc1 ZINC000034938064 368980113 /nfs/dbraw/zinc/98/01/13/368980113.db2.gz LPOJSVJALSOZHG-AWEZNQCLSA-N 2 2 252.427 3.140 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000040502675 369157692 /nfs/dbraw/zinc/15/76/92/369157692.db2.gz SAVLCFANAKDFNF-CGZBRXJRSA-N 2 2 258.409 3.007 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000040502675 369157696 /nfs/dbraw/zinc/15/76/96/369157696.db2.gz SAVLCFANAKDFNF-CGZBRXJRSA-N 2 2 258.409 3.007 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000040502401 369158341 /nfs/dbraw/zinc/15/83/41/369158341.db2.gz FWJHFSGGLBQXTF-RDJZCZTQSA-N 2 2 260.425 3.438 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000040502401 369158343 /nfs/dbraw/zinc/15/83/43/369158343.db2.gz FWJHFSGGLBQXTF-RDJZCZTQSA-N 2 2 260.425 3.438 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000040502958 369158503 /nfs/dbraw/zinc/15/85/03/369158503.db2.gz AGJJBWYTRRJDOO-IAGOWNOFSA-N 2 2 276.399 3.351 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000040502958 369158506 /nfs/dbraw/zinc/15/85/06/369158506.db2.gz AGJJBWYTRRJDOO-IAGOWNOFSA-N 2 2 276.399 3.351 10 0 CGAELP C[C@@H]([NH2+][C@H](C)c1cnccn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151686394 371626254 /nfs/dbraw/zinc/62/62/54/371626254.db2.gz LDVQPIPMDXEGEK-ZIAGYGMSSA-N 2 2 293.374 3.074 10 0 CGAELP Cc1cccc([C@H](C)[NH2+][C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000151839991 371642780 /nfs/dbraw/zinc/64/27/80/371642780.db2.gz NVNSLHFTYUWQPR-ZOBUZTSGSA-N 2 2 260.425 3.374 10 0 CGAELP Cc1cccc([C@H](C)[NH2+][C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000151839991 371642785 /nfs/dbraw/zinc/64/27/85/371642785.db2.gz NVNSLHFTYUWQPR-ZOBUZTSGSA-N 2 2 260.425 3.374 10 0 CGAELP CCC[C@H](C)[NH2+]CCn1c(CC)[nH+]c2ccccc21 ZINC000062808146 541887635 /nfs/dbraw/zinc/88/76/35/541887635.db2.gz XDDKLVJVHHMKQQ-ZDUSSCGKSA-N 2 2 259.397 3.377 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1C ZINC000180239451 373981116 /nfs/dbraw/zinc/98/11/16/373981116.db2.gz GCFVOMDAVNZJDI-QGZVFWFLSA-N 2 2 287.382 3.304 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc(F)ccc1C ZINC000180239451 373981122 /nfs/dbraw/zinc/98/11/22/373981122.db2.gz GCFVOMDAVNZJDI-QGZVFWFLSA-N 2 2 287.382 3.304 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(C)nc2C)C1 ZINC000186989775 374950853 /nfs/dbraw/zinc/95/08/53/374950853.db2.gz YMWFSBZRQBZBIV-KRWDZBQOSA-N 2 2 298.434 3.294 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(C)nc2C)C1 ZINC000186989775 374950860 /nfs/dbraw/zinc/95/08/60/374950860.db2.gz YMWFSBZRQBZBIV-KRWDZBQOSA-N 2 2 298.434 3.294 10 0 CGAELP C[C@H]1CC[N@H+](Cc2ccc(F)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000245574411 376861190 /nfs/dbraw/zinc/86/11/90/376861190.db2.gz HKCZWVHRBAMDFV-BLLLJJGKSA-N 2 2 291.345 3.244 10 0 CGAELP C[C@H]1CC[N@@H+](Cc2ccc(F)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000245574411 376861200 /nfs/dbraw/zinc/86/12/00/376861200.db2.gz HKCZWVHRBAMDFV-BLLLJJGKSA-N 2 2 291.345 3.244 10 0 CGAELP COc1ccc(CC[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000247691492 377233633 /nfs/dbraw/zinc/23/36/33/377233633.db2.gz SRTZUBUMSYTZEE-CRAIPNDOSA-N 2 2 299.418 3.017 10 0 CGAELP COc1ccc(CC[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000247691492 377233643 /nfs/dbraw/zinc/23/36/43/377233643.db2.gz SRTZUBUMSYTZEE-CRAIPNDOSA-N 2 2 299.418 3.017 10 0 CGAELP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)o1 ZINC000249782737 542341131 /nfs/dbraw/zinc/34/11/31/542341131.db2.gz LOLWFUTUQNTQIU-YCPHGPKFSA-N 2 2 285.391 3.264 10 0 CGAELP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)o1 ZINC000249782737 542341135 /nfs/dbraw/zinc/34/11/35/542341135.db2.gz LOLWFUTUQNTQIU-YCPHGPKFSA-N 2 2 285.391 3.264 10 0 CGAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000381059809 392905659 /nfs/dbraw/zinc/90/56/59/392905659.db2.gz KHDQFQPOCAKBRH-CUSZFKRNSA-N 2 2 290.451 3.053 10 0 CGAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000381059809 392905660 /nfs/dbraw/zinc/90/56/60/392905660.db2.gz KHDQFQPOCAKBRH-CUSZFKRNSA-N 2 2 290.451 3.053 10 0 CGAELP CCOc1ccc([C@H](C[NH3+])[N@H+](C)CC(C)(C)C)cc1 ZINC000020226255 171092167 /nfs/dbraw/zinc/09/21/67/171092167.db2.gz AEYKZLXGFXKDSB-HNNXBMFYSA-N 2 2 264.413 3.063 10 0 CGAELP CCOc1ccc([C@H](C[NH3+])[N@@H+](C)CC(C)(C)C)cc1 ZINC000020226255 171092169 /nfs/dbraw/zinc/09/21/69/171092169.db2.gz AEYKZLXGFXKDSB-HNNXBMFYSA-N 2 2 264.413 3.063 10 0 CGAELP [NH3+]C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCCCCC1 ZINC000022175862 171370421 /nfs/dbraw/zinc/37/04/21/171370421.db2.gz LRGRLPMSWVKXMD-AWEZNQCLSA-N 2 2 284.350 3.164 10 0 CGAELP CCOc1ccccc1[C@H](C[NH3+])[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000022219317 171377422 /nfs/dbraw/zinc/37/74/22/171377422.db2.gz BMBPIZPLSGZGKK-FMKPAKJESA-N 2 2 276.424 3.063 10 0 CGAELP Cc1ccsc1[C@H](C[NH3+])[N@@H+](C)C1CCCCC1 ZINC000022221901 171378254 /nfs/dbraw/zinc/37/82/54/171378254.db2.gz GZEIKSRPTHTDRX-ZDUSSCGKSA-N 2 2 252.427 3.321 10 0 CGAELP Cc1ccsc1[C@H](C[NH3+])[N@H+](C)C1CCCCC1 ZINC000022221901 171378255 /nfs/dbraw/zinc/37/82/55/171378255.db2.gz GZEIKSRPTHTDRX-ZDUSSCGKSA-N 2 2 252.427 3.321 10 0 CGAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc2ccccc2c1 ZINC000035504227 172237855 /nfs/dbraw/zinc/23/78/55/172237855.db2.gz BPAKCIPEBLNKHZ-HNNXBMFYSA-N 2 2 251.333 3.066 10 0 CGAELP CCC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1F ZINC000035586496 172286019 /nfs/dbraw/zinc/28/60/19/172286019.db2.gz ANGGTMREPLJSFZ-CYBMUJFWSA-N 2 2 281.762 3.486 10 0 CGAELP COc1ccccc1C[C@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000037321603 270029271 /nfs/dbraw/zinc/02/92/71/270029271.db2.gz IBLWKAVTRHKCRL-RDJZCZTQSA-N 2 2 292.467 3.192 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC000250268269 270091282 /nfs/dbraw/zinc/09/12/82/270091282.db2.gz KUIMXQBVHVBNSM-HZPDHXFCSA-N 2 2 260.425 3.438 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC000250268269 270091283 /nfs/dbraw/zinc/09/12/83/270091283.db2.gz KUIMXQBVHVBNSM-HZPDHXFCSA-N 2 2 260.425 3.438 10 0 CGAELP CC[C@H]([NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C)c1ccccc1 ZINC000246208301 288091668 /nfs/dbraw/zinc/09/16/68/288091668.db2.gz JYURYJFCDCSJSE-PVAVHDDUSA-N 2 2 260.425 3.456 10 0 CGAELP CC[C@H]([NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C)c1ccccc1 ZINC000246208301 288091671 /nfs/dbraw/zinc/09/16/71/288091671.db2.gz JYURYJFCDCSJSE-PVAVHDDUSA-N 2 2 260.425 3.456 10 0 CGAELP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000336655124 279284416 /nfs/dbraw/zinc/28/44/16/279284416.db2.gz FUORMISDQPKXEH-QSJFSLAZSA-N 2 2 260.425 3.141 10 0 CGAELP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000336655124 279284417 /nfs/dbraw/zinc/28/44/17/279284417.db2.gz FUORMISDQPKXEH-QSJFSLAZSA-N 2 2 260.425 3.141 10 0 CGAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000176474330 335285530 /nfs/dbraw/zinc/28/55/30/335285530.db2.gz JHKDSHIQFKPASH-INMHGKMJSA-N 2 2 260.425 3.108 10 0 CGAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000176474330 335285531 /nfs/dbraw/zinc/28/55/31/335285531.db2.gz JHKDSHIQFKPASH-INMHGKMJSA-N 2 2 260.425 3.108 10 0 CGAELP CC(C)[NH2+]C[C@@H](C)C[N@@H+](C)Cc1ccccc1Cl ZINC000052371919 519722671 /nfs/dbraw/zinc/72/26/71/519722671.db2.gz IPFPRUOHBYKPSC-CYBMUJFWSA-N 2 2 268.832 3.406 10 0 CGAELP CC(C)[NH2+]C[C@@H](C)C[N@H+](C)Cc1ccccc1Cl ZINC000052371919 519722670 /nfs/dbraw/zinc/72/26/70/519722670.db2.gz IPFPRUOHBYKPSC-CYBMUJFWSA-N 2 2 268.832 3.406 10 0 CGAELP CCCC1CC[NH+]([C@@H](C[NH2+]C)c2ccccc2)CC1 ZINC000052374128 519902909 /nfs/dbraw/zinc/90/29/09/519902909.db2.gz KGKZWQZSKWQRRI-KRWDZBQOSA-N 2 2 260.425 3.459 10 0 CGAELP CCCC1CC[NH+]([C@@H]2CCCCC[C@@H]2[NH2+]C)CC1 ZINC000050893439 519903241 /nfs/dbraw/zinc/90/32/41/519903241.db2.gz MRXQETWLIFGECC-JKSUJKDBSA-N 2 2 252.446 3.419 10 0 CGAELP CC[NH2+]C1CC[NH+]([C@H](C)c2cccc(Cl)c2)CC1 ZINC000049526035 519908623 /nfs/dbraw/zinc/90/86/23/519908623.db2.gz DJXLMRQDTBVTSA-GFCCVEGCSA-N 2 2 266.816 3.475 10 0 CGAELP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cccc(-c2ccncc2)c1 ZINC000155759267 525375046 /nfs/dbraw/zinc/37/50/46/525375046.db2.gz STHPRGMLHHQGJG-HNNXBMFYSA-N 2 2 292.386 3.296 10 0 CGAELP Cc1occc1C[N@@H+](C)[C@@H](C[NH2+]C(C)C)C(C)C ZINC000052346443 526826078 /nfs/dbraw/zinc/82/60/78/526826078.db2.gz BDBANNDBMKLNPT-HNNXBMFYSA-N 2 2 252.402 3.042 10 0 CGAELP Cc1occc1C[N@H+](C)[C@@H](C[NH2+]C(C)C)C(C)C ZINC000052346443 526826083 /nfs/dbraw/zinc/82/60/83/526826083.db2.gz BDBANNDBMKLNPT-HNNXBMFYSA-N 2 2 252.402 3.042 10 0 CGAELP Cc1[nH]c(C[NH2+][C@H](c2ccc(F)cc2)C(C)C)c[nH+]1 ZINC000054821787 526894699 /nfs/dbraw/zinc/89/46/99/526894699.db2.gz KZMJLYUXSHVYEM-HNNXBMFYSA-N 2 2 261.344 3.344 10 0 CGAELP [NH3+]C[C@H](c1csc2ccccc12)[NH+]1CCCCC1 ZINC000054463933 527230124 /nfs/dbraw/zinc/23/01/24/527230124.db2.gz JGUDWJWEXIFWDD-CQSZACIVSA-N 2 2 260.406 3.387 10 0 CGAELP Cc1cccc([C@@H]2[C@@H]([NH3+])CC[N@@H+]2Cc2ccccc2)c1 ZINC000096947856 185137837 /nfs/dbraw/zinc/13/78/37/185137837.db2.gz JGLYJTNUHMKDRV-ZWKOTPCHSA-N 2 2 266.388 3.269 10 0 CGAELP Cc1cccc([C@@H]2[C@@H]([NH3+])CC[N@H+]2Cc2ccccc2)c1 ZINC000096947856 185137838 /nfs/dbraw/zinc/13/78/38/185137838.db2.gz JGLYJTNUHMKDRV-ZWKOTPCHSA-N 2 2 266.388 3.269 10 0 CGAELP FC1(CC[C@@H]2c3ccccc3-c3c[nH+]cn32)CC[NH2+]CC1 ZINC000584638774 346701577 /nfs/dbraw/zinc/70/15/77/346701577.db2.gz HVZMEQXVMNLAJR-OAHLLOKOSA-N 2 2 285.366 3.325 10 0 CGAELP C[NH2+]N(C)CC[C@H](C)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000584637355 346701737 /nfs/dbraw/zinc/70/17/37/346701737.db2.gz JHUGDTFNZUOSMX-NSHDSACASA-N 2 2 292.814 3.145 10 0 CGAELP c1[nH]cc([C@H]2CCCC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000616630229 348852494 /nfs/dbraw/zinc/85/24/94/348852494.db2.gz TTXOTRKFCHNDPN-HNNXBMFYSA-N 2 2 255.365 3.179 10 0 CGAELP c1[nH]cc([C@H]2CCCC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000616630229 348852499 /nfs/dbraw/zinc/85/24/99/348852499.db2.gz TTXOTRKFCHNDPN-HNNXBMFYSA-N 2 2 255.365 3.179 10 0 CGAELP CSc1ccc([C@H](C[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000034938059 368980386 /nfs/dbraw/zinc/98/03/86/368980386.db2.gz BGQBYQOTZWLJKW-ZENOOKHLSA-N 2 2 278.465 3.386 10 0 CGAELP CSc1ccc([C@H](C[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000034938059 368980388 /nfs/dbraw/zinc/98/03/88/368980388.db2.gz BGQBYQOTZWLJKW-ZENOOKHLSA-N 2 2 278.465 3.386 10 0 CGAELP C[C@H](CCc1ccccc1)[NH2+]CC1(Cn2cc[nH+]c2)CC1 ZINC000065434418 369676153 /nfs/dbraw/zinc/67/61/53/369676153.db2.gz FTOYQZYVSXPCCI-MRXNPFEDSA-N 2 2 283.419 3.274 10 0 CGAELP CC[NH2+]CC1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000168736675 372617177 /nfs/dbraw/zinc/61/71/77/372617177.db2.gz FLLGRAWAJJDDQM-UHFFFAOYSA-N 2 2 269.392 3.061 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC000094357785 541986935 /nfs/dbraw/zinc/98/69/35/541986935.db2.gz UNEULBLSNNKXAL-INIZCTEOSA-N 2 2 258.409 3.138 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC000094357785 541986940 /nfs/dbraw/zinc/98/69/40/541986940.db2.gz UNEULBLSNNKXAL-INIZCTEOSA-N 2 2 258.409 3.138 10 0 CGAELP C[C@@H]([NH2+][C@H](C[NH+](C)C)c1ccccc1)C1CCSCC1 ZINC000186952301 374943739 /nfs/dbraw/zinc/94/37/39/374943739.db2.gz JYCXDQWUHYKANZ-RHSMWYFYSA-N 2 2 292.492 3.411 10 0 CGAELP Fc1ccc(F)c([C@H]2CCC[N@H+](CCn3cc[nH+]c3)C2)c1 ZINC000191675482 375651612 /nfs/dbraw/zinc/65/16/12/375651612.db2.gz GXNVDGNDBPLYCM-ZDUSSCGKSA-N 2 2 291.345 3.041 10 0 CGAELP Fc1ccc(F)c([C@H]2CCC[N@@H+](CCn3cc[nH+]c3)C2)c1 ZINC000191675482 375651621 /nfs/dbraw/zinc/65/16/21/375651621.db2.gz GXNVDGNDBPLYCM-ZDUSSCGKSA-N 2 2 291.345 3.041 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)c1ccccc1 ZINC000246856427 377105017 /nfs/dbraw/zinc/10/50/17/377105017.db2.gz CJLVEBYPLRUQON-PBHICJAKSA-N 2 2 269.392 3.417 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)c1ccccc1 ZINC000246856427 377105025 /nfs/dbraw/zinc/10/50/25/377105025.db2.gz CJLVEBYPLRUQON-PBHICJAKSA-N 2 2 269.392 3.417 10 0 CGAELP C[C@H]1CC[N@H+](CCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000247130310 377164703 /nfs/dbraw/zinc/16/47/03/377164703.db2.gz NQSQWEMSXOQIMK-DOTOQJQBSA-N 2 2 269.392 3.009 10 0 CGAELP C[C@H]1CC[N@@H+](CCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000247130310 377164710 /nfs/dbraw/zinc/16/47/10/377164710.db2.gz NQSQWEMSXOQIMK-DOTOQJQBSA-N 2 2 269.392 3.009 10 0 CGAELP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000247136348 377165762 /nfs/dbraw/zinc/16/57/62/377165762.db2.gz RXWCCWRGHXWECA-NJAFHUGGSA-N 2 2 289.467 3.316 10 0 CGAELP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000247136348 377165769 /nfs/dbraw/zinc/16/57/69/377165769.db2.gz RXWCCWRGHXWECA-NJAFHUGGSA-N 2 2 289.467 3.316 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccc3c(c2)CCC3)C1 ZINC000250237514 377557005 /nfs/dbraw/zinc/55/70/05/377557005.db2.gz GXTWHXFSZHIVPV-RDTXWAMCSA-N 2 2 272.436 3.310 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccc3c(c2)CCC3)C1 ZINC000250237514 377557015 /nfs/dbraw/zinc/55/70/15/377557015.db2.gz GXTWHXFSZHIVPV-RDTXWAMCSA-N 2 2 272.436 3.310 10 0 CGAELP Clc1cccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000177101980 542190854 /nfs/dbraw/zinc/19/08/54/542190854.db2.gz DRUVNCMMCMIUHU-OAHLLOKOSA-N 2 2 275.783 3.201 10 0 CGAELP Clc1cccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000177101980 542190856 /nfs/dbraw/zinc/19/08/56/542190856.db2.gz DRUVNCMMCMIUHU-OAHLLOKOSA-N 2 2 275.783 3.201 10 0 CGAELP CCc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000185223941 542237918 /nfs/dbraw/zinc/23/79/18/542237918.db2.gz INABLCRLBBBXDM-KRWDZBQOSA-N 2 2 269.392 3.110 10 0 CGAELP CCc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000185223941 542237924 /nfs/dbraw/zinc/23/79/24/542237924.db2.gz INABLCRLBBBXDM-KRWDZBQOSA-N 2 2 269.392 3.110 10 0 CGAELP C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000249463558 542340046 /nfs/dbraw/zinc/34/00/46/542340046.db2.gz GEMQZIMKUWJHRJ-PMPSAXMXSA-N 2 2 261.413 3.174 10 0 CGAELP C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000249463558 542340050 /nfs/dbraw/zinc/34/00/50/542340050.db2.gz GEMQZIMKUWJHRJ-PMPSAXMXSA-N 2 2 261.413 3.174 10 0 CGAELP COc1ccc([C@@H](C)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000249455796 542340117 /nfs/dbraw/zinc/34/01/17/542340117.db2.gz DLLGCRPMMXLUOD-RDJZCZTQSA-N 2 2 299.418 3.160 10 0 CGAELP COc1ccc([C@@H](C)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000249455796 542340119 /nfs/dbraw/zinc/34/01/19/542340119.db2.gz DLLGCRPMMXLUOD-RDJZCZTQSA-N 2 2 299.418 3.160 10 0 CGAELP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C[NH+](C)C)c2ccccc2)CCO1 ZINC000070346272 165057604 /nfs/dbraw/zinc/05/76/04/165057604.db2.gz PWOJTHOZSKCRJT-BZSNNMDCSA-N 2 2 290.451 3.083 10 0 CGAELP CC(C)[C@@H]1C[C@H]([NH2+][C@H](C[NH+](C)C)c2ccccc2)CCO1 ZINC000251339021 165798022 /nfs/dbraw/zinc/79/80/22/165798022.db2.gz PWOJTHOZSKCRJT-KURKYZTESA-N 2 2 290.451 3.083 10 0 CGAELP CCCCCn1c2ccccc2[nH+]c1NCC[NH+](C)C ZINC000006856558 170249416 /nfs/dbraw/zinc/24/94/16/170249416.db2.gz ZRAXKDWOUWIPFW-UHFFFAOYSA-N 2 2 274.412 3.200 10 0 CGAELP C[N@H+](CC1CCCCC1)[C@H](C[NH3+])c1cccs1 ZINC000020225347 171087249 /nfs/dbraw/zinc/08/72/49/171087249.db2.gz TXPRIFRYQVWOIR-CYBMUJFWSA-N 2 2 252.427 3.260 10 0 CGAELP C[N@@H+](CC1CCCCC1)[C@H](C[NH3+])c1cccs1 ZINC000020225347 171087250 /nfs/dbraw/zinc/08/72/50/171087250.db2.gz TXPRIFRYQVWOIR-CYBMUJFWSA-N 2 2 252.427 3.260 10 0 CGAELP COc1ccc(C[N@H+](C)[C@H](C[NH3+])c2ccc(C)cc2)cc1 ZINC000020225563 171088646 /nfs/dbraw/zinc/08/86/46/171088646.db2.gz NZSYHPGUUCQJMK-GOSISDBHSA-N 2 2 284.403 3.135 10 0 CGAELP COc1ccc(C[N@@H+](C)[C@H](C[NH3+])c2ccc(C)cc2)cc1 ZINC000020225563 171088647 /nfs/dbraw/zinc/08/86/47/171088647.db2.gz NZSYHPGUUCQJMK-GOSISDBHSA-N 2 2 284.403 3.135 10 0 CGAELP CCCOc1cccc([C@@H](C[NH3+])[N@H+](C)CC(C)C)c1 ZINC000020226616 171091415 /nfs/dbraw/zinc/09/14/15/171091415.db2.gz DLQOVMGDKWYWFP-MRXNPFEDSA-N 2 2 264.413 3.063 10 0 CGAELP CCCOc1cccc([C@@H](C[NH3+])[N@@H+](C)CC(C)C)c1 ZINC000020226616 171091418 /nfs/dbraw/zinc/09/14/18/171091418.db2.gz DLQOVMGDKWYWFP-MRXNPFEDSA-N 2 2 264.413 3.063 10 0 CGAELP C[C@H]1C[C@@H]1c1ccc([C@@H](C[NH3+])[NH+]2CCCCCC2)o1 ZINC000022172368 171368518 /nfs/dbraw/zinc/36/85/18/171368518.db2.gz UYHKWWLUYHMWBD-MELADBBJSA-N 2 2 262.397 3.279 10 0 CGAELP C[C@H]1C[C@H]1c1ccc([C@@H](C[NH3+])[NH+]2CCCCCC2)o1 ZINC000022172373 171368746 /nfs/dbraw/zinc/36/87/46/171368746.db2.gz UYHKWWLUYHMWBD-BFHYXJOUSA-N 2 2 262.397 3.279 10 0 CGAELP CCC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccccc1Cl ZINC000035586355 172286162 /nfs/dbraw/zinc/28/61/62/172286162.db2.gz USOJIUDAEFHPCQ-CYBMUJFWSA-N 2 2 263.772 3.347 10 0 CGAELP CC(C)CC[C@@](C)(C[NH3+])[N@H+](C)Cc1cccs1 ZINC000035717187 172371668 /nfs/dbraw/zinc/37/16/68/172371668.db2.gz RJZYLOZHRHNEBA-AWEZNQCLSA-N 2 2 254.443 3.334 10 0 CGAELP CC(C)CC[C@@](C)(C[NH3+])[N@@H+](C)Cc1cccs1 ZINC000035717187 172371669 /nfs/dbraw/zinc/37/16/69/172371669.db2.gz RJZYLOZHRHNEBA-AWEZNQCLSA-N 2 2 254.443 3.334 10 0 CGAELP Cc1ccc(N(CCC[NH3+])c2ccc(F)cc2)[nH+]c1 ZINC000037298294 173102880 /nfs/dbraw/zinc/10/28/80/173102880.db2.gz KUPWMZMRZCSSSC-UHFFFAOYSA-N 2 2 259.328 3.016 10 0 CGAELP CC(C)Oc1ccc([C@@H](C[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000039789152 174173167 /nfs/dbraw/zinc/17/31/67/174173167.db2.gz QAJBMLFVHKPSNW-RVKKMQEKSA-N 2 2 290.451 3.452 10 0 CGAELP CC(C)Oc1ccc([C@@H](C[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000039789152 174173168 /nfs/dbraw/zinc/17/31/68/174173168.db2.gz QAJBMLFVHKPSNW-RVKKMQEKSA-N 2 2 290.451 3.452 10 0 CGAELP C[C@@H]1CCC[C@H](C)[N@H+]1[C@H](C[NH3+])c1ccc(F)cc1 ZINC000039789059 174173338 /nfs/dbraw/zinc/17/33/38/174173338.db2.gz WHNDCFSIBZUVBT-TYNCELHUSA-N 2 2 250.361 3.088 10 0 CGAELP C[C@@H]1CCC[C@H](C)[N@@H+]1[C@H](C[NH3+])c1ccc(F)cc1 ZINC000039789059 174173340 /nfs/dbraw/zinc/17/33/40/174173340.db2.gz WHNDCFSIBZUVBT-TYNCELHUSA-N 2 2 250.361 3.088 10 0 CGAELP C[C@@H]1CCC[C@H](C)[N@H+]1[C@@H](C[NH3+])c1ccccc1F ZINC000039789052 174173746 /nfs/dbraw/zinc/17/37/46/174173746.db2.gz PHJYKSUFIFYPKN-ZOWXZIJZSA-N 2 2 250.361 3.088 10 0 CGAELP C[C@@H]1CCC[C@H](C)[N@@H+]1[C@@H](C[NH3+])c1ccccc1F ZINC000039789052 174173750 /nfs/dbraw/zinc/17/37/50/174173750.db2.gz PHJYKSUFIFYPKN-ZOWXZIJZSA-N 2 2 250.361 3.088 10 0 CGAELP Clc1ccc(C[NH2+]CCc2c[nH]c[nH+]2)cc1Cl ZINC000045946327 175387755 /nfs/dbraw/zinc/38/77/55/175387755.db2.gz ORVIMUZUAQWCTC-UHFFFAOYSA-N 2 2 270.163 3.049 10 0 CGAELP Clc1ccc(C[NH2+]CCc2c[nH+]c[nH]2)cc1Cl ZINC000045946327 175387756 /nfs/dbraw/zinc/38/77/56/175387756.db2.gz ORVIMUZUAQWCTC-UHFFFAOYSA-N 2 2 270.163 3.049 10 0 CGAELP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC000071309326 176116841 /nfs/dbraw/zinc/11/68/41/176116841.db2.gz YWGIVCLKRQQLLK-XJKSGUPXSA-N 2 2 260.425 3.339 10 0 CGAELP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC000071309326 176116842 /nfs/dbraw/zinc/11/68/42/176116842.db2.gz YWGIVCLKRQQLLK-XJKSGUPXSA-N 2 2 260.425 3.339 10 0 CGAELP Cc1[nH+]cc(C[NH2+][C@H](C)c2ccc(C)c(C)c2)n1C ZINC000657337506 419255130 /nfs/dbraw/zinc/25/51/30/419255130.db2.gz XVKZBYRRODCOBB-CYBMUJFWSA-N 2 2 257.381 3.196 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2C[C@H](C)c3ccccc32)C1 ZINC000311614009 276179263 /nfs/dbraw/zinc/17/92/63/276179263.db2.gz WCLVXIUBQYYXSV-ZQIUZPCESA-N 2 2 258.409 3.309 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2C[C@H](C)c3ccccc32)C1 ZINC000311614009 276179264 /nfs/dbraw/zinc/17/92/64/276179264.db2.gz WCLVXIUBQYYXSV-ZQIUZPCESA-N 2 2 258.409 3.309 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000085126046 276369481 /nfs/dbraw/zinc/36/94/81/276369481.db2.gz HTGJVKSFBZQXEG-WXRRBKDZSA-N 2 2 278.362 3.181 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000085126046 276369482 /nfs/dbraw/zinc/36/94/82/276369482.db2.gz HTGJVKSFBZQXEG-WXRRBKDZSA-N 2 2 278.362 3.181 10 0 CGAELP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000036858981 279314978 /nfs/dbraw/zinc/31/49/78/279314978.db2.gz QOOZZYHUJUNJFP-RRFJBIMHSA-N 2 2 252.446 3.275 10 0 CGAELP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000036858981 279314980 /nfs/dbraw/zinc/31/49/80/279314980.db2.gz QOOZZYHUJUNJFP-RRFJBIMHSA-N 2 2 252.446 3.275 10 0 CGAELP CC(C)[NH2+]C[C@H](c1ccccc1)[N@H+](C)[C@@H](C)C1CC1 ZINC000052479311 519724727 /nfs/dbraw/zinc/72/47/27/519724727.db2.gz QQDIQZHUSHSLQG-WMLDXEAASA-N 2 2 260.425 3.456 10 0 CGAELP CC(C)[NH2+]C[C@H](c1ccccc1)[N@@H+](C)[C@@H](C)C1CC1 ZINC000052479311 519724731 /nfs/dbraw/zinc/72/47/31/519724731.db2.gz QQDIQZHUSHSLQG-WMLDXEAASA-N 2 2 260.425 3.456 10 0 CGAELP CC(C)[C@H]1C[N@H+](Cc2cccc(Cl)c2)CCC[NH2+]1 ZINC000062663558 519826892 /nfs/dbraw/zinc/82/68/92/519826892.db2.gz RMQNEAPXCAYMMP-OAHLLOKOSA-N 2 2 266.816 3.160 10 0 CGAELP CC(C)[C@H]1C[N@@H+](Cc2cccc(Cl)c2)CCC[NH2+]1 ZINC000062663558 519826893 /nfs/dbraw/zinc/82/68/93/519826893.db2.gz RMQNEAPXCAYMMP-OAHLLOKOSA-N 2 2 266.816 3.160 10 0 CGAELP CCc1[nH+]c2ccccc2n1[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000062807595 522507302 /nfs/dbraw/zinc/50/73/02/522507302.db2.gz WXFSPQFIIYLEQA-GXTWGEPZSA-N 2 2 257.381 3.431 10 0 CGAELP C[C@@H]1[C@@H](C)CCC[N@@H+]1[C@@H](C[NH3+])c1ccccc1Cl ZINC000050563491 525641895 /nfs/dbraw/zinc/64/18/95/525641895.db2.gz FBXDDZDWNWQFNW-ZOWXZIJZSA-N 2 2 266.816 3.460 10 0 CGAELP C[C@@H]1[C@@H](C)CCC[N@H+]1[C@@H](C[NH3+])c1ccccc1Cl ZINC000050563491 525641896 /nfs/dbraw/zinc/64/18/96/525641896.db2.gz FBXDDZDWNWQFNW-ZOWXZIJZSA-N 2 2 266.816 3.460 10 0 CGAELP c1ccc(CC[N@@H+]2CC[C@@H]([NH2+][C@H]3CC=CCC3)C2)cc1 ZINC000088746995 526464486 /nfs/dbraw/zinc/46/44/86/526464486.db2.gz RDEICIXIQXGNJR-ZWKOTPCHSA-N 2 2 270.420 3.002 10 0 CGAELP c1ccc(CC[N@H+]2CC[C@@H]([NH2+][C@H]3CC=CCC3)C2)cc1 ZINC000088746995 526464492 /nfs/dbraw/zinc/46/44/92/526464492.db2.gz RDEICIXIQXGNJR-ZWKOTPCHSA-N 2 2 270.420 3.002 10 0 CGAELP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2C(C)(C)C)C1 ZINC000250697571 571884041 /nfs/dbraw/zinc/88/40/41/571884041.db2.gz MKTGHRLOPCKVSD-ZNMIVQPWSA-N 2 2 252.446 3.275 10 0 CGAELP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2C(C)(C)C)C1 ZINC000250697571 571884043 /nfs/dbraw/zinc/88/40/43/571884043.db2.gz MKTGHRLOPCKVSD-ZNMIVQPWSA-N 2 2 252.446 3.275 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3c(OC)cccc32)C1 ZINC000194861493 346272526 /nfs/dbraw/zinc/27/25/26/346272526.db2.gz JFFXEGLEKMVXOU-RHSMWYFYSA-N 2 2 288.435 3.147 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3c(OC)cccc32)C1 ZINC000194861493 346272529 /nfs/dbraw/zinc/27/25/29/346272529.db2.gz JFFXEGLEKMVXOU-RHSMWYFYSA-N 2 2 288.435 3.147 10 0 CGAELP Cc1cc2ccccc2[nH+]c1N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228551090 346314834 /nfs/dbraw/zinc/31/48/34/346314834.db2.gz IAODJBOPUULVFN-ARFHVFGLSA-N 2 2 281.403 3.107 10 0 CGAELP Cc1cccc(NC[C@H]2CCN(c3cccc(C)[nH+]3)C2)[nH+]1 ZINC000157332308 188311012 /nfs/dbraw/zinc/31/10/12/188311012.db2.gz FGCPPVFFBRHVQA-OAHLLOKOSA-N 2 2 282.391 3.032 10 0 CGAELP CC(C)Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000128228031 138392478 /nfs/dbraw/zinc/39/24/78/138392478.db2.gz KWRQGLNCONNSEQ-MSOLQXFVSA-N 2 2 272.436 3.211 10 0 CGAELP CC(C)Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000128228031 138392479 /nfs/dbraw/zinc/39/24/79/138392479.db2.gz KWRQGLNCONNSEQ-MSOLQXFVSA-N 2 2 272.436 3.211 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1C ZINC000180127950 189238639 /nfs/dbraw/zinc/23/86/39/189238639.db2.gz WIFWYECQUXULCE-QGZVFWFLSA-N 2 2 287.382 3.304 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(F)cc1C ZINC000180127950 189238640 /nfs/dbraw/zinc/23/86/40/189238640.db2.gz WIFWYECQUXULCE-QGZVFWFLSA-N 2 2 287.382 3.304 10 0 CGAELP Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)o1 ZINC000049900496 369422562 /nfs/dbraw/zinc/42/25/62/369422562.db2.gz RCQNAXUGOTXTIH-ZIAGYGMSSA-N 2 2 250.386 3.113 10 0 CGAELP Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)o1 ZINC000049900496 369422569 /nfs/dbraw/zinc/42/25/69/369422569.db2.gz RCQNAXUGOTXTIH-ZIAGYGMSSA-N 2 2 250.386 3.113 10 0 CGAELP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000400362538 296149424 /nfs/dbraw/zinc/14/94/24/296149424.db2.gz QKTIBAGCYUHIPH-UHIISALHSA-N 2 2 297.240 3.240 10 0 CGAELP CCCc1cc(NC2CC[NH2+]CC2)nc(-c2ccccc2)[nH+]1 ZINC000070451684 369799122 /nfs/dbraw/zinc/79/91/22/369799122.db2.gz MJNSGQNVAGTHPZ-UHFFFAOYSA-N 2 2 296.418 3.260 10 0 CGAELP c1ccc2c(c1)cc[nH+]c2N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000168720878 372617499 /nfs/dbraw/zinc/61/74/99/372617499.db2.gz DQPVBIZROIGPSH-KRWDZBQOSA-N 2 2 281.403 3.203 10 0 CGAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCCc2ccccc21 ZINC000300410688 373626936 /nfs/dbraw/zinc/62/69/36/373626936.db2.gz JNVILYYJRGDACU-RDJZCZTQSA-N 2 2 258.409 3.138 10 0 CGAELP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCCc2ccccc21 ZINC000300410688 373626944 /nfs/dbraw/zinc/62/69/44/373626944.db2.gz JNVILYYJRGDACU-RDJZCZTQSA-N 2 2 258.409 3.138 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cc(C)sc2C)C1 ZINC000328289188 374363549 /nfs/dbraw/zinc/36/35/49/374363549.db2.gz UIACBGCHDINOGO-WCQYABFASA-N 2 2 252.427 3.110 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cc(C)sc2C)C1 ZINC000328289188 374363554 /nfs/dbraw/zinc/36/35/54/374363554.db2.gz UIACBGCHDINOGO-WCQYABFASA-N 2 2 252.427 3.110 10 0 CGAELP Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000188948877 375298816 /nfs/dbraw/zinc/29/88/16/375298816.db2.gz LPCYWVUMSOPJJJ-INIZCTEOSA-N 2 2 297.402 3.069 10 0 CGAELP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000247030097 377141394 /nfs/dbraw/zinc/14/13/94/377141394.db2.gz MEVXTBMZYWQADT-HLLBOEOZSA-N 2 2 260.425 3.374 10 0 CGAELP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000247030097 377141405 /nfs/dbraw/zinc/14/14/05/377141405.db2.gz MEVXTBMZYWQADT-HLLBOEOZSA-N 2 2 260.425 3.374 10 0 CGAELP CC1(C)CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000094321867 249040306 /nfs/dbraw/zinc/04/03/06/249040306.db2.gz YYFDUCBVSBPQNA-MSOLQXFVSA-N 2 2 286.463 3.472 10 0 CGAELP CC1(C)CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000094321867 249040308 /nfs/dbraw/zinc/04/03/08/249040308.db2.gz YYFDUCBVSBPQNA-MSOLQXFVSA-N 2 2 286.463 3.472 10 0 CGAELP Cn1c[nH+]c(CC[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)c1 ZINC000313253539 249089718 /nfs/dbraw/zinc/08/97/18/249089718.db2.gz NHORFNKANHCPEU-GJZGRUSLSA-N 2 2 263.429 3.157 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)c2ccc3c(c2)CCC3)C1 ZINC000250237509 377557403 /nfs/dbraw/zinc/55/74/03/377557403.db2.gz GXTWHXFSZHIVPV-KDOFPFPSSA-N 2 2 272.436 3.310 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)c2ccc3c(c2)CCC3)C1 ZINC000250237509 377557410 /nfs/dbraw/zinc/55/74/10/377557410.db2.gz GXTWHXFSZHIVPV-KDOFPFPSSA-N 2 2 272.436 3.310 10 0 CGAELP Clc1csc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000194482461 542276788 /nfs/dbraw/zinc/27/67/88/542276788.db2.gz XERDGBFGMGVWKW-LBPRGKRZSA-N 2 2 281.812 3.263 10 0 CGAELP C[N@@H+]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)C(C)(C)C1 ZINC000675075486 543313394 /nfs/dbraw/zinc/31/33/94/543313394.db2.gz PNEIEHNDWUEASO-CYBMUJFWSA-N 2 2 287.234 3.423 10 0 CGAELP C[N@H+]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)C(C)(C)C1 ZINC000675075486 543313397 /nfs/dbraw/zinc/31/33/97/543313397.db2.gz PNEIEHNDWUEASO-CYBMUJFWSA-N 2 2 287.234 3.423 10 0 CGAELP Cc1cccc(C[N@@H+](C)[C@H](C[NH3+])c2ccccc2C)c1 ZINC000020225433 171087998 /nfs/dbraw/zinc/08/79/98/171087998.db2.gz NFAHDDZVRVXLCS-GOSISDBHSA-N 2 2 268.404 3.435 10 0 CGAELP Cc1cccc(C[N@H+](C)[C@H](C[NH3+])c2ccccc2C)c1 ZINC000020225433 171088001 /nfs/dbraw/zinc/08/80/01/171088001.db2.gz NFAHDDZVRVXLCS-GOSISDBHSA-N 2 2 268.404 3.435 10 0 CGAELP CCc1ccc([C@@H](C[NH3+])[N@H+](C)CCc2ccccc2)cc1 ZINC000020225736 171090057 /nfs/dbraw/zinc/09/00/57/171090057.db2.gz MJVORCBLBQBNEP-LJQANCHMSA-N 2 2 282.431 3.423 10 0 CGAELP CCc1ccc([C@@H](C[NH3+])[N@@H+](C)CCc2ccccc2)cc1 ZINC000020225736 171090059 /nfs/dbraw/zinc/09/00/59/171090059.db2.gz MJVORCBLBQBNEP-LJQANCHMSA-N 2 2 282.431 3.423 10 0 CGAELP C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)[NH+]1CCCCCCC1 ZINC000020266191 171122804 /nfs/dbraw/zinc/12/28/04/171122804.db2.gz RGJQRXKDLHBJKK-PMPSAXMXSA-N 2 2 250.430 3.173 10 0 CGAELP CC[NH+](CC)CC[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000022042363 171350337 /nfs/dbraw/zinc/35/03/37/171350337.db2.gz GJANTPSJGSXSDO-INIZCTEOSA-N 2 2 260.425 3.038 10 0 CGAELP C[C@@H]1C[C@@H](C)C[NH+]([C@@H](C[NH3+])c2ccc(OC(F)F)cc2)C1 ZINC000022214443 171374965 /nfs/dbraw/zinc/37/49/65/171374965.db2.gz GORFXAKUQZSOHN-JMSVASOKSA-N 2 2 298.377 3.266 10 0 CGAELP CC(C)[N@H+](C)[C@@H](C[NH3+])c1ccccc1C(F)(F)F ZINC000022218063 171376423 /nfs/dbraw/zinc/37/64/23/171376423.db2.gz FUKYDALKEKYKSS-LBPRGKRZSA-N 2 2 260.303 3.045 10 0 CGAELP CC(C)[N@@H+](C)[C@@H](C[NH3+])c1ccccc1C(F)(F)F ZINC000022218063 171376424 /nfs/dbraw/zinc/37/64/24/171376424.db2.gz FUKYDALKEKYKSS-LBPRGKRZSA-N 2 2 260.303 3.045 10 0 CGAELP CC[N@H+]([C@@H](C[NH3+])c1ccccc1OC)C1CCCCC1 ZINC000022222077 171378981 /nfs/dbraw/zinc/37/89/81/171378981.db2.gz DGGBYEDOOBUVQM-INIZCTEOSA-N 2 2 276.424 3.350 10 0 CGAELP CC[N@@H+]([C@@H](C[NH3+])c1ccccc1OC)C1CCCCC1 ZINC000022222077 171378982 /nfs/dbraw/zinc/37/89/82/171378982.db2.gz DGGBYEDOOBUVQM-INIZCTEOSA-N 2 2 276.424 3.350 10 0 CGAELP [NH3+]Cc1ccc(Cn2cc[nH+]c2-c2ccccc2)cc1 ZINC000040228232 174208754 /nfs/dbraw/zinc/20/87/54/174208754.db2.gz LBXXNXOTRQENCU-UHFFFAOYSA-N 2 2 263.344 3.057 10 0 CGAELP c1[nH]cc(CC[NH2+]Cc2ccc(-c3ccccc3)cc2)[nH+]1 ZINC000045946297 175388002 /nfs/dbraw/zinc/38/80/02/175388002.db2.gz MZQRCHRUFZPMHT-UHFFFAOYSA-N 2 2 277.371 3.409 10 0 CGAELP c1[nH]c(CC[NH2+]Cc2ccc(-c3ccccc3)cc2)c[nH+]1 ZINC000045946297 175388003 /nfs/dbraw/zinc/38/80/03/175388003.db2.gz MZQRCHRUFZPMHT-UHFFFAOYSA-N 2 2 277.371 3.409 10 0 CGAELP CCC[N@H+]([C@@H](CC)c1cccs1)[C@@H]1CC[NH2+]C1 ZINC000071314974 176121525 /nfs/dbraw/zinc/12/15/25/176121525.db2.gz QKTLAXKUJHVIOI-OLZOCXBDSA-N 2 2 252.427 3.273 10 0 CGAELP CCC[N@@H+]([C@@H](CC)c1cccs1)[C@@H]1CC[NH2+]C1 ZINC000071314974 176121527 /nfs/dbraw/zinc/12/15/27/176121527.db2.gz QKTLAXKUJHVIOI-OLZOCXBDSA-N 2 2 252.427 3.273 10 0 CGAELP CC1(C)CC[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2[NH2+]1 ZINC000076697689 177061187 /nfs/dbraw/zinc/06/11/87/177061187.db2.gz KSWFKFDPBGLFIU-HOTGVXAUSA-N 2 2 258.409 3.039 10 0 CGAELP CC1(C)CC[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2[NH2+]1 ZINC000076697689 177061188 /nfs/dbraw/zinc/06/11/88/177061188.db2.gz KSWFKFDPBGLFIU-HOTGVXAUSA-N 2 2 258.409 3.039 10 0 CGAELP C[NH+](C)C[C@H]([NH2+][C@@H]1CCCSCC1)c1ccccc1 ZINC000657826795 419374796 /nfs/dbraw/zinc/37/47/96/419374796.db2.gz KWRCCJFFEZPVBZ-CVEARBPZSA-N 2 2 278.465 3.165 10 0 CGAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCCSCC1 ZINC000657941396 419455637 /nfs/dbraw/zinc/45/56/37/419455637.db2.gz VERLHVPGLAEYQH-DOTOQJQBSA-N 2 2 292.492 3.382 10 0 CGAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCCSCC1 ZINC000657941396 419455644 /nfs/dbraw/zinc/45/56/44/419455644.db2.gz VERLHVPGLAEYQH-DOTOQJQBSA-N 2 2 292.492 3.382 10 0 CGAELP CC[C@H]([NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000390743181 262250331 /nfs/dbraw/zinc/25/03/31/262250331.db2.gz NMPALEXQSYLGNU-YOEHRIQHSA-N 2 2 260.425 3.285 10 0 CGAELP CC[C@H]([NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000390743181 262250332 /nfs/dbraw/zinc/25/03/32/262250332.db2.gz NMPALEXQSYLGNU-YOEHRIQHSA-N 2 2 260.425 3.285 10 0 CGAELP Cc1cccc(C[NH2+][C@H](CC(C)C)C[NH+](C)C)c1C ZINC000043314154 270034382 /nfs/dbraw/zinc/03/43/82/270034382.db2.gz TUQBRJBOICOSOW-QGZVFWFLSA-N 2 2 262.441 3.369 10 0 CGAELP CC[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000192850434 270078089 /nfs/dbraw/zinc/07/80/89/270078089.db2.gz WZYKBMNWTTZRLT-TZMCWYRMSA-N 2 2 281.469 3.004 10 0 CGAELP CC[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000192850434 270078090 /nfs/dbraw/zinc/07/80/90/270078090.db2.gz WZYKBMNWTTZRLT-TZMCWYRMSA-N 2 2 281.469 3.004 10 0 CGAELP CC[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000192850434 270078091 /nfs/dbraw/zinc/07/80/91/270078091.db2.gz WZYKBMNWTTZRLT-TZMCWYRMSA-N 2 2 281.469 3.004 10 0 CGAELP CC[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000192850434 270078092 /nfs/dbraw/zinc/07/80/92/270078092.db2.gz WZYKBMNWTTZRLT-TZMCWYRMSA-N 2 2 281.469 3.004 10 0 CGAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000396574185 288014062 /nfs/dbraw/zinc/01/40/62/288014062.db2.gz MGXAJXAOWQAGDV-MISXGVKJSA-N 2 2 286.341 3.497 10 0 CGAELP CC[NH2+]C(C)(C)C[N@H+](Cc1cccs1)C(C)C ZINC000061299807 519908164 /nfs/dbraw/zinc/90/81/64/519908164.db2.gz KWBABKKAAWWNBQ-UHFFFAOYSA-N 2 2 254.443 3.347 10 0 CGAELP CC[NH2+]C(C)(C)C[N@@H+](Cc1cccs1)C(C)C ZINC000061299807 519908165 /nfs/dbraw/zinc/90/81/65/519908165.db2.gz KWBABKKAAWWNBQ-UHFFFAOYSA-N 2 2 254.443 3.347 10 0 CGAELP CCC[C@@H](c1cccs1)[N@@H+]1CC[C@H]([NH2+]CC)C1 ZINC000049545603 520811089 /nfs/dbraw/zinc/81/10/89/520811089.db2.gz OZAOMIIYLISMDQ-STQMWFEESA-N 2 2 252.427 3.273 10 0 CGAELP CCC[C@@H](c1cccs1)[N@H+]1CC[C@H]([NH2+]CC)C1 ZINC000049545603 520811098 /nfs/dbraw/zinc/81/10/98/520811098.db2.gz OZAOMIIYLISMDQ-STQMWFEESA-N 2 2 252.427 3.273 10 0 CGAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C(C1CC1)C1CC1 ZINC000157564378 524637020 /nfs/dbraw/zinc/63/70/20/524637020.db2.gz YVLIVBMEDSLOCG-KSSFIOAISA-N 2 2 299.462 3.070 10 0 CGAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C(C1CC1)C1CC1 ZINC000157564378 524637025 /nfs/dbraw/zinc/63/70/25/524637025.db2.gz YVLIVBMEDSLOCG-KSSFIOAISA-N 2 2 299.462 3.070 10 0 CGAELP C[C@@H]([NH3+])Cc1[nH+]ccn1Cc1c(Cl)cccc1Cl ZINC000062802762 525000828 /nfs/dbraw/zinc/00/08/28/525000828.db2.gz ZXKNCDRXLSJVCU-SECBINFHSA-N 2 2 284.190 3.128 10 0 CGAELP C[C@H]([C@H]([NH3+])c1ccccc1)[NH+]1Cc2ccccc2C1 ZINC000050911008 526031132 /nfs/dbraw/zinc/03/11/32/526031132.db2.gz HWEZKSGZIPKPRT-DYVFJYSZSA-N 2 2 252.361 3.091 10 0 CGAELP C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1[nH+]c(NN)ccc1Cl ZINC000061638473 526255625 /nfs/dbraw/zinc/25/56/25/526255625.db2.gz PVRTYWOOOCFLRK-GWCFXTLKSA-N 2 2 282.819 3.031 10 0 CGAELP C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1[nH+]c(NN)ccc1Cl ZINC000061638473 526255627 /nfs/dbraw/zinc/25/56/27/526255627.db2.gz PVRTYWOOOCFLRK-GWCFXTLKSA-N 2 2 282.819 3.031 10 0 CGAELP Cc1[nH+]c(C)n2c1[C@H](CCc1cccc(C)c1C)[NH2+]CC2 ZINC000114153437 345963871 /nfs/dbraw/zinc/96/38/71/345963871.db2.gz VDSALXVRLJDYAM-KRWDZBQOSA-N 2 2 283.419 3.394 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](c2ccccc2)C(C)C)C1 ZINC000389130504 346573017 /nfs/dbraw/zinc/57/30/17/346573017.db2.gz FBTYVOHNHLIFNU-IAGOWNOFSA-N 2 2 260.425 3.110 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](c2ccccc2)C(C)C)C1 ZINC000389130504 346573018 /nfs/dbraw/zinc/57/30/18/346573018.db2.gz FBTYVOHNHLIFNU-IAGOWNOFSA-N 2 2 260.425 3.110 10 0 CGAELP Fc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188419936 542249234 /nfs/dbraw/zinc/24/92/34/542249234.db2.gz KWALOMNKAQGXRO-CQSZACIVSA-N 2 2 293.773 3.340 10 0 CGAELP Fc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188419936 542249238 /nfs/dbraw/zinc/24/92/38/542249238.db2.gz KWALOMNKAQGXRO-CQSZACIVSA-N 2 2 293.773 3.340 10 0 CGAELP [NH3+]CC[N@@H+]1CCCCC[C@@H]1c1cnc2ccccc2c1 ZINC000616622991 348848977 /nfs/dbraw/zinc/84/89/77/348848977.db2.gz AZABIJZBNDGEDR-QGZVFWFLSA-N 2 2 269.392 3.111 10 0 CGAELP [NH3+]CC[N@H+]1CCCCC[C@@H]1c1cnc2ccccc2c1 ZINC000616622991 348848979 /nfs/dbraw/zinc/84/89/79/348848979.db2.gz AZABIJZBNDGEDR-QGZVFWFLSA-N 2 2 269.392 3.111 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000110585836 138363487 /nfs/dbraw/zinc/36/34/87/138363487.db2.gz GUACVRPRARBHRO-CQSZACIVSA-N 2 2 299.422 3.200 10 0 CGAELP CC[C@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)c1ccc(OC)cc1 ZINC000040502307 369157793 /nfs/dbraw/zinc/15/77/93/369157793.db2.gz XCAVGJKKFOQTTL-WBVHZDCISA-N 2 2 276.424 3.220 10 0 CGAELP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)c1ccc(OC)cc1 ZINC000040502307 369157798 /nfs/dbraw/zinc/15/77/98/369157798.db2.gz XCAVGJKKFOQTTL-WBVHZDCISA-N 2 2 276.424 3.220 10 0 CGAELP CCc1cc(N[C@@H]2CCC[NH2+]C2)nc(-c2ccc(C)cc2)[nH+]1 ZINC000070456419 369800797 /nfs/dbraw/zinc/80/07/97/369800797.db2.gz RSSSODVLWLRHKS-MRXNPFEDSA-N 2 2 296.418 3.178 10 0 CGAELP Cc1ccc(-c2nc(NC[C@H]3CCC[NH2+]C3)cc(C)[nH+]2)cc1 ZINC000070456200 369801118 /nfs/dbraw/zinc/80/11/18/369801118.db2.gz BIFYCXRMWBHDFP-HNNXBMFYSA-N 2 2 296.418 3.172 10 0 CGAELP Cc1ccsc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812766 370103306 /nfs/dbraw/zinc/10/33/06/370103306.db2.gz SUGCEZQNXKLSGU-AWEZNQCLSA-N 2 2 287.432 3.386 10 0 CGAELP Cc1ccsc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812766 370103310 /nfs/dbraw/zinc/10/33/10/370103310.db2.gz SUGCEZQNXKLSGU-AWEZNQCLSA-N 2 2 287.432 3.386 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000178331489 373766510 /nfs/dbraw/zinc/76/65/10/373766510.db2.gz QPJXMTLSPORTCE-IBGZPJMESA-N 2 2 295.430 3.345 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000178331489 373766515 /nfs/dbraw/zinc/76/65/15/373766515.db2.gz QPJXMTLSPORTCE-IBGZPJMESA-N 2 2 295.430 3.345 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2cccc(C(F)(F)F)c2)C1 ZINC000328343464 374362514 /nfs/dbraw/zinc/36/25/14/374362514.db2.gz LOBLDHKNOBPXAF-BXUZGUMPSA-N 2 2 286.341 3.450 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2cccc(C(F)(F)F)c2)C1 ZINC000328343464 374362522 /nfs/dbraw/zinc/36/25/22/374362522.db2.gz LOBLDHKNOBPXAF-BXUZGUMPSA-N 2 2 286.341 3.450 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(SC)cc2)C1 ZINC000328336784 374362638 /nfs/dbraw/zinc/36/26/38/374362638.db2.gz JLJSNAALLGLIAR-TZMCWYRMSA-N 2 2 264.438 3.153 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(SC)cc2)C1 ZINC000328336784 374362644 /nfs/dbraw/zinc/36/26/44/374362644.db2.gz JLJSNAALLGLIAR-TZMCWYRMSA-N 2 2 264.438 3.153 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(OC(F)F)c2)C1 ZINC000328393352 374365592 /nfs/dbraw/zinc/36/55/92/374365592.db2.gz YNJLTFFVSRVUCC-AAEUAGOBSA-N 2 2 284.350 3.033 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(OC(F)F)c2)C1 ZINC000328393352 374365602 /nfs/dbraw/zinc/36/56/02/374365602.db2.gz YNJLTFFVSRVUCC-AAEUAGOBSA-N 2 2 284.350 3.033 10 0 CGAELP C[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C[C@H]1n1cc[nH+]c1 ZINC000245589134 376862499 /nfs/dbraw/zinc/86/24/99/376862499.db2.gz KIVQVCHGPCXXAU-TZMCWYRMSA-N 2 2 290.798 3.015 10 0 CGAELP C[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C[C@H]1n1cc[nH+]c1 ZINC000245589134 376862501 /nfs/dbraw/zinc/86/25/01/376862501.db2.gz KIVQVCHGPCXXAU-TZMCWYRMSA-N 2 2 290.798 3.015 10 0 CGAELP CCC[C@@H](C)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000245867506 376923545 /nfs/dbraw/zinc/92/35/45/376923545.db2.gz QNUAYAXNEWNISL-CABCVRRESA-N 2 2 261.413 3.252 10 0 CGAELP CCC[C@@H](C)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000245867506 376923557 /nfs/dbraw/zinc/92/35/57/376923557.db2.gz QNUAYAXNEWNISL-CABCVRRESA-N 2 2 261.413 3.252 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3ccc(OC)cc32)C1 ZINC000252571894 377637816 /nfs/dbraw/zinc/63/78/16/377637816.db2.gz BZDUVMLRJOAQHH-QAPCUYQASA-N 2 2 288.435 3.147 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3ccc(OC)cc32)C1 ZINC000252571894 377637828 /nfs/dbraw/zinc/63/78/28/377637828.db2.gz BZDUVMLRJOAQHH-QAPCUYQASA-N 2 2 288.435 3.147 10 0 CGAELP C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000400344245 379948985 /nfs/dbraw/zinc/94/89/85/379948985.db2.gz JVMUQVUQWVMFFS-MISXGVKJSA-N 2 2 252.789 3.131 10 0 CGAELP c1ccc(NC2CCC(Nc3cccc[nH+]3)CC2)[nH+]c1 ZINC000407987040 379987462 /nfs/dbraw/zinc/98/74/62/379987462.db2.gz VEUYRMUGQQUUOF-UHFFFAOYSA-N 2 2 268.364 3.312 10 0 CGAELP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(Cl)s1 ZINC000070143221 165055404 /nfs/dbraw/zinc/05/54/04/165055404.db2.gz WRBBDLPNARPRIJ-VIFPVBQESA-N 2 2 298.843 3.052 10 0 CGAELP Cc1ccc(CC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000124321430 287231966 /nfs/dbraw/zinc/23/19/66/287231966.db2.gz WBAZXUMWYURCNY-GOSISDBHSA-N 2 2 295.430 3.367 10 0 CGAELP Cc1ccc(CC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000124321430 287231969 /nfs/dbraw/zinc/23/19/69/287231969.db2.gz WBAZXUMWYURCNY-GOSISDBHSA-N 2 2 295.430 3.367 10 0 CGAELP C[N@H+](CC(C)(C)C)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000020226032 171089974 /nfs/dbraw/zinc/08/99/74/171089974.db2.gz JHUMDIGHVDFUIW-ZDUSSCGKSA-N 2 2 254.805 3.318 10 0 CGAELP C[N@@H+](CC(C)(C)C)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000020226032 171089976 /nfs/dbraw/zinc/08/99/76/171089976.db2.gz JHUMDIGHVDFUIW-ZDUSSCGKSA-N 2 2 254.805 3.318 10 0 CGAELP CCOc1ccc([C@@H](C[NH3+])[N@H+](C)CC(C)(C)C)cc1 ZINC000020226254 171090892 /nfs/dbraw/zinc/09/08/92/171090892.db2.gz AEYKZLXGFXKDSB-OAHLLOKOSA-N 2 2 264.413 3.063 10 0 CGAELP CCOc1ccc([C@@H](C[NH3+])[N@@H+](C)CC(C)(C)C)cc1 ZINC000020226254 171090893 /nfs/dbraw/zinc/09/08/93/171090893.db2.gz AEYKZLXGFXKDSB-OAHLLOKOSA-N 2 2 264.413 3.063 10 0 CGAELP CCCOc1cccc([C@H](C[NH3+])[N@H+](C)CC(C)(C)C)c1 ZINC000020226621 171091162 /nfs/dbraw/zinc/09/11/62/171091162.db2.gz UAIJUHPTCKSNET-INIZCTEOSA-N 2 2 278.440 3.453 10 0 CGAELP CCCOc1cccc([C@H](C[NH3+])[N@@H+](C)CC(C)(C)C)c1 ZINC000020226621 171091163 /nfs/dbraw/zinc/09/11/63/171091163.db2.gz UAIJUHPTCKSNET-INIZCTEOSA-N 2 2 278.440 3.453 10 0 CGAELP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccccc1Cl)C2 ZINC000020523859 171236723 /nfs/dbraw/zinc/23/67/23/171236723.db2.gz IQUHQOIMXMFWBX-AGUYFDCRSA-N 2 2 264.800 3.055 10 0 CGAELP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccccc1Cl)C2 ZINC000020523859 171236724 /nfs/dbraw/zinc/23/67/24/171236724.db2.gz IQUHQOIMXMFWBX-AGUYFDCRSA-N 2 2 264.800 3.055 10 0 CGAELP CCCCCC[C@H](C[NH3+])[N@H+](C)Cc1ccc(C)o1 ZINC000035699507 172368269 /nfs/dbraw/zinc/36/82/69/172368269.db2.gz MQWPLCRTFGZOSL-CQSZACIVSA-N 2 2 252.402 3.318 10 0 CGAELP CCCCCC[C@H](C[NH3+])[N@@H+](C)Cc1ccc(C)o1 ZINC000035699507 172368273 /nfs/dbraw/zinc/36/82/73/172368273.db2.gz MQWPLCRTFGZOSL-CQSZACIVSA-N 2 2 252.402 3.318 10 0 CGAELP CC(C)[N@H+](CC1CC1)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000044415120 175173074 /nfs/dbraw/zinc/17/30/74/175173074.db2.gz YENWELGNUTZHSF-OAHLLOKOSA-N 2 2 266.816 3.460 10 0 CGAELP CC(C)[N@@H+](CC1CC1)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000044415120 175173075 /nfs/dbraw/zinc/17/30/75/175173075.db2.gz YENWELGNUTZHSF-OAHLLOKOSA-N 2 2 266.816 3.460 10 0 CGAELP C[NH2+]C[C@H]1CCC[N@@H+]1CCOc1ccc(C(C)C)c(C)c1 ZINC000128382315 287309508 /nfs/dbraw/zinc/30/95/08/287309508.db2.gz PYCDPFSHQHQAGJ-MRXNPFEDSA-N 2 2 290.451 3.181 10 0 CGAELP C[NH2+]C[C@H]1CCC[N@H+]1CCOc1ccc(C(C)C)c(C)c1 ZINC000128382315 287309509 /nfs/dbraw/zinc/30/95/09/287309509.db2.gz PYCDPFSHQHQAGJ-MRXNPFEDSA-N 2 2 290.451 3.181 10 0 CGAELP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC000071309369 176116894 /nfs/dbraw/zinc/11/68/94/176116894.db2.gz BHYMPEUCQRAOCA-ZWNOBZJWSA-N 2 2 272.314 3.060 10 0 CGAELP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC000071309369 176116895 /nfs/dbraw/zinc/11/68/95/176116895.db2.gz BHYMPEUCQRAOCA-ZWNOBZJWSA-N 2 2 272.314 3.060 10 0 CGAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)C(C)C)cc1C(C)C ZINC000076369739 177006591 /nfs/dbraw/zinc/00/65/91/177006591.db2.gz OXLUERZKYYWTOE-OAHLLOKOSA-N 2 2 264.413 3.159 10 0 CGAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)C(C)C)cc1C(C)C ZINC000076369739 177006592 /nfs/dbraw/zinc/00/65/92/177006592.db2.gz OXLUERZKYYWTOE-OAHLLOKOSA-N 2 2 264.413 3.159 10 0 CGAELP Cc1[nH+]cc(C[NH2+]C2CC(c3cccc(Cl)c3)C2)n1C ZINC000657376738 419264631 /nfs/dbraw/zinc/26/46/31/419264631.db2.gz NYZKUTGSGHROBA-UHFFFAOYSA-N 2 2 289.810 3.418 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC000249611976 276167854 /nfs/dbraw/zinc/16/78/54/276167854.db2.gz AMEBBBMCYQTRLY-WBVHZDCISA-N 2 2 258.409 3.138 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC000249611976 276167855 /nfs/dbraw/zinc/16/78/55/276167855.db2.gz AMEBBBMCYQTRLY-WBVHZDCISA-N 2 2 258.409 3.138 10 0 CGAELP CC[C@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)c1ccsc1 ZINC000382060560 336081268 /nfs/dbraw/zinc/08/12/68/336081268.db2.gz AODYNJRZTMJSLK-KGLIPLIRSA-N 2 2 252.427 3.273 10 0 CGAELP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)c1ccsc1 ZINC000382060560 336081269 /nfs/dbraw/zinc/08/12/69/336081269.db2.gz AODYNJRZTMJSLK-KGLIPLIRSA-N 2 2 252.427 3.273 10 0 CGAELP C[NH+](C)c1ccc(NCC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000052205575 522234971 /nfs/dbraw/zinc/23/49/71/522234971.db2.gz XDOGLWBNMLZVNA-INIZCTEOSA-N 2 2 261.413 3.039 10 0 CGAELP CC(C)[NH2+]C[C@@H](c1ccccc1)[N@H+](C)[C@@H](C)C1CC1 ZINC000052479310 519723033 /nfs/dbraw/zinc/72/30/33/519723033.db2.gz QQDIQZHUSHSLQG-YOEHRIQHSA-N 2 2 260.425 3.456 10 0 CGAELP CC(C)[NH2+]C[C@@H](c1ccccc1)[N@@H+](C)[C@@H](C)C1CC1 ZINC000052479310 519723036 /nfs/dbraw/zinc/72/30/36/519723036.db2.gz QQDIQZHUSHSLQG-YOEHRIQHSA-N 2 2 260.425 3.456 10 0 CGAELP CC[C@H](C[NH2+]C1CC1)n1c[nH+]c2cc(C)c(C)cc21 ZINC000052575756 522195421 /nfs/dbraw/zinc/19/54/21/522195421.db2.gz XDCKVAQSFMIBGG-CQSZACIVSA-N 2 2 257.381 3.356 10 0 CGAELP C[NH+](C)c1ccc(NCC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000052205575 522234964 /nfs/dbraw/zinc/23/49/64/522234964.db2.gz XDOGLWBNMLZVNA-INIZCTEOSA-N 2 2 261.413 3.039 10 0 CGAELP c1cn([C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000616627921 348851705 /nfs/dbraw/zinc/85/17/05/348851705.db2.gz HEHFPTMAXMHBFA-INIZCTEOSA-N 2 2 255.365 3.110 10 0 CGAELP c1cn([C@H]2CCCC[N@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000616627921 348851708 /nfs/dbraw/zinc/85/17/08/348851708.db2.gz HEHFPTMAXMHBFA-INIZCTEOSA-N 2 2 255.365 3.110 10 0 CGAELP COc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000120932509 370814898 /nfs/dbraw/zinc/81/48/98/370814898.db2.gz AFCVTYGGBJFUDY-ZQIUZPCESA-N 2 2 276.424 3.075 10 0 CGAELP COc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000120932509 370814903 /nfs/dbraw/zinc/81/49/03/370814903.db2.gz AFCVTYGGBJFUDY-ZQIUZPCESA-N 2 2 276.424 3.075 10 0 CGAELP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000036773898 369027276 /nfs/dbraw/zinc/02/72/76/369027276.db2.gz MBARXTBRODKJEF-OWCLPIDISA-N 2 2 263.429 3.324 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC000040501971 369156935 /nfs/dbraw/zinc/15/69/35/369156935.db2.gz NKERQMZHMCGZRX-GOSISDBHSA-N 2 2 268.404 3.414 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC000040501971 369156937 /nfs/dbraw/zinc/15/69/37/369156937.db2.gz NKERQMZHMCGZRX-GOSISDBHSA-N 2 2 268.404 3.414 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CCc2ccc(OC)cc2)C1 ZINC000040502759 369157596 /nfs/dbraw/zinc/15/75/96/369157596.db2.gz FFZWRINQBMBEOM-RDJZCZTQSA-N 2 2 290.451 3.090 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)CCc2ccc(OC)cc2)C1 ZINC000040502759 369157601 /nfs/dbraw/zinc/15/76/01/369157601.db2.gz FFZWRINQBMBEOM-RDJZCZTQSA-N 2 2 290.451 3.090 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc(C)cc(C)c1 ZINC000178290399 373762587 /nfs/dbraw/zinc/76/25/87/373762587.db2.gz MUJUFVJFPQAKFL-SFHVURJKSA-N 2 2 283.419 3.473 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc(C)cc(C)c1 ZINC000178290399 373762596 /nfs/dbraw/zinc/76/25/96/373762596.db2.gz MUJUFVJFPQAKFL-SFHVURJKSA-N 2 2 283.419 3.473 10 0 CGAELP c1coc([C@@H]2CCC[N@H+]2Cc2cccc3[nH+]ccn32)c1 ZINC000180193278 373975959 /nfs/dbraw/zinc/97/59/59/373975959.db2.gz NNCPQVBCNLRDGA-AWEZNQCLSA-N 2 2 267.332 3.264 10 0 CGAELP c1coc([C@@H]2CCC[N@@H+]2Cc2cccc3[nH+]ccn32)c1 ZINC000180193278 373975965 /nfs/dbraw/zinc/97/59/65/373975965.db2.gz NNCPQVBCNLRDGA-AWEZNQCLSA-N 2 2 267.332 3.264 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC000094357786 541986830 /nfs/dbraw/zinc/98/68/30/541986830.db2.gz UNEULBLSNNKXAL-MRXNPFEDSA-N 2 2 258.409 3.138 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC000094357786 541986836 /nfs/dbraw/zinc/98/68/36/541986836.db2.gz UNEULBLSNNKXAL-MRXNPFEDSA-N 2 2 258.409 3.138 10 0 CGAELP CCOc1ccccc1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245723320 376890326 /nfs/dbraw/zinc/89/03/26/376890326.db2.gz UYSBXJLXHLOQHZ-WBVHZDCISA-N 2 2 299.418 3.365 10 0 CGAELP CCOc1ccccc1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245723320 376890333 /nfs/dbraw/zinc/89/03/33/376890333.db2.gz UYSBXJLXHLOQHZ-WBVHZDCISA-N 2 2 299.418 3.365 10 0 CGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3sccc3Cl)CC[C@H]21 ZINC000248823838 377406510 /nfs/dbraw/zinc/40/65/10/377406510.db2.gz YYXRLBUWWNKPRG-DGCLKSJQSA-N 2 2 284.856 3.318 10 0 CGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3sccc3Cl)CC[C@H]21 ZINC000248823838 377406511 /nfs/dbraw/zinc/40/65/11/377406511.db2.gz YYXRLBUWWNKPRG-DGCLKSJQSA-N 2 2 284.856 3.318 10 0 CGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3sccc3Cl)CC[C@H]21 ZINC000248823838 377406516 /nfs/dbraw/zinc/40/65/16/377406516.db2.gz YYXRLBUWWNKPRG-DGCLKSJQSA-N 2 2 284.856 3.318 10 0 CGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3sccc3Cl)CC[C@H]21 ZINC000248823838 377406523 /nfs/dbraw/zinc/40/65/23/377406523.db2.gz YYXRLBUWWNKPRG-DGCLKSJQSA-N 2 2 284.856 3.318 10 0 CGAELP Cc1n[nH]cc1[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180671453 542212821 /nfs/dbraw/zinc/21/28/21/542212821.db2.gz JJXIYASQWIPBTR-CHWSQXEVSA-N 2 2 295.390 3.316 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C)c3ccccc32)C1 ZINC000389475485 379898262 /nfs/dbraw/zinc/89/82/62/379898262.db2.gz WBYSTZSBBUXULZ-ZQIUZPCESA-N 2 2 258.409 3.309 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C)c3ccccc32)C1 ZINC000389475485 379898269 /nfs/dbraw/zinc/89/82/69/379898269.db2.gz WBYSTZSBBUXULZ-ZQIUZPCESA-N 2 2 258.409 3.309 10 0 CGAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000246250796 542326318 /nfs/dbraw/zinc/32/63/18/542326318.db2.gz PLNFAYIFJAFDPG-OAUYIBNBSA-N 2 2 276.399 3.131 10 0 CGAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000246250796 542326323 /nfs/dbraw/zinc/32/63/23/542326323.db2.gz PLNFAYIFJAFDPG-OAUYIBNBSA-N 2 2 276.399 3.131 10 0 CGAELP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189915716 130038214 /nfs/dbraw/zinc/03/82/14/130038214.db2.gz AFJHEPOEUBLEAM-RDJZCZTQSA-N 3 2 298.434 3.007 10 0 CGAELP COc1ccc([C@H](C[NH3+])[N@H+](C)CC2CCCCC2)cc1 ZINC000020225885 171089752 /nfs/dbraw/zinc/08/97/52/171089752.db2.gz GWGICVBMVXNIHQ-KRWDZBQOSA-N 2 2 276.424 3.207 10 0 CGAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)CC2CCCCC2)cc1 ZINC000020225885 171089754 /nfs/dbraw/zinc/08/97/54/171089754.db2.gz GWGICVBMVXNIHQ-KRWDZBQOSA-N 2 2 276.424 3.207 10 0 CGAELP CC(C)C[C@](C)(C[NH3+])[N@H+](C)Cc1cccc(F)c1 ZINC000020266492 171123369 /nfs/dbraw/zinc/12/33/69/171123369.db2.gz PPKWUZCUMIITDX-OAHLLOKOSA-N 2 2 252.377 3.021 10 0 CGAELP CC(C)C[C@](C)(C[NH3+])[N@@H+](C)Cc1cccc(F)c1 ZINC000020266492 171123372 /nfs/dbraw/zinc/12/33/72/171123372.db2.gz PPKWUZCUMIITDX-OAHLLOKOSA-N 2 2 252.377 3.021 10 0 CGAELP CC1CC[NH+]([C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])CC1 ZINC000021805090 171327157 /nfs/dbraw/zinc/32/71/57/171327157.db2.gz ANKYCEOCRDQYOH-SOUVJXGZSA-N 2 2 252.446 3.260 10 0 CGAELP C[C@@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000022165411 171365523 /nfs/dbraw/zinc/36/55/23/171365523.db2.gz KPHHBITVXITFLF-RISCZKNCSA-N 2 2 252.789 3.214 10 0 CGAELP C[C@@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000022165411 171365524 /nfs/dbraw/zinc/36/55/24/171365524.db2.gz KPHHBITVXITFLF-RISCZKNCSA-N 2 2 252.789 3.214 10 0 CGAELP CC(C)[N@H+](C)[C@H](C[NH3+])c1ccccc1C(F)(F)F ZINC000022218066 171376162 /nfs/dbraw/zinc/37/61/62/171376162.db2.gz FUKYDALKEKYKSS-GFCCVEGCSA-N 2 2 260.303 3.045 10 0 CGAELP CC(C)[N@@H+](C)[C@H](C[NH3+])c1ccccc1C(F)(F)F ZINC000022218066 171376163 /nfs/dbraw/zinc/37/61/63/171376163.db2.gz FUKYDALKEKYKSS-GFCCVEGCSA-N 2 2 260.303 3.045 10 0 CGAELP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035275414 172094947 /nfs/dbraw/zinc/09/49/47/172094947.db2.gz IYQBQOGECHHNQA-CAOSSQGBSA-N 2 2 261.413 3.220 10 0 CGAELP C[C@@H]1CCC[C@](C[NH3+])([N@H+](C)Cc2ccsc2)C1 ZINC000035719093 172372932 /nfs/dbraw/zinc/37/29/32/172372932.db2.gz QSWALIJOQCYCQK-OCCSQVGLSA-N 2 2 252.427 3.088 10 0 CGAELP C[C@@H]1CCC[C@](C[NH3+])([N@@H+](C)Cc2ccsc2)C1 ZINC000035719093 172372933 /nfs/dbraw/zinc/37/29/33/172372933.db2.gz QSWALIJOQCYCQK-OCCSQVGLSA-N 2 2 252.427 3.088 10 0 CGAELP [NH3+]CCCCCCc1[nH+]c2ccccc2n1C1CC1 ZINC000036896025 172787905 /nfs/dbraw/zinc/78/79/05/172787905.db2.gz LSEZKTVUPRFZGX-UHFFFAOYSA-N 2 2 257.381 3.433 10 0 CGAELP Cc1ccc([C@@H](C[NH3+])[NH+]2CCCCCCC2)s1 ZINC000036906771 172795478 /nfs/dbraw/zinc/79/54/78/172795478.db2.gz TYRQEBPIOZPRML-CYBMUJFWSA-N 2 2 252.427 3.322 10 0 CGAELP Cc1cc[nH+]c(NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC000043561586 175066416 /nfs/dbraw/zinc/06/64/16/175066416.db2.gz UZIBPNKGUZAJFO-HOCLYGCPSA-N 2 2 261.413 3.312 10 0 CGAELP Cc1cc[nH+]cc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000071413102 176158742 /nfs/dbraw/zinc/15/87/42/176158742.db2.gz BLNJCXZJWVUTFZ-UHFFFAOYSA-N 2 2 281.403 3.467 10 0 CGAELP CC(C)CCC[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671514 270029689 /nfs/dbraw/zinc/02/96/89/270029689.db2.gz SKSDWGYJHHTCGR-GOSISDBHSA-N 2 2 274.452 3.329 10 0 CGAELP CC(C)CCC[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671514 270029690 /nfs/dbraw/zinc/02/96/90/270029690.db2.gz SKSDWGYJHHTCGR-GOSISDBHSA-N 2 2 274.452 3.329 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC000249611974 276179200 /nfs/dbraw/zinc/17/92/00/276179200.db2.gz AMEBBBMCYQTRLY-RDJZCZTQSA-N 2 2 258.409 3.138 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC000249611974 276179201 /nfs/dbraw/zinc/17/92/01/276179201.db2.gz AMEBBBMCYQTRLY-RDJZCZTQSA-N 2 2 258.409 3.138 10 0 CGAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1cccc(OC(F)F)c1 ZINC000396543448 288013730 /nfs/dbraw/zinc/01/37/30/288013730.db2.gz BGTVIFBFUHMJDV-MJVIPROJSA-N 2 2 284.350 3.079 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000040502389 279322947 /nfs/dbraw/zinc/32/29/47/279322947.db2.gz DPOQBGXPPCYBSB-SOUVJXGZSA-N 2 2 252.446 3.275 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000040502389 279322948 /nfs/dbraw/zinc/32/29/48/279322948.db2.gz DPOQBGXPPCYBSB-SOUVJXGZSA-N 2 2 252.446 3.275 10 0 CGAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H](C)CC(C)C ZINC000054601963 519909873 /nfs/dbraw/zinc/90/98/73/519909873.db2.gz AICHMNHWYSEBCX-HNSVSWJLSA-N 2 2 252.446 3.416 10 0 CGAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H](C)CC(C)C ZINC000054601963 519909879 /nfs/dbraw/zinc/90/98/79/519909879.db2.gz AICHMNHWYSEBCX-HNSVSWJLSA-N 2 2 252.446 3.416 10 0 CGAELP CC(C)C[C@@H]1C[N@@H+]([C@@H]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000062624674 519272036 /nfs/dbraw/zinc/27/20/36/519272036.db2.gz XYPJHJJRIQFTSJ-BZUAXINKSA-N 2 2 252.446 3.275 10 0 CGAELP CC(C)C[C@@H]1C[N@H+]([C@@H]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000062624674 519272043 /nfs/dbraw/zinc/27/20/43/519272043.db2.gz XYPJHJJRIQFTSJ-BZUAXINKSA-N 2 2 252.446 3.275 10 0 CGAELP CCC[NH2+]C[C@@H](CC)[N@H+](Cc1ccsc1)C1CC1 ZINC000052541957 519921183 /nfs/dbraw/zinc/92/11/83/519921183.db2.gz ADEDDALNEAFQPK-CQSZACIVSA-N 2 2 266.454 3.491 10 0 CGAELP CCC[NH2+]C[C@@H](CC)[N@@H+](Cc1ccsc1)C1CC1 ZINC000052541957 519921188 /nfs/dbraw/zinc/92/11/88/519921188.db2.gz ADEDDALNEAFQPK-CQSZACIVSA-N 2 2 266.454 3.491 10 0 CGAELP CCC(CC)(C[NH3+])Cc1[nH+]cc(C)c(OC)c1C ZINC000054636521 521426513 /nfs/dbraw/zinc/42/65/13/521426513.db2.gz DGFFJXMIAXPQSP-UHFFFAOYSA-N 2 2 250.386 3.015 10 0 CGAELP C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1cccc(-n2cc[nH+]c2)c1 ZINC000902812288 621461950 /nfs/dbraw/zinc/46/19/50/621461950.db2.gz RFDPRGXBQAVKMB-ZVZYQTTQSA-N 2 2 299.418 3.074 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000094370399 640794401 /nfs/dbraw/zinc/79/44/01/640794401.db2.gz FRGVYLLJEPTUKH-DLBZAZTESA-N 2 2 296.499 3.434 10 0 CGAELP CC1(C)C[C@@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc2O1 ZINC000082504923 178069057 /nfs/dbraw/zinc/06/90/57/178069057.db2.gz VDHLSCBKSDFEJD-OAHLLOKOSA-N 2 2 285.391 3.165 10 0 CGAELP Cc1cc2ccccc2[nH+]c1N1CCC(CC[NH3+])CC1 ZINC000063106757 345243144 /nfs/dbraw/zinc/24/31/44/345243144.db2.gz ZKUIQBWGDYJMOW-UHFFFAOYSA-N 2 2 269.392 3.108 10 0 CGAELP Cc1[nH+]c(C)n2c1[C@@H](CCc1cccc(C)c1C)[NH2+]CC2 ZINC000114153434 345963812 /nfs/dbraw/zinc/96/38/12/345963812.db2.gz VDSALXVRLJDYAM-QGZVFWFLSA-N 2 2 283.419 3.394 10 0 CGAELP c1cc2c(cccc2C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)[nH]1 ZINC000188406990 542248272 /nfs/dbraw/zinc/24/82/72/542248272.db2.gz IJKLBINBCIHEOL-HNNXBMFYSA-N 2 2 280.375 3.029 10 0 CGAELP c1cc2c(cccc2C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)[nH]1 ZINC000188406990 542248274 /nfs/dbraw/zinc/24/82/74/542248274.db2.gz IJKLBINBCIHEOL-HNNXBMFYSA-N 2 2 280.375 3.029 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2)C(C)C)C1 ZINC000389130503 346573030 /nfs/dbraw/zinc/57/30/30/346573030.db2.gz FBTYVOHNHLIFNU-DLBZAZTESA-N 2 2 260.425 3.110 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2)C(C)C)C1 ZINC000389130503 346573031 /nfs/dbraw/zinc/57/30/31/346573031.db2.gz FBTYVOHNHLIFNU-DLBZAZTESA-N 2 2 260.425 3.110 10 0 CGAELP c1[nH]cc([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)[nH+]1 ZINC000616611388 348845911 /nfs/dbraw/zinc/84/59/11/348845911.db2.gz PNRDFHINPVBRDM-OAHLLOKOSA-N 2 2 255.365 3.179 10 0 CGAELP c1[nH]cc([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)[nH+]1 ZINC000616611388 348845912 /nfs/dbraw/zinc/84/59/12/348845912.db2.gz PNRDFHINPVBRDM-OAHLLOKOSA-N 2 2 255.365 3.179 10 0 CGAELP c1cn([C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000616652828 348857197 /nfs/dbraw/zinc/85/71/97/348857197.db2.gz HEHFPTMAXMHBFA-MRXNPFEDSA-N 2 2 255.365 3.110 10 0 CGAELP c1cn([C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000616652828 348857199 /nfs/dbraw/zinc/85/71/99/348857199.db2.gz HEHFPTMAXMHBFA-MRXNPFEDSA-N 2 2 255.365 3.110 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C/C=C/c1ccccc1 ZINC000178333866 189108123 /nfs/dbraw/zinc/10/81/23/189108123.db2.gz BTJZUZGOBWFCRL-YXOJNZSOSA-N 2 2 281.403 3.369 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C/C=C/c1ccccc1 ZINC000178333866 189108124 /nfs/dbraw/zinc/10/81/24/189108124.db2.gz BTJZUZGOBWFCRL-YXOJNZSOSA-N 2 2 281.403 3.369 10 0 CGAELP Cc1nc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)oc1C ZINC000180649614 189267957 /nfs/dbraw/zinc/26/79/57/189267957.db2.gz MOAHONCJNGSOBW-ZDUSSCGKSA-N 2 2 296.374 3.328 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000040502690 369157508 /nfs/dbraw/zinc/15/75/08/369157508.db2.gz HTNXYDURSCBEJX-ARWYELJZSA-N 2 2 276.399 3.146 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000040502690 369157516 /nfs/dbraw/zinc/15/75/16/369157516.db2.gz HTNXYDURSCBEJX-ARWYELJZSA-N 2 2 276.399 3.146 10 0 CGAELP Clc1cccc(Cl)c1C[NH2+]CCc1c[nH+]c[nH]1 ZINC000045946228 369288919 /nfs/dbraw/zinc/28/89/19/369288919.db2.gz VGPUVONVZUNBKG-UHFFFAOYSA-N 2 2 270.163 3.049 10 0 CGAELP Clc1cccc(Cl)c1C[NH2+]CCc1c[nH]c[nH+]1 ZINC000045946228 369288923 /nfs/dbraw/zinc/28/89/23/369288923.db2.gz VGPUVONVZUNBKG-UHFFFAOYSA-N 2 2 270.163 3.049 10 0 CGAELP CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000300413666 373631206 /nfs/dbraw/zinc/63/12/06/373631206.db2.gz FLNRJJGHQITCMB-FGTMMUONSA-N 2 2 272.436 3.429 10 0 CGAELP CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000300413666 373631209 /nfs/dbraw/zinc/63/12/09/373631209.db2.gz FLNRJJGHQITCMB-FGTMMUONSA-N 2 2 272.436 3.429 10 0 CGAELP CC(C)OC1CC([NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000189541768 375407416 /nfs/dbraw/zinc/40/74/16/375407416.db2.gz FGXJLCJXGPQHIN-NXVRBGIVSA-N 2 2 299.418 3.479 10 0 CGAELP CC(C)[NH2+]CC[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000191563411 375640165 /nfs/dbraw/zinc/64/01/65/375640165.db2.gz JBUKALCWYDNVRX-AWEZNQCLSA-N 2 2 287.407 3.005 10 0 CGAELP CC(C)[NH2+]CC[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000191563411 375640169 /nfs/dbraw/zinc/64/01/69/375640169.db2.gz JBUKALCWYDNVRX-AWEZNQCLSA-N 2 2 287.407 3.005 10 0 CGAELP C[C@H](CC1CCC1)[NH2+][C@@H](C[NH+](C)C)c1ccccc1 ZINC000128697680 542053781 /nfs/dbraw/zinc/05/37/81/542053781.db2.gz WRGMIFHPIFERPA-PBHICJAKSA-N 2 2 260.425 3.458 10 0 CGAELP C[C@@H]1CC[N@H+](C/C=C/c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000246210528 376989133 /nfs/dbraw/zinc/98/91/33/376989133.db2.gz CDVOCHONSIQQIE-ODEKCMFZSA-N 2 2 281.403 3.479 10 0 CGAELP C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000246210528 376989141 /nfs/dbraw/zinc/98/91/41/376989141.db2.gz CDVOCHONSIQQIE-ODEKCMFZSA-N 2 2 281.403 3.479 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000248567742 377350219 /nfs/dbraw/zinc/35/02/19/377350219.db2.gz JWLWWLSANYDHQA-HUUCEWRRSA-N 2 2 291.439 3.040 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000248567742 377350227 /nfs/dbraw/zinc/35/02/27/377350227.db2.gz JWLWWLSANYDHQA-HUUCEWRRSA-N 2 2 291.439 3.040 10 0 CGAELP C/C(=C\c1ccccc1)C[NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000249297980 377489055 /nfs/dbraw/zinc/48/90/55/377489055.db2.gz RMHJHAVCZDBIQM-XPQPCJHHSA-N 2 2 272.436 3.408 10 0 CGAELP C/C(=C\c1ccccc1)C[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000249297980 377489066 /nfs/dbraw/zinc/48/90/66/377489066.db2.gz RMHJHAVCZDBIQM-XPQPCJHHSA-N 2 2 272.436 3.408 10 0 CGAELP CC1(C)CCC[C@@H]1[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000094321869 249040204 /nfs/dbraw/zinc/04/02/04/249040204.db2.gz YYFDUCBVSBPQNA-ROUUACIJSA-N 2 2 286.463 3.472 10 0 CGAELP CC1(C)CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000094321869 249040206 /nfs/dbraw/zinc/04/02/06/249040206.db2.gz YYFDUCBVSBPQNA-ROUUACIJSA-N 2 2 286.463 3.472 10 0 CGAELP C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C[NH+](C)C)c1ccccc1 ZINC000252087427 377612853 /nfs/dbraw/zinc/61/28/53/377612853.db2.gz DAUSYHNBGKSOOU-HYVNUMGLSA-N 2 2 260.425 3.458 10 0 CGAELP Cc1[nH+]cc(C[NH2+][C@H]2CC[C@@H](C)c3ccccc32)n1C ZINC000579026095 378124251 /nfs/dbraw/zinc/12/42/51/378124251.db2.gz SARUPZSMWPNQAD-PXAZEXFGSA-N 2 2 269.392 3.457 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000192717105 542269169 /nfs/dbraw/zinc/26/91/69/542269169.db2.gz MHWQGPODWNCENU-WMLDXEAASA-N 2 2 273.424 3.007 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000192717105 542269171 /nfs/dbraw/zinc/26/91/71/542269171.db2.gz MHWQGPODWNCENU-WMLDXEAASA-N 2 2 273.424 3.007 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccccc2C(F)(F)F)C1 ZINC000389417040 379898546 /nfs/dbraw/zinc/89/85/46/379898546.db2.gz UKGOOQTZNLPYCH-VXGBXAGGSA-N 2 2 286.341 3.450 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccccc2C(F)(F)F)C1 ZINC000389417040 379898555 /nfs/dbraw/zinc/89/85/55/379898555.db2.gz UKGOOQTZNLPYCH-VXGBXAGGSA-N 2 2 286.341 3.450 10 0 CGAELP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000249065022 542338664 /nfs/dbraw/zinc/33/86/64/542338664.db2.gz IPKLERFKJRUDAA-YESZJQIVSA-N 2 2 273.424 3.340 10 0 CGAELP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000249065022 542338667 /nfs/dbraw/zinc/33/86/67/542338667.db2.gz IPKLERFKJRUDAA-YESZJQIVSA-N 2 2 273.424 3.340 10 0 CGAELP [NH3+]CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCCC1(F)F ZINC000381601352 392911294 /nfs/dbraw/zinc/91/12/94/392911294.db2.gz GKCKRLKSGNXTCL-HNNXBMFYSA-N 2 2 282.378 3.273 10 0 CGAELP [NH3+]CC[N@H+](Cc1ccccc1)C[C@@H]1CCCCC1(F)F ZINC000381601352 392911299 /nfs/dbraw/zinc/91/12/99/392911299.db2.gz GKCKRLKSGNXTCL-HNNXBMFYSA-N 2 2 282.378 3.273 10 0 CGAELP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000674877482 543302361 /nfs/dbraw/zinc/30/23/61/543302361.db2.gz UNCPGUSPZHVKMN-KEYYUXOJSA-N 2 2 260.425 3.411 10 0 CGAELP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000674877482 543302363 /nfs/dbraw/zinc/30/23/63/543302363.db2.gz UNCPGUSPZHVKMN-KEYYUXOJSA-N 2 2 260.425 3.411 10 0 CGAELP COc1cccc([C@H](C[NH3+])[N@H+](C)CC2CCCCC2)c1 ZINC000020225835 171089847 /nfs/dbraw/zinc/08/98/47/171089847.db2.gz KRLVCGDCMPZPDT-KRWDZBQOSA-N 2 2 276.424 3.207 10 0 CGAELP COc1cccc([C@H](C[NH3+])[N@@H+](C)CC2CCCCC2)c1 ZINC000020225835 171089851 /nfs/dbraw/zinc/08/98/51/171089851.db2.gz KRLVCGDCMPZPDT-KRWDZBQOSA-N 2 2 276.424 3.207 10 0 CGAELP [NH3+]C[C@H](c1cccc2ccccc21)[NH+]1CCCCC1 ZINC000022176040 171370341 /nfs/dbraw/zinc/37/03/41/171370341.db2.gz BOKXVFGVLFRDLM-QGZVFWFLSA-N 2 2 254.377 3.326 10 0 CGAELP C[C@@H]1C[C@H](C)C[N@H+]([C@@H](C[NH3+])c2ccc(OC(F)F)cc2)C1 ZINC000022214446 171375019 /nfs/dbraw/zinc/37/50/19/171375019.db2.gz GORFXAKUQZSOHN-ZOWXZIJZSA-N 2 2 298.377 3.266 10 0 CGAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H](C[NH3+])c2ccc(OC(F)F)cc2)C1 ZINC000022214446 171375020 /nfs/dbraw/zinc/37/50/20/171375020.db2.gz GORFXAKUQZSOHN-ZOWXZIJZSA-N 2 2 298.377 3.266 10 0 CGAELP C[C@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000022223390 171379034 /nfs/dbraw/zinc/37/90/34/171379034.db2.gz HDZPMIDOIIXGMA-FZMZJTMJSA-N 2 2 252.789 3.214 10 0 CGAELP C[C@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000022223390 171379036 /nfs/dbraw/zinc/37/90/36/171379036.db2.gz HDZPMIDOIIXGMA-FZMZJTMJSA-N 2 2 252.789 3.214 10 0 CGAELP CCC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1F ZINC000035586494 172285761 /nfs/dbraw/zinc/28/57/61/172285761.db2.gz ANGGTMREPLJSFZ-ZDUSSCGKSA-N 2 2 281.762 3.486 10 0 CGAELP CCCCc1ccc(-c2[nH+]c(C)[nH]c2CC[NH3+])cc1 ZINC000071582889 176207940 /nfs/dbraw/zinc/20/79/40/176207940.db2.gz ZMRUACVDLMIOFC-UHFFFAOYSA-N 2 2 257.381 3.229 10 0 CGAELP Cc1ccc(C[NH2+][C@H](CC(C)C)C[NH+](C)C)c(C)c1 ZINC000037166649 270028883 /nfs/dbraw/zinc/02/88/83/270028883.db2.gz BMUPEBVSDISKFQ-QGZVFWFLSA-N 2 2 262.441 3.369 10 0 CGAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1cccc(OC(F)F)c1 ZINC000396543440 288013638 /nfs/dbraw/zinc/01/36/38/288013638.db2.gz BGTVIFBFUHMJDV-COPLHBTASA-N 2 2 284.350 3.079 10 0 CGAELP CSc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000396714397 288015786 /nfs/dbraw/zinc/01/57/86/288015786.db2.gz QSDAXUNBZJHBJM-SLEUVZQESA-N 2 2 264.438 3.200 10 0 CGAELP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000247170982 278511018 /nfs/dbraw/zinc/51/10/18/278511018.db2.gz UQMLDOAGFWZYJM-FOLVSLTJSA-N 2 2 284.407 3.182 10 0 CGAELP CC(C)[NH2+]C[C@H](C)C[N@H+](C)Cc1ccccc1Cl ZINC000052371920 519724339 /nfs/dbraw/zinc/72/43/39/519724339.db2.gz IPFPRUOHBYKPSC-ZDUSSCGKSA-N 2 2 268.832 3.406 10 0 CGAELP CC(C)[NH2+]C[C@H](C)C[N@@H+](C)Cc1ccccc1Cl ZINC000052371920 519724341 /nfs/dbraw/zinc/72/43/41/519724341.db2.gz IPFPRUOHBYKPSC-ZDUSSCGKSA-N 2 2 268.832 3.406 10 0 CGAELP CCC[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1F ZINC000052541495 519918943 /nfs/dbraw/zinc/91/89/43/519918943.db2.gz SBUBIWAWLKWVNV-CYBMUJFWSA-N 2 2 252.377 3.036 10 0 CGAELP CCC[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1F ZINC000052541495 519918946 /nfs/dbraw/zinc/91/89/46/519918946.db2.gz SBUBIWAWLKWVNV-CYBMUJFWSA-N 2 2 252.377 3.036 10 0 CGAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[NH+]1CCC(C)(C)CC1 ZINC000061818562 522340533 /nfs/dbraw/zinc/34/05/33/522340533.db2.gz VCCLPTCIKURJJT-ZFWWWQNUSA-N 2 2 264.413 3.488 10 0 CGAELP CCCC1CC[NH+]([C@H]2CCCC[C@H]2[NH2+]CC)CC1 ZINC000050893599 519903304 /nfs/dbraw/zinc/90/33/04/519903304.db2.gz DGLZLMZJPVJKBR-CVEARBPZSA-N 2 2 252.446 3.419 10 0 CGAELP CCCC1CC[NH+]([C@H]2CCCC[C@@H]2[NH2+]CC)CC1 ZINC000050893597 519903478 /nfs/dbraw/zinc/90/34/78/519903478.db2.gz DGLZLMZJPVJKBR-HOTGVXAUSA-N 2 2 252.446 3.419 10 0 CGAELP Cc1cc2[nH+]cn(CCCC[NH2+]C3CC3)c2cc1C ZINC000052575632 525683152 /nfs/dbraw/zinc/68/31/52/525683152.db2.gz JNFVINCSNUCKLV-UHFFFAOYSA-N 2 2 257.381 3.185 10 0 CGAELP Cc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1C ZINC000188399451 542247398 /nfs/dbraw/zinc/24/73/98/542247398.db2.gz ZJJXLLUWESFCJZ-KRWDZBQOSA-N 2 2 269.392 3.165 10 0 CGAELP Cc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1C ZINC000188399451 542247393 /nfs/dbraw/zinc/24/73/93/542247393.db2.gz ZJJXLLUWESFCJZ-KRWDZBQOSA-N 2 2 269.392 3.165 10 0 CGAELP CC[NH2+][C@H]1CC[N@@H+](C(c2ccccc2)c2ccccc2)C1 ZINC000033756164 344936386 /nfs/dbraw/zinc/93/63/86/344936386.db2.gz ZYLFUOYKGALLNE-SFHVURJKSA-N 2 2 280.415 3.460 10 0 CGAELP CC[NH2+][C@H]1CC[N@H+](C(c2ccccc2)c2ccccc2)C1 ZINC000033756164 344936388 /nfs/dbraw/zinc/93/63/88/344936388.db2.gz ZYLFUOYKGALLNE-SFHVURJKSA-N 2 2 280.415 3.460 10 0 CGAELP CCCOc1cccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000188398138 542247889 /nfs/dbraw/zinc/24/78/89/542247889.db2.gz NSUHPKQFSTYUBR-KRWDZBQOSA-N 2 2 299.418 3.337 10 0 CGAELP CCCOc1cccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000188398138 542247893 /nfs/dbraw/zinc/24/78/93/542247893.db2.gz NSUHPKQFSTYUBR-KRWDZBQOSA-N 2 2 299.418 3.337 10 0 CGAELP CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](CC)C2)cc1 ZINC000389450584 346572811 /nfs/dbraw/zinc/57/28/11/346572811.db2.gz QCZCMVLUJMFCHH-GDBMZVCRSA-N 2 2 276.424 3.220 10 0 CGAELP CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000389450584 346572813 /nfs/dbraw/zinc/57/28/13/346572813.db2.gz QCZCMVLUJMFCHH-GDBMZVCRSA-N 2 2 276.424 3.220 10 0 CGAELP FC1(CC[C@H]2c3ccccc3-c3c[nH+]cn32)CC[NH2+]CC1 ZINC000584638772 346701322 /nfs/dbraw/zinc/70/13/22/346701322.db2.gz HVZMEQXVMNLAJR-HNNXBMFYSA-N 2 2 285.366 3.325 10 0 CGAELP [NH3+]CC[N@@H+]1CCCCC[C@H]1c1ccc2ccccc2n1 ZINC000616624850 348850206 /nfs/dbraw/zinc/85/02/06/348850206.db2.gz HQHRUBGXYPAROT-KRWDZBQOSA-N 2 2 269.392 3.111 10 0 CGAELP [NH3+]CC[N@H+]1CCCCC[C@H]1c1ccc2ccccc2n1 ZINC000616624850 348850208 /nfs/dbraw/zinc/85/02/08/348850208.db2.gz HQHRUBGXYPAROT-KRWDZBQOSA-N 2 2 269.392 3.111 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000122849494 187055343 /nfs/dbraw/zinc/05/53/43/187055343.db2.gz DTLPISRGPADXSF-HOTGVXAUSA-N 2 2 273.424 3.439 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000122849494 187055344 /nfs/dbraw/zinc/05/53/44/187055344.db2.gz DTLPISRGPADXSF-HOTGVXAUSA-N 2 2 273.424 3.439 10 0 CGAELP C[C@H]1C[C@H]1c1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)o1 ZINC000127740930 138390666 /nfs/dbraw/zinc/39/06/66/138390666.db2.gz BFNUOYBJMBRWQH-WMLDXEAASA-N 2 2 288.435 3.463 10 0 CGAELP CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000191114655 542257730 /nfs/dbraw/zinc/25/77/30/542257730.db2.gz IPKLERFKJRUDAA-BBWFWOEESA-N 2 2 273.424 3.340 10 0 CGAELP CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000191114655 542257735 /nfs/dbraw/zinc/25/77/35/542257735.db2.gz IPKLERFKJRUDAA-BBWFWOEESA-N 2 2 273.424 3.340 10 0 CGAELP CCOc1ccccc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178300611 189104685 /nfs/dbraw/zinc/10/46/85/189104685.db2.gz QAHALJLFEATICN-QGZVFWFLSA-N 2 2 299.418 3.255 10 0 CGAELP CCOc1ccccc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178300611 189104686 /nfs/dbraw/zinc/10/46/86/189104686.db2.gz QAHALJLFEATICN-QGZVFWFLSA-N 2 2 299.418 3.255 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(F)c(C)c1 ZINC000180126253 189239004 /nfs/dbraw/zinc/23/90/04/189239004.db2.gz YDUZMMRORRRSDN-MRXNPFEDSA-N 2 2 287.382 3.304 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(F)c(C)c1 ZINC000180126253 189239005 /nfs/dbraw/zinc/23/90/05/189239005.db2.gz YDUZMMRORRRSDN-MRXNPFEDSA-N 2 2 287.382 3.304 10 0 CGAELP CC1CC[NH+](CC[NH2+]C2(C3CCC3)CCC2)CC1 ZINC000459752352 242210560 /nfs/dbraw/zinc/21/05/60/242210560.db2.gz BQDONAKVFWUJRD-UHFFFAOYSA-N 2 2 250.430 3.031 10 0 CGAELP CSc1ccc([C@H](C[NH3+])[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000034958883 368982837 /nfs/dbraw/zinc/98/28/37/368982837.db2.gz DQVHZDVWLWKHJE-DOMZBBRYSA-N 2 2 264.438 3.140 10 0 CGAELP CSc1ccc([C@H](C[NH3+])[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000034958883 368982841 /nfs/dbraw/zinc/98/28/41/368982841.db2.gz DQVHZDVWLWKHJE-DOMZBBRYSA-N 2 2 264.438 3.140 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC000040501984 369156464 /nfs/dbraw/zinc/15/64/64/369156464.db2.gz LDXSPRNQJYTEMY-QGZVFWFLSA-N 2 2 268.404 3.414 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC000040501984 369156470 /nfs/dbraw/zinc/15/64/70/369156470.db2.gz LDXSPRNQJYTEMY-QGZVFWFLSA-N 2 2 268.404 3.414 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CCc2ccccc2)C1 ZINC000040502147 369158426 /nfs/dbraw/zinc/15/84/26/369158426.db2.gz RUYVLVYQNICUNO-RDJZCZTQSA-N 2 2 260.425 3.082 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)CCc2ccccc2)C1 ZINC000040502147 369158427 /nfs/dbraw/zinc/15/84/27/369158427.db2.gz RUYVLVYQNICUNO-RDJZCZTQSA-N 2 2 260.425 3.082 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2C)C1 ZINC000040502282 369158486 /nfs/dbraw/zinc/15/84/86/369158486.db2.gz PORNJWLTZRVDKW-JKSUJKDBSA-N 2 2 260.425 3.438 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2C)C1 ZINC000040502282 369158488 /nfs/dbraw/zinc/15/84/88/369158488.db2.gz PORNJWLTZRVDKW-JKSUJKDBSA-N 2 2 260.425 3.438 10 0 CGAELP C[C@@H](CC(F)(F)F)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000065451470 369675163 /nfs/dbraw/zinc/67/51/63/369675163.db2.gz PMUNYRHRNBQYEK-NSHDSACASA-N 2 2 283.297 3.303 10 0 CGAELP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000300403645 373625745 /nfs/dbraw/zinc/62/57/45/373625745.db2.gz ZZDCIMFZFLZAQV-KLHDSHLOSA-N 2 2 252.446 3.131 10 0 CGAELP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000300403645 373625751 /nfs/dbraw/zinc/62/57/51/373625751.db2.gz ZZDCIMFZFLZAQV-KLHDSHLOSA-N 2 2 252.446 3.131 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000178287538 373760852 /nfs/dbraw/zinc/76/08/52/373760852.db2.gz WOGHPZXSJLOIEW-INIZCTEOSA-N 2 2 261.413 3.236 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000178287538 373760857 /nfs/dbraw/zinc/76/08/57/373760857.db2.gz WOGHPZXSJLOIEW-INIZCTEOSA-N 2 2 261.413 3.236 10 0 CGAELP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000180042412 373957454 /nfs/dbraw/zinc/95/74/54/373957454.db2.gz KPEKQHFZGDZSAF-HNNXBMFYSA-N 2 2 299.393 3.463 10 0 CGAELP Cc1ccc(F)cc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000180042412 373957457 /nfs/dbraw/zinc/95/74/57/373957457.db2.gz KPEKQHFZGDZSAF-HNNXBMFYSA-N 2 2 299.393 3.463 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(C)cc1C ZINC000180127545 373968172 /nfs/dbraw/zinc/96/81/72/373968172.db2.gz VLIQVGIKWKQBSJ-SFHVURJKSA-N 2 2 283.419 3.473 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(C)cc1C ZINC000180127545 373968176 /nfs/dbraw/zinc/96/81/76/373968176.db2.gz VLIQVGIKWKQBSJ-SFHVURJKSA-N 2 2 283.419 3.473 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(Br)c2)C1 ZINC000328393862 374365626 /nfs/dbraw/zinc/36/56/26/374365626.db2.gz YOIVLYQXHORLFN-FZMZJTMJSA-N 2 2 297.240 3.194 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(Br)c2)C1 ZINC000328393862 374365636 /nfs/dbraw/zinc/36/56/36/374365636.db2.gz YOIVLYQXHORLFN-FZMZJTMJSA-N 2 2 297.240 3.194 10 0 CGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCS[C@@H](C)C1 ZINC000191994586 375687648 /nfs/dbraw/zinc/68/76/48/375687648.db2.gz UFKDSZBOLPSDOK-AWEZNQCLSA-N 2 2 287.432 3.118 10 0 CGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCS[C@@H](C)C1 ZINC000191994586 375687653 /nfs/dbraw/zinc/68/76/53/375687653.db2.gz UFKDSZBOLPSDOK-AWEZNQCLSA-N 2 2 287.432 3.118 10 0 CGAELP CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000245723348 376890372 /nfs/dbraw/zinc/89/03/72/376890372.db2.gz UYYZNJFEPUWDCP-YJBOKZPZSA-N 2 2 299.418 3.365 10 0 CGAELP CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000245723348 376890377 /nfs/dbraw/zinc/89/03/77/376890377.db2.gz UYYZNJFEPUWDCP-YJBOKZPZSA-N 2 2 299.418 3.365 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000247007104 377136555 /nfs/dbraw/zinc/13/65/55/377136555.db2.gz KZIYAFASSVXCCI-ZWKOTPCHSA-N 2 2 272.436 3.082 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000247007104 377136567 /nfs/dbraw/zinc/13/65/67/377136567.db2.gz KZIYAFASSVXCCI-ZWKOTPCHSA-N 2 2 272.436 3.082 10 0 CGAELP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000248041334 377260326 /nfs/dbraw/zinc/26/03/26/377260326.db2.gz SZFCRVRQXCBGLL-RVKKMQEKSA-N 2 2 290.451 3.465 10 0 CGAELP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000248041334 377260338 /nfs/dbraw/zinc/26/03/38/377260338.db2.gz SZFCRVRQXCBGLL-RVKKMQEKSA-N 2 2 290.451 3.465 10 0 CGAELP Cn1c[nH+]c(CC[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)c1 ZINC000313253540 249090150 /nfs/dbraw/zinc/09/01/50/249090150.db2.gz NHORFNKANHCPEU-HUUCEWRRSA-N 2 2 263.429 3.157 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H](C)Sc3sccc32)C1 ZINC000389159892 379894515 /nfs/dbraw/zinc/89/45/15/379894515.db2.gz AGRVLMJSRLLONT-DMDPSCGWSA-N 2 2 282.478 3.357 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H](C)Sc3sccc32)C1 ZINC000389159892 379894518 /nfs/dbraw/zinc/89/45/18/379894518.db2.gz AGRVLMJSRLLONT-DMDPSCGWSA-N 2 2 282.478 3.357 10 0 CGAELP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000400344246 379949504 /nfs/dbraw/zinc/94/95/04/379949504.db2.gz JVMUQVUQWVMFFS-MJVIPROJSA-N 2 2 252.789 3.131 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000106212481 392299834 /nfs/dbraw/zinc/29/98/34/392299834.db2.gz XNZGEVFKWYVTDF-OAHLLOKOSA-N 2 2 287.382 3.422 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000106212481 392299836 /nfs/dbraw/zinc/29/98/36/392299836.db2.gz XNZGEVFKWYVTDF-OAHLLOKOSA-N 2 2 287.382 3.422 10 0 CGAELP Cc1ccc2nc([C@H]3CCC[N@@H+]3C3CC[NH2+]CC3)oc2c1 ZINC000038042527 292393616 /nfs/dbraw/zinc/39/36/16/292393616.db2.gz NTKFQWHEDKWPMX-OAHLLOKOSA-N 2 2 285.391 3.025 10 0 CGAELP Cc1ccc2nc([C@H]3CCC[N@H+]3C3CC[NH2+]CC3)oc2c1 ZINC000038042527 292393618 /nfs/dbraw/zinc/39/36/18/292393618.db2.gz NTKFQWHEDKWPMX-OAHLLOKOSA-N 2 2 285.391 3.025 10 0 CGAELP Cc1ccc2nc([C@@H]3CCC[N@@H+]3C3CC[NH2+]CC3)oc2c1 ZINC000038042526 292393709 /nfs/dbraw/zinc/39/37/09/292393709.db2.gz NTKFQWHEDKWPMX-HNNXBMFYSA-N 2 2 285.391 3.025 10 0 CGAELP Cc1ccc2nc([C@@H]3CCC[N@H+]3C3CC[NH2+]CC3)oc2c1 ZINC000038042526 292393710 /nfs/dbraw/zinc/39/37/10/292393710.db2.gz NTKFQWHEDKWPMX-HNNXBMFYSA-N 2 2 285.391 3.025 10 0 CGAELP C[C@@H](c1cccc(F)c1)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000056494437 287143449 /nfs/dbraw/zinc/14/34/49/287143449.db2.gz JMKWNYQNMRTJHN-AWEZNQCLSA-N 2 2 276.399 3.447 10 0 CGAELP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[NH+]3CCC2CC3)c1 ZINC000019947474 170937515 /nfs/dbraw/zinc/93/75/15/170937515.db2.gz AFGQTTFGIUYADE-YOEHRIQHSA-N 2 2 258.409 3.048 10 0 CGAELP CCCOc1ccccc1C[NH2+]CCC[NH+](CC)CC ZINC000020967317 171282372 /nfs/dbraw/zinc/28/23/72/171282372.db2.gz PYMJBGQOTJRVAR-UHFFFAOYSA-N 2 2 278.440 3.297 10 0 CGAELP CCC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@@H]([NH+]2CCCCC2)C1 ZINC000021011854 171287787 /nfs/dbraw/zinc/28/77/87/171287787.db2.gz MVTVUKANGSUAKD-KFWWJZLASA-N 2 2 252.446 3.405 10 0 CGAELP C[C@@H]1C[C@@H]1c1ccc([C@@H](C[NH3+])[N@@H+]2CCCC[C@@H]2C)o1 ZINC000022223305 171379427 /nfs/dbraw/zinc/37/94/27/171379427.db2.gz HQHQPJSFLDSFMT-ZOBORPQBSA-N 2 2 262.397 3.277 10 0 CGAELP C[C@@H]1C[C@@H]1c1ccc([C@@H](C[NH3+])[N@H+]2CCCC[C@@H]2C)o1 ZINC000022223305 171379428 /nfs/dbraw/zinc/37/94/28/171379428.db2.gz HQHQPJSFLDSFMT-ZOBORPQBSA-N 2 2 262.397 3.277 10 0 CGAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)c1c(Cl)cccc1Cl ZINC000035504282 172238456 /nfs/dbraw/zinc/23/84/56/172238456.db2.gz LPQVPZDTEWUOPT-SNVBAGLBSA-N 2 2 270.163 3.220 10 0 CGAELP CCC[N@H+]([C@@H](c1cccs1)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000071315004 176121538 /nfs/dbraw/zinc/12/15/38/176121538.db2.gz ZQRCHTRKVNCGDU-UKRRQHHQSA-N 2 2 264.438 3.273 10 0 CGAELP CCC[N@@H+]([C@@H](c1cccs1)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000071315004 176121540 /nfs/dbraw/zinc/12/15/40/176121540.db2.gz ZQRCHTRKVNCGDU-UKRRQHHQSA-N 2 2 264.438 3.273 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000328349251 270095327 /nfs/dbraw/zinc/09/53/27/270095327.db2.gz MWHYNRPVSZSRLD-LSDHHAIUSA-N 2 2 250.430 3.173 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000328349251 270095328 /nfs/dbraw/zinc/09/53/28/270095328.db2.gz MWHYNRPVSZSRLD-LSDHHAIUSA-N 2 2 250.430 3.173 10 0 CGAELP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000396566867 288013993 /nfs/dbraw/zinc/01/39/93/288013993.db2.gz MHWPXCKTWHWYSO-LEWSCRJBSA-N 2 2 280.412 3.093 10 0 CGAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1cccc(Br)c1 ZINC000396636415 288014642 /nfs/dbraw/zinc/01/46/42/288014642.db2.gz NRVNHCUWBFBPGG-MJVIPROJSA-N 2 2 297.240 3.240 10 0 CGAELP C[C@H]([NH2+][C@@H](C[NH+](C)C)c1ccccc1)[C@@H]1CC1(C)C ZINC000397781022 288030445 /nfs/dbraw/zinc/03/04/45/288030445.db2.gz OKTHQWWLRUDERX-BPUTZDHNSA-N 2 2 260.425 3.314 10 0 CGAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[NH+]1CCC(C)(C)CC1 ZINC000061818425 522339877 /nfs/dbraw/zinc/33/98/77/522339877.db2.gz FLOLFGYCEAESSG-JSGCOSHPSA-N 2 2 250.386 3.180 10 0 CGAELP CC(C)[C@@H]1CC[C@H]([NH3+])[C@H]([NH+]2CCCCCCC2)C1 ZINC000054554817 519803320 /nfs/dbraw/zinc/80/33/20/519803320.db2.gz FAJGYVAMVAJTHU-OWCLPIDISA-N 2 2 252.446 3.405 10 0 CGAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H](CC)C(C)C ZINC000054602445 519910080 /nfs/dbraw/zinc/91/00/80/519910080.db2.gz DTHGFOCQTHNIMQ-UYTSQGDYSA-N 2 2 252.446 3.416 10 0 CGAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H](CC)C(C)C ZINC000054602445 519910081 /nfs/dbraw/zinc/91/00/81/519910081.db2.gz DTHGFOCQTHNIMQ-UYTSQGDYSA-N 2 2 252.446 3.416 10 0 CGAELP CC[NH2+][C@@H](C)Cc1[nH+]c2cc(C)ccc2n1C1CC1 ZINC000061181861 520073338 /nfs/dbraw/zinc/07/33/38/520073338.db2.gz RAFDSXXTGLFNBD-LBPRGKRZSA-N 2 2 257.381 3.220 10 0 CGAELP C[NH2+]C[C@@H](C(C)C)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000052346264 522023232 /nfs/dbraw/zinc/02/32/32/522023232.db2.gz PWRIJYRLTZIFKR-AWEZNQCLSA-N 2 2 254.805 3.016 10 0 CGAELP C[NH2+]C[C@@H](C(C)C)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000052346264 522023242 /nfs/dbraw/zinc/02/32/42/522023242.db2.gz PWRIJYRLTZIFKR-AWEZNQCLSA-N 2 2 254.805 3.016 10 0 CGAELP CC[C@@H](C1CCCCC1)[N@@H+]1CC[NH2+][C@H](CC)CC1 ZINC000052342459 522463862 /nfs/dbraw/zinc/46/38/62/522463862.db2.gz TXQDTIBAHZVSJP-CVEARBPZSA-N 2 2 252.446 3.419 10 0 CGAELP CC[C@@H](C1CCCCC1)[N@H+]1CC[NH2+][C@H](CC)CC1 ZINC000052342459 522463866 /nfs/dbraw/zinc/46/38/66/522463866.db2.gz TXQDTIBAHZVSJP-CVEARBPZSA-N 2 2 252.446 3.419 10 0 CGAELP C[N@H+]([C@@H](C[NH2+]C1CC1)c1ccccc1)C1CCCC1 ZINC000052445043 523623647 /nfs/dbraw/zinc/62/36/47/523623647.db2.gz PIUJFRSJZOJBGC-KRWDZBQOSA-N 2 2 258.409 3.354 10 0 CGAELP C[N@@H+]([C@@H](C[NH2+]C1CC1)c1ccccc1)C1CCCC1 ZINC000052445043 523623659 /nfs/dbraw/zinc/62/36/59/523623659.db2.gz PIUJFRSJZOJBGC-KRWDZBQOSA-N 2 2 258.409 3.354 10 0 CGAELP Cc1ccc2c(c1)CCC[N@H+]2CCC[C@@H]1CCC[NH2+]1 ZINC000052764236 526145314 /nfs/dbraw/zinc/14/53/14/526145314.db2.gz UCQYHCRYZJERBM-INIZCTEOSA-N 2 2 258.409 3.280 10 0 CGAELP Cc1ccc2c(c1)CCC[N@@H+]2CCC[C@@H]1CCC[NH2+]1 ZINC000052764236 526145326 /nfs/dbraw/zinc/14/53/26/526145326.db2.gz UCQYHCRYZJERBM-INIZCTEOSA-N 2 2 258.409 3.280 10 0 CGAELP c1cc2c(s1)CCC[C@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000061326784 526446391 /nfs/dbraw/zinc/44/63/91/526446391.db2.gz KACOBVDHMPSIMY-RBSFLKMASA-N 2 2 276.449 3.342 10 0 CGAELP c1cc2c(s1)CCC[C@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000061326784 526446393 /nfs/dbraw/zinc/44/63/93/526446393.db2.gz KACOBVDHMPSIMY-RBSFLKMASA-N 2 2 276.449 3.342 10 0 CGAELP Cc1[nH+]c[nH]c1C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000054795601 527214647 /nfs/dbraw/zinc/21/46/47/527214647.db2.gz HPDKEFWZEOVEOX-LLVKDONJSA-N 2 2 255.321 3.315 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)Cc1ccccc1F ZINC000157207862 528501770 /nfs/dbraw/zinc/50/17/70/528501770.db2.gz AWXSLMRGFMSJKB-GDBMZVCRSA-N 2 2 280.431 3.323 10 0 CGAELP FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000085133689 345744314 /nfs/dbraw/zinc/74/43/14/345744314.db2.gz YQYHPLQXRGPJOM-OLZOCXBDSA-N 2 2 278.362 3.183 10 0 CGAELP CCOc1ccccc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178300631 189104419 /nfs/dbraw/zinc/10/44/19/189104419.db2.gz QAHALJLFEATICN-KRWDZBQOSA-N 2 2 299.418 3.255 10 0 CGAELP CCOc1ccccc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178300631 189104420 /nfs/dbraw/zinc/10/44/20/189104420.db2.gz QAHALJLFEATICN-KRWDZBQOSA-N 2 2 299.418 3.255 10 0 CGAELP C[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC000097929397 370257650 /nfs/dbraw/zinc/25/76/50/370257650.db2.gz KUCGRKMKEUFRDT-ZIAGYGMSSA-N 2 2 252.446 3.275 10 0 CGAELP C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261564546 296223376 /nfs/dbraw/zinc/22/33/76/296223376.db2.gz CXJLSMLBNPFLIT-GXFFZTMASA-N 2 2 268.351 3.085 10 0 CGAELP C[C@@H](c1c(F)cccc1F)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261564546 296223379 /nfs/dbraw/zinc/22/33/79/296223379.db2.gz CXJLSMLBNPFLIT-GXFFZTMASA-N 2 2 268.351 3.085 10 0 CGAELP Cc1cccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1C ZINC000188402032 375209877 /nfs/dbraw/zinc/20/98/77/375209877.db2.gz ZEEYELFGDJWDJI-QGZVFWFLSA-N 2 2 269.392 3.165 10 0 CGAELP Cc1cccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1C ZINC000188402032 375209884 /nfs/dbraw/zinc/20/98/84/375209884.db2.gz ZEEYELFGDJWDJI-QGZVFWFLSA-N 2 2 269.392 3.165 10 0 CGAELP c1ccc(CC[N@@H+]2CC[C@@H]([NH2+][C@@H]3CC=CCC3)C2)cc1 ZINC000226507144 376361670 /nfs/dbraw/zinc/36/16/70/376361670.db2.gz RDEICIXIQXGNJR-QZTJIDSGSA-N 2 2 270.420 3.002 10 0 CGAELP c1ccc(CC[N@H+]2CC[C@@H]([NH2+][C@@H]3CC=CCC3)C2)cc1 ZINC000226507144 376361673 /nfs/dbraw/zinc/36/16/73/376361673.db2.gz RDEICIXIQXGNJR-QZTJIDSGSA-N 2 2 270.420 3.002 10 0 CGAELP C[C@@H]1CC[N@H+](Cc2ccc(F)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000245574413 376860968 /nfs/dbraw/zinc/86/09/68/376860968.db2.gz HKCZWVHRBAMDFV-MLGOLLRUSA-N 2 2 291.345 3.244 10 0 CGAELP C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000245574413 376860975 /nfs/dbraw/zinc/86/09/75/376860975.db2.gz HKCZWVHRBAMDFV-MLGOLLRUSA-N 2 2 291.345 3.244 10 0 CGAELP C[C@H]1CC[N@H+](Cc2c(F)cccc2F)C[C@H]1n1cc[nH+]c1 ZINC000246449814 377033241 /nfs/dbraw/zinc/03/32/41/377033241.db2.gz NROCDDKSKBFLTC-BLLLJJGKSA-N 2 2 291.345 3.244 10 0 CGAELP C[C@H]1CC[N@@H+](Cc2c(F)cccc2F)C[C@H]1n1cc[nH+]c1 ZINC000246449814 377033254 /nfs/dbraw/zinc/03/32/54/377033254.db2.gz NROCDDKSKBFLTC-BLLLJJGKSA-N 2 2 291.345 3.244 10 0 CGAELP Cc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc[nH+]1 ZINC000246500924 377043865 /nfs/dbraw/zinc/04/38/65/377043865.db2.gz MZRZGCBYEWHVIX-YOEHRIQHSA-N 2 2 296.418 3.250 10 0 CGAELP Cc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc[nH+]1 ZINC000246500924 377043873 /nfs/dbraw/zinc/04/38/73/377043873.db2.gz MZRZGCBYEWHVIX-YOEHRIQHSA-N 2 2 296.418 3.250 10 0 CGAELP Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000248022468 377258441 /nfs/dbraw/zinc/25/84/41/377258441.db2.gz OAPRDBZOGSRTKH-HLLBOEOZSA-N 2 2 260.425 3.374 10 0 CGAELP Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000248022468 377258446 /nfs/dbraw/zinc/25/84/46/377258446.db2.gz OAPRDBZOGSRTKH-HLLBOEOZSA-N 2 2 260.425 3.374 10 0 CGAELP C(C1CCCCC1)[N@@H+]1CC[NH2+]CC12CCCCC2 ZINC000085452429 249014953 /nfs/dbraw/zinc/01/49/53/249014953.db2.gz XFWHGBCAJFZCGA-UHFFFAOYSA-N 2 2 250.430 3.175 10 0 CGAELP C(C1CCCCC1)[N@H+]1CC[NH2+]CC12CCCCC2 ZINC000085452429 249014955 /nfs/dbraw/zinc/01/49/55/249014955.db2.gz XFWHGBCAJFZCGA-UHFFFAOYSA-N 2 2 250.430 3.175 10 0 CGAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+](CC)C2)C12CCCCC2 ZINC000250308034 377558694 /nfs/dbraw/zinc/55/86/94/377558694.db2.gz LLPVXYOPMNYXMC-YESZJQIVSA-N 2 2 294.483 3.188 10 0 CGAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](CC)C2)C12CCCCC2 ZINC000250308034 377558700 /nfs/dbraw/zinc/55/87/00/377558700.db2.gz LLPVXYOPMNYXMC-YESZJQIVSA-N 2 2 294.483 3.188 10 0 CGAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C[N@@H+]1C1CC1 ZINC000252712753 377654419 /nfs/dbraw/zinc/65/44/19/377654419.db2.gz NGQNSXDVTCBIKV-VOAKCMCISA-N 2 2 290.373 3.322 10 0 CGAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C[N@H+]1C1CC1 ZINC000252712753 377654423 /nfs/dbraw/zinc/65/44/23/377654423.db2.gz NGQNSXDVTCBIKV-VOAKCMCISA-N 2 2 290.373 3.322 10 0 CGAELP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000185222816 542238591 /nfs/dbraw/zinc/23/85/91/542238591.db2.gz ABHJUFYAGAHCBI-BZUAXINKSA-N 2 2 261.413 3.174 10 0 CGAELP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000185222816 542238592 /nfs/dbraw/zinc/23/85/92/542238592.db2.gz ABHJUFYAGAHCBI-BZUAXINKSA-N 2 2 261.413 3.174 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)Sc3sccc32)C1 ZINC000389159900 379894341 /nfs/dbraw/zinc/89/43/41/379894341.db2.gz AGRVLMJSRLLONT-GMXVVIOVSA-N 2 2 282.478 3.357 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)Sc3sccc32)C1 ZINC000389159900 379894348 /nfs/dbraw/zinc/89/43/48/379894348.db2.gz AGRVLMJSRLLONT-GMXVVIOVSA-N 2 2 282.478 3.357 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCOc3cc(C)ccc32)C1 ZINC000247231128 285269507 /nfs/dbraw/zinc/26/95/07/285269507.db2.gz YHQQHSJRXAIWDA-RDJZCZTQSA-N 2 2 288.435 3.283 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCCOc3cc(C)ccc32)C1 ZINC000247231128 285269513 /nfs/dbraw/zinc/26/95/13/285269513.db2.gz YHQQHSJRXAIWDA-RDJZCZTQSA-N 2 2 288.435 3.283 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCOc3ccc(C)cc32)C1 ZINC000247146938 285269850 /nfs/dbraw/zinc/26/98/50/285269850.db2.gz SQTUTUYAOJPLSB-RDJZCZTQSA-N 2 2 288.435 3.283 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCCOc3ccc(C)cc32)C1 ZINC000247146938 285269851 /nfs/dbraw/zinc/26/98/51/285269851.db2.gz SQTUTUYAOJPLSB-RDJZCZTQSA-N 2 2 288.435 3.283 10 0 CGAELP C[C@@H]([NH2+][C@@H](C[NH+](C)C)c1ccccc1)C1CCCC1 ZINC000054077624 392088351 /nfs/dbraw/zinc/08/83/51/392088351.db2.gz OLDMUBPXGRSALY-PBHICJAKSA-N 2 2 260.425 3.458 10 0 CGAELP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000400344240 392947102 /nfs/dbraw/zinc/94/71/02/392947102.db2.gz JVMUQVUQWVMFFS-COPLHBTASA-N 2 2 252.789 3.131 10 0 CGAELP FC1(F)CCCC[C@@H]1C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000394658102 397695526 /nfs/dbraw/zinc/69/55/26/397695526.db2.gz NCDLMUIGSZHMDB-ILXRZTDVSA-N 2 2 286.410 3.418 10 0 CGAELP FC1(F)CCCC[C@@H]1C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000394658102 397695521 /nfs/dbraw/zinc/69/55/21/397695521.db2.gz NCDLMUIGSZHMDB-ILXRZTDVSA-N 2 2 286.410 3.418 10 0 CGAELP CCC1CCC(C[NH3+])([NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000020557465 171250465 /nfs/dbraw/zinc/25/04/65/171250465.db2.gz UORMDBUNRHXFKM-FXQLRMTLSA-N 2 2 252.446 3.262 10 0 CGAELP CC[NH+](CC)[C@@H](C[NH3+])c1ccc2cc(OC)ccc2c1 ZINC000022172359 171368851 /nfs/dbraw/zinc/36/88/51/171368851.db2.gz MMUIIPBDYOFJJL-KRWDZBQOSA-N 2 2 272.392 3.190 10 0 CGAELP CC(C)[N@H+](C)[C@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000022178608 171371908 /nfs/dbraw/zinc/37/19/08/171371908.db2.gz VHLXLVGFNLMXCC-GFCCVEGCSA-N 2 2 260.303 3.045 10 0 CGAELP CC(C)[N@@H+](C)[C@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000022178608 171371909 /nfs/dbraw/zinc/37/19/09/171371909.db2.gz VHLXLVGFNLMXCC-GFCCVEGCSA-N 2 2 260.303 3.045 10 0 CGAELP CCCCCC[C@@H](C[NH3+])[N@H+](C)Cc1ccsc1 ZINC000035718993 172373494 /nfs/dbraw/zinc/37/34/94/172373494.db2.gz BYRBOWCHWHLQJF-AWEZNQCLSA-N 2 2 254.443 3.478 10 0 CGAELP CCCCCC[C@@H](C[NH3+])[N@@H+](C)Cc1ccsc1 ZINC000035718993 172373496 /nfs/dbraw/zinc/37/34/96/172373496.db2.gz BYRBOWCHWHLQJF-AWEZNQCLSA-N 2 2 254.443 3.478 10 0 CGAELP CC(C)Cc1ccc([C@H](C)[N@H+](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000071309311 176116863 /nfs/dbraw/zinc/11/68/63/176116863.db2.gz ALYILUQQTIGCLE-WMLDXEAASA-N 2 2 260.425 3.240 10 0 CGAELP CC(C)Cc1ccc([C@H](C)[N@@H+](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000071309311 176116864 /nfs/dbraw/zinc/11/68/64/176116864.db2.gz ALYILUQQTIGCLE-WMLDXEAASA-N 2 2 260.425 3.240 10 0 CGAELP FC(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657303096 419246237 /nfs/dbraw/zinc/24/62/37/419246237.db2.gz ZYNCIYKGRKSFFX-QWRGUYRKSA-N 2 2 287.329 3.040 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2C[C@@H](C)c3ccccc32)C1 ZINC000311614007 276179285 /nfs/dbraw/zinc/17/92/85/276179285.db2.gz WCLVXIUBQYYXSV-KEYYUXOJSA-N 2 2 258.409 3.309 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2C[C@@H](C)c3ccccc32)C1 ZINC000311614007 276179286 /nfs/dbraw/zinc/17/92/86/276179286.db2.gz WCLVXIUBQYYXSV-KEYYUXOJSA-N 2 2 258.409 3.309 10 0 CGAELP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000396526796 288013759 /nfs/dbraw/zinc/01/37/59/288013759.db2.gz FMWHOJVUDVWFTN-ZQIUZPCESA-N 2 2 276.424 3.265 10 0 CGAELP CCC[NH2+]C[C@H](C(C)C)[N@H+](C)Cc1ccc(C)cc1 ZINC000052424509 519928691 /nfs/dbraw/zinc/92/86/91/519928691.db2.gz MZMMMEPXWOCJLI-QGZVFWFLSA-N 2 2 262.441 3.451 10 0 CGAELP CCC[NH2+]C[C@H](C(C)C)[N@@H+](C)Cc1ccc(C)cc1 ZINC000052424509 519928698 /nfs/dbraw/zinc/92/86/98/519928698.db2.gz MZMMMEPXWOCJLI-QGZVFWFLSA-N 2 2 262.441 3.451 10 0 CGAELP CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1[N@@H+](C)CC1CC1 ZINC000054555224 520122663 /nfs/dbraw/zinc/12/26/63/520122663.db2.gz FXUZOZMOOUNZJI-XHSDSOJGSA-N 2 2 252.446 3.131 10 0 CGAELP CC(C)[C@H](C[NH2+]C1CC1)[N@H+](C)C1CCC(C)CC1 ZINC000052345300 519815863 /nfs/dbraw/zinc/81/58/63/519815863.db2.gz ULJZLJKFEGEZGQ-BCLQGDPASA-N 2 2 252.446 3.274 10 0 CGAELP CC(C)[C@H](C[NH2+]C1CC1)[N@@H+](C)C1CCC(C)CC1 ZINC000052345300 519815864 /nfs/dbraw/zinc/81/58/64/519815864.db2.gz ULJZLJKFEGEZGQ-BCLQGDPASA-N 2 2 252.446 3.274 10 0 CGAELP CC[NH2+]C1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000049509008 519908841 /nfs/dbraw/zinc/90/88/41/519908841.db2.gz QTMIBAPZRRNDEF-GFCCVEGCSA-N 2 2 266.816 3.475 10 0 CGAELP CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1[N@H+](C)CC1CC1 ZINC000054555224 520122657 /nfs/dbraw/zinc/12/26/57/520122657.db2.gz FXUZOZMOOUNZJI-XHSDSOJGSA-N 2 2 252.446 3.131 10 0 CGAELP CC[C@H]1CCC[N@@H+]1[C@@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050546154 523112682 /nfs/dbraw/zinc/11/26/82/523112682.db2.gz BEWHXILTWGMQPM-ZFWWWQNUSA-N 2 2 250.361 3.008 10 0 CGAELP CC[C@H]1CCC[N@H+]1[C@@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050546154 523112691 /nfs/dbraw/zinc/11/26/91/523112691.db2.gz BEWHXILTWGMQPM-ZFWWWQNUSA-N 2 2 250.361 3.008 10 0 CGAELP Cc1cc([C@@H](C[NH3+])[N@@H+](C)[C@@H](C)C(C)C)ccc1F ZINC000050546083 525480587 /nfs/dbraw/zinc/48/05/87/525480587.db2.gz KOYQJKRNSYDISB-SWLSCSKDSA-N 2 2 252.377 3.110 10 0 CGAELP Cc1cc([C@@H](C[NH3+])[N@H+](C)[C@@H](C)C(C)C)ccc1F ZINC000050546083 525480594 /nfs/dbraw/zinc/48/05/94/525480594.db2.gz KOYQJKRNSYDISB-SWLSCSKDSA-N 2 2 252.377 3.110 10 0 CGAELP CC1(C)CC[C@H]([NH2+][C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000163642027 529049540 /nfs/dbraw/zinc/04/95/40/529049540.db2.gz ZFDVRWHFELPTED-ZWKOTPCHSA-N 2 2 286.463 3.472 10 0 CGAELP CC1(C)CC[C@H]([NH2+][C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000163642027 529049545 /nfs/dbraw/zinc/04/95/45/529049545.db2.gz ZFDVRWHFELPTED-ZWKOTPCHSA-N 2 2 286.463 3.472 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC000106213158 536174056 /nfs/dbraw/zinc/17/40/56/536174056.db2.gz UYFXJSXFHZSSNO-OAHLLOKOSA-N 2 2 261.413 3.273 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC000106213158 536174059 /nfs/dbraw/zinc/17/40/59/536174059.db2.gz UYFXJSXFHZSSNO-OAHLLOKOSA-N 2 2 261.413 3.273 10 0 CGAELP c1ccc2cc(NCCC[NH+]3CCCC3)[nH+]cc2c1 ZINC000032229111 344930483 /nfs/dbraw/zinc/93/04/83/344930483.db2.gz ZSFJJJXKASHDKE-UHFFFAOYSA-N 2 2 255.365 3.133 10 0 CGAELP COc1ccc(C[C@@H](C)[NH2+][C@H](CC(C)C)C[NH+](C)C)cc1 ZINC000037167304 344947940 /nfs/dbraw/zinc/94/79/40/344947940.db2.gz NGKZABHXXJNEPD-NVXWUHKLSA-N 2 2 292.467 3.192 10 0 CGAELP Cc1cc[nH+]cc1N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000307398128 346462160 /nfs/dbraw/zinc/46/21/60/346462160.db2.gz XUHIIMICZOLEBA-RDJZCZTQSA-N 2 2 281.403 3.465 10 0 CGAELP Cc1cc[nH+]cc1N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000307398128 346462162 /nfs/dbraw/zinc/46/21/62/346462162.db2.gz XUHIIMICZOLEBA-RDJZCZTQSA-N 2 2 281.403 3.465 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)C(C)C)C1 ZINC000389130506 346572693 /nfs/dbraw/zinc/57/26/93/346572693.db2.gz FBTYVOHNHLIFNU-IRXDYDNUSA-N 2 2 260.425 3.110 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)C(C)C)C1 ZINC000389130506 346572696 /nfs/dbraw/zinc/57/26/96/346572696.db2.gz FBTYVOHNHLIFNU-IRXDYDNUSA-N 2 2 260.425 3.110 10 0 CGAELP Cc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3ccc(C)cn23)o1 ZINC000155678407 188221101 /nfs/dbraw/zinc/22/11/01/188221101.db2.gz IJHIUXUABHHTHJ-CYBMUJFWSA-N 2 2 269.348 3.395 10 0 CGAELP CCCC1CCC([NH2+][C@H]2CCC[N@H+](CC)C2)CC1 ZINC000040502496 369158024 /nfs/dbraw/zinc/15/80/24/369158024.db2.gz MAHAXUUAKBXOER-GPANFISMSA-N 2 2 252.446 3.419 10 0 CGAELP CCCC1CCC([NH2+][C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000040502496 369158031 /nfs/dbraw/zinc/15/80/31/369158031.db2.gz MAHAXUUAKBXOER-GPANFISMSA-N 2 2 252.446 3.419 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2C)C1 ZINC000040502281 369158449 /nfs/dbraw/zinc/15/84/49/369158449.db2.gz PORNJWLTZRVDKW-HOTGVXAUSA-N 2 2 260.425 3.438 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2C)C1 ZINC000040502281 369158450 /nfs/dbraw/zinc/15/84/50/369158450.db2.gz PORNJWLTZRVDKW-HOTGVXAUSA-N 2 2 260.425 3.438 10 0 CGAELP CCCn1cc(C[NH2+]CCCn2cc[nH+]c2)c2ccccc21 ZINC000057353293 369536008 /nfs/dbraw/zinc/53/60/08/369536008.db2.gz FJSNQPDMNHGRNB-UHFFFAOYSA-N 2 2 296.418 3.428 10 0 CGAELP CCc1ccc([C@H]2CCCC[N@@H+]2CCn2cc[nH+]c2)o1 ZINC000131460366 371109469 /nfs/dbraw/zinc/10/94/69/371109469.db2.gz LCWCZAQNOLTOQV-OAHLLOKOSA-N 2 2 273.380 3.266 10 0 CGAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000309695548 374193222 /nfs/dbraw/zinc/19/32/22/374193222.db2.gz DWPVIPZERCJQHB-RDJZCZTQSA-N 2 2 290.451 3.054 10 0 CGAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000309695548 374193229 /nfs/dbraw/zinc/19/32/29/374193229.db2.gz DWPVIPZERCJQHB-RDJZCZTQSA-N 2 2 290.451 3.054 10 0 CGAELP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)C[C@@H]1CC=CCC1 ZINC000328636190 374373030 /nfs/dbraw/zinc/37/30/30/374373030.db2.gz NXPVHZJPOYTZLQ-NEWSRXKRSA-N 2 2 299.462 3.363 10 0 CGAELP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)C[C@@H]1CC=CCC1 ZINC000328636190 374373041 /nfs/dbraw/zinc/37/30/41/374373041.db2.gz NXPVHZJPOYTZLQ-NEWSRXKRSA-N 2 2 299.462 3.363 10 0 CGAELP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C[C@@H]1CC=CCC1 ZINC000328636190 374373045 /nfs/dbraw/zinc/37/30/45/374373045.db2.gz NXPVHZJPOYTZLQ-NEWSRXKRSA-N 2 2 299.462 3.363 10 0 CGAELP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C[C@@H]1CC=CCC1 ZINC000328636190 374373055 /nfs/dbraw/zinc/37/30/55/374373055.db2.gz NXPVHZJPOYTZLQ-NEWSRXKRSA-N 2 2 299.462 3.363 10 0 CGAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCCc2ccccc21 ZINC000222702155 376241654 /nfs/dbraw/zinc/24/16/54/376241654.db2.gz JNVILYYJRGDACU-DOTOQJQBSA-N 2 2 258.409 3.138 10 0 CGAELP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCCc2ccccc21 ZINC000222702155 376241660 /nfs/dbraw/zinc/24/16/60/376241660.db2.gz JNVILYYJRGDACU-DOTOQJQBSA-N 2 2 258.409 3.138 10 0 CGAELP C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@@H](C)C1 ZINC000246809928 377095015 /nfs/dbraw/zinc/09/50/15/377095015.db2.gz TWSKYGUMWBBVPN-GJZGRUSLSA-N 2 2 284.407 3.135 10 0 CGAELP C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@@H](C)C1 ZINC000246809928 377095019 /nfs/dbraw/zinc/09/50/19/377095019.db2.gz TWSKYGUMWBBVPN-GJZGRUSLSA-N 2 2 284.407 3.135 10 0 CGAELP C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000192972776 542270189 /nfs/dbraw/zinc/27/01/89/542270189.db2.gz MLTJCUXWLVMBQP-QIPRVMPFSA-N 2 2 281.403 3.451 10 0 CGAELP C/C(=C\c1ccccc1)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000192972776 542270192 /nfs/dbraw/zinc/27/01/92/542270192.db2.gz MLTJCUXWLVMBQP-QIPRVMPFSA-N 2 2 281.403 3.451 10 0 CGAELP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(Cl)s1 ZINC000070143223 165055500 /nfs/dbraw/zinc/05/55/00/165055500.db2.gz WRBBDLPNARPRIJ-SECBINFHSA-N 2 2 298.843 3.052 10 0 CGAELP CC[NH+](CC)CC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000020551097 171247106 /nfs/dbraw/zinc/24/71/06/171247106.db2.gz KAJAXUBUGADNIS-BZUAXINKSA-N 2 2 254.462 3.379 10 0 CGAELP CC(C)[N@H+](C)[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000022163555 171364532 /nfs/dbraw/zinc/36/45/32/171364532.db2.gz BSAGGHPQBPFRPO-LBPRGKRZSA-N 2 2 261.196 3.333 10 0 CGAELP CC(C)[N@@H+](C)[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000022163555 171364534 /nfs/dbraw/zinc/36/45/34/171364534.db2.gz BSAGGHPQBPFRPO-LBPRGKRZSA-N 2 2 261.196 3.333 10 0 CGAELP CC[NH2+][C@@H]1CC[N@@H+](C(c2ccccc2)c2ccccc2)C1 ZINC000033756163 171820190 /nfs/dbraw/zinc/82/01/90/171820190.db2.gz ZYLFUOYKGALLNE-GOSISDBHSA-N 2 2 280.415 3.460 10 0 CGAELP CC[NH2+][C@@H]1CC[N@H+](C(c2ccccc2)c2ccccc2)C1 ZINC000033756163 171820192 /nfs/dbraw/zinc/82/01/92/171820192.db2.gz ZYLFUOYKGALLNE-GOSISDBHSA-N 2 2 280.415 3.460 10 0 CGAELP C[C@H]1CCC[C@](C[NH3+])([N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000035176777 172030220 /nfs/dbraw/zinc/03/02/20/172030220.db2.gz VLPQQYVKBVLFQN-NXOAAHMSSA-N 2 2 264.457 3.406 10 0 CGAELP C[C@H]1CCC[C@](C[NH3+])([N@H+]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000035176777 172030221 /nfs/dbraw/zinc/03/02/21/172030221.db2.gz VLPQQYVKBVLFQN-NXOAAHMSSA-N 2 2 264.457 3.406 10 0 CGAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1Cl ZINC000035503595 172237670 /nfs/dbraw/zinc/23/76/70/172237670.db2.gz UASHFCRNNYFMIJ-NSHDSACASA-N 2 2 270.163 3.220 10 0 CGAELP C[N@H+](Cc1cccs1)[C@H](C[NH3+])C1CCCCC1 ZINC000035716914 172370786 /nfs/dbraw/zinc/37/07/86/172370786.db2.gz XDRIINSKXDMGJW-CQSZACIVSA-N 2 2 252.427 3.088 10 0 CGAELP C[N@@H+](Cc1cccs1)[C@H](C[NH3+])C1CCCCC1 ZINC000035716914 172370788 /nfs/dbraw/zinc/37/07/88/172370788.db2.gz XDRIINSKXDMGJW-CQSZACIVSA-N 2 2 252.427 3.088 10 0 CGAELP CCCC[N@H+](CC[NH3+])Cc1cc(Br)cs1 ZINC000043687697 175094989 /nfs/dbraw/zinc/09/49/89/175094989.db2.gz YPBZZWMPALFVKM-UHFFFAOYSA-N 2 2 291.258 3.071 10 0 CGAELP CCCC[N@@H+](CC[NH3+])Cc1cc(Br)cs1 ZINC000043687697 175094990 /nfs/dbraw/zinc/09/49/90/175094990.db2.gz YPBZZWMPALFVKM-UHFFFAOYSA-N 2 2 291.258 3.071 10 0 CGAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1CCC[C@@H]1C ZINC000071209501 176082245 /nfs/dbraw/zinc/08/22/45/176082245.db2.gz ODBSBGKZBOBAHL-NIOBXDJOSA-N 2 2 250.430 3.170 10 0 CGAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1CCC[C@@H]1C ZINC000071209501 176082246 /nfs/dbraw/zinc/08/22/46/176082246.db2.gz ODBSBGKZBOBAHL-NIOBXDJOSA-N 2 2 250.430 3.170 10 0 CGAELP CCCCc1ccc([C@H]([C@@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000071587061 176214521 /nfs/dbraw/zinc/21/45/21/176214521.db2.gz JEJACVKSCLGVRO-DLBZAZTESA-N 2 2 260.425 3.384 10 0 CGAELP Cc1[nH+]cc(C[NH2+][C@H](C)c2ccc(C)cc2C)n1C ZINC000657317345 419249128 /nfs/dbraw/zinc/24/91/28/419249128.db2.gz DATYGJSPIACZOW-CYBMUJFWSA-N 2 2 257.381 3.196 10 0 CGAELP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(F)c(Cl)c1 ZINC000657328111 419251632 /nfs/dbraw/zinc/25/16/32/419251632.db2.gz SEGFZFUNMBYYSW-SNVBAGLBSA-N 2 2 293.773 3.473 10 0 CGAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1cccc(Cl)c1 ZINC000396673362 288015342 /nfs/dbraw/zinc/01/53/42/288015342.db2.gz RPGWOPBTTIAGLC-MJVIPROJSA-N 2 2 252.789 3.131 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCOc3cc(C)ccc32)C1 ZINC000133011437 279295488 /nfs/dbraw/zinc/29/54/88/279295488.db2.gz YHQQHSJRXAIWDA-NVXWUHKLSA-N 2 2 288.435 3.283 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCOc3cc(C)ccc32)C1 ZINC000133011437 279295489 /nfs/dbraw/zinc/29/54/89/279295489.db2.gz YHQQHSJRXAIWDA-NVXWUHKLSA-N 2 2 288.435 3.283 10 0 CGAELP CC[N@@H+]([C@H](C[NH2+]CC(C)C)c1ccccc1)C1CC1 ZINC000052452326 521477546 /nfs/dbraw/zinc/47/75/46/521477546.db2.gz NGVWMJGNVQCSHZ-QGZVFWFLSA-N 2 2 260.425 3.458 10 0 CGAELP CC(C)C[C@H]1C[N@H+](Cc2ccc(F)cc2)CCC[NH2+]1 ZINC000062662090 519414852 /nfs/dbraw/zinc/41/48/52/519414852.db2.gz JWZQGEIRVCAUTC-INIZCTEOSA-N 2 2 264.388 3.036 10 0 CGAELP CC(C)C[C@H]1C[N@@H+](Cc2ccc(F)cc2)CCC[NH2+]1 ZINC000062662090 519414855 /nfs/dbraw/zinc/41/48/55/519414855.db2.gz JWZQGEIRVCAUTC-INIZCTEOSA-N 2 2 264.388 3.036 10 0 CGAELP CC(C)C[N@H+](C)[C@H](C[NH3+])c1csc2ccccc21 ZINC000054464039 519709424 /nfs/dbraw/zinc/70/94/24/519709424.db2.gz DIMSUSSKVHVQNU-CQSZACIVSA-N 2 2 262.422 3.489 10 0 CGAELP CC(C)C[N@@H+](C)[C@H](C[NH3+])c1csc2ccccc21 ZINC000054464039 519709426 /nfs/dbraw/zinc/70/94/26/519709426.db2.gz DIMSUSSKVHVQNU-CQSZACIVSA-N 2 2 262.422 3.489 10 0 CGAELP CCCC1CC[NH+]([C@@H]2CCCC[C@H]2[NH2+]CC)CC1 ZINC000050893598 519903253 /nfs/dbraw/zinc/90/32/53/519903253.db2.gz DGLZLMZJPVJKBR-HZPDHXFCSA-N 2 2 252.446 3.419 10 0 CGAELP CC[N@H+]([C@H](C[NH2+]CC(C)C)c1ccccc1)C1CC1 ZINC000052452326 521477541 /nfs/dbraw/zinc/47/75/41/521477541.db2.gz NGVWMJGNVQCSHZ-QGZVFWFLSA-N 2 2 260.425 3.458 10 0 CGAELP CC[C@H]([NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccccc1 ZINC000151847638 522722328 /nfs/dbraw/zinc/72/23/28/522722328.db2.gz JYURYJFCDCSJSE-BHYGNILZSA-N 2 2 260.425 3.456 10 0 CGAELP CC[C@H]([NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C)c1ccccc1 ZINC000151847638 522722339 /nfs/dbraw/zinc/72/23/39/522722339.db2.gz JYURYJFCDCSJSE-BHYGNILZSA-N 2 2 260.425 3.456 10 0 CGAELP c1ccc(C[C@@H]2C[N@@H+](C3CCCCC3)CCC[NH2+]2)cc1 ZINC000062666579 526477262 /nfs/dbraw/zinc/47/72/62/526477262.db2.gz UWNYPZKLAHSMET-QGZVFWFLSA-N 2 2 272.436 3.226 10 0 CGAELP c1ccc(C[C@@H]2C[N@H+](C3CCCCC3)CCC[NH2+]2)cc1 ZINC000062666579 526477268 /nfs/dbraw/zinc/47/72/68/526477268.db2.gz UWNYPZKLAHSMET-QGZVFWFLSA-N 2 2 272.436 3.226 10 0 CGAELP c1cn(C[C@@H]2CCC[N@@H+]2Cc2cc3ccccc3o2)c[nH+]1 ZINC000188418447 542247298 /nfs/dbraw/zinc/24/72/98/542247298.db2.gz SOQWAUOKTZESJT-HNNXBMFYSA-N 2 2 281.359 3.294 10 0 CGAELP c1cn(C[C@@H]2CCC[N@H+]2Cc2cc3ccccc3o2)c[nH+]1 ZINC000188418447 542247301 /nfs/dbraw/zinc/24/73/01/542247301.db2.gz SOQWAUOKTZESJT-HNNXBMFYSA-N 2 2 281.359 3.294 10 0 CGAELP Cc1cc2ccccc2[nH+]c1N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000063106346 345243052 /nfs/dbraw/zinc/24/30/52/345243052.db2.gz LOEITBUHXNGOEC-UKRRQHHQSA-N 2 2 269.392 3.343 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC000177142391 189031783 /nfs/dbraw/zinc/03/17/83/189031783.db2.gz PWZKBWJTQGKJMV-GJZGRUSLSA-N 2 2 284.407 3.239 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC000177142391 189031784 /nfs/dbraw/zinc/03/17/84/189031784.db2.gz PWZKBWJTQGKJMV-GJZGRUSLSA-N 2 2 284.407 3.239 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)c1ccccc1 ZINC000178314469 189105833 /nfs/dbraw/zinc/10/58/33/189105833.db2.gz CJLVEBYPLRUQON-WMLDXEAASA-N 2 2 269.392 3.417 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)c1ccccc1 ZINC000178314469 189105834 /nfs/dbraw/zinc/10/58/34/189105834.db2.gz CJLVEBYPLRUQON-WMLDXEAASA-N 2 2 269.392 3.417 10 0 CGAELP Cc1cccc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)[nH+]1 ZINC000301720956 201159892 /nfs/dbraw/zinc/15/98/92/201159892.db2.gz MOTATGSTYMIDNM-PBHICJAKSA-N 2 2 281.403 3.322 10 0 CGAELP Cc1cccc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)[nH+]1 ZINC000301720956 201159895 /nfs/dbraw/zinc/15/98/95/201159895.db2.gz MOTATGSTYMIDNM-PBHICJAKSA-N 2 2 281.403 3.322 10 0 CGAELP c1ccc2[nH+]c(N[C@H]3CC[N@@H+](CC4CCCC4)C3)[nH]c2c1 ZINC000301886454 201246867 /nfs/dbraw/zinc/24/68/67/201246867.db2.gz PBLSWWLWAHWJHU-AWEZNQCLSA-N 2 2 284.407 3.239 10 0 CGAELP c1ccc2[nH+]c(N[C@H]3CC[N@H+](CC4CCCC4)C3)[nH]c2c1 ZINC000301886454 201246869 /nfs/dbraw/zinc/24/68/69/201246869.db2.gz PBLSWWLWAHWJHU-AWEZNQCLSA-N 2 2 284.407 3.239 10 0 CGAELP CCOc1cccc([C@H](C[NH3+])[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000022853992 368812569 /nfs/dbraw/zinc/81/25/69/368812569.db2.gz ZLOAJFXYSRAMIG-VBQJREDUSA-N 2 2 276.424 3.348 10 0 CGAELP CCOc1cccc([C@H](C[NH3+])[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000022853992 368812573 /nfs/dbraw/zinc/81/25/73/368812573.db2.gz ZLOAJFXYSRAMIG-VBQJREDUSA-N 2 2 276.424 3.348 10 0 CGAELP CCOc1ccccc1[C@@H](C[NH3+])[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000022853961 368812634 /nfs/dbraw/zinc/81/26/34/368812634.db2.gz LGZBVYDOPFHOQZ-IJEWVQPXSA-N 2 2 276.424 3.348 10 0 CGAELP CCOc1ccccc1[C@@H](C[NH3+])[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000022853961 368812636 /nfs/dbraw/zinc/81/26/36/368812636.db2.gz LGZBVYDOPFHOQZ-IJEWVQPXSA-N 2 2 276.424 3.348 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC000040502289 369158412 /nfs/dbraw/zinc/15/84/12/369158412.db2.gz KUIMXQBVHVBNSM-HOTGVXAUSA-N 2 2 260.425 3.438 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC000040502289 369158414 /nfs/dbraw/zinc/15/84/14/369158414.db2.gz KUIMXQBVHVBNSM-HOTGVXAUSA-N 2 2 260.425 3.438 10 0 CGAELP CCCc1cc(N[C@H]2CCC[NH2+]C2)nc(-c2ccccc2)[nH+]1 ZINC000070456406 369801237 /nfs/dbraw/zinc/80/12/37/369801237.db2.gz IYJYQYIRKONVJD-INIZCTEOSA-N 2 2 296.418 3.260 10 0 CGAELP c1ccc(NC[C@H]2CC[N@H+](C[C@H]3CC=CCC3)C2)[nH+]c1 ZINC000092812470 370103875 /nfs/dbraw/zinc/10/38/75/370103875.db2.gz OSELDYDSYCTMTB-JKSUJKDBSA-N 2 2 271.408 3.172 10 0 CGAELP c1ccc(NC[C@H]2CC[N@@H+](C[C@H]3CC=CCC3)C2)[nH+]c1 ZINC000092812470 370103878 /nfs/dbraw/zinc/10/38/78/370103878.db2.gz OSELDYDSYCTMTB-JKSUJKDBSA-N 2 2 271.408 3.172 10 0 CGAELP C[C@H](CC1CCC1)[NH2+][C@H](C[NH+](C)C)c1ccccc1 ZINC000128698118 542053351 /nfs/dbraw/zinc/05/33/51/542053351.db2.gz WRGMIFHPIFERPA-RHSMWYFYSA-N 2 2 260.425 3.458 10 0 CGAELP Cc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc[nH+]1 ZINC000246500917 377043109 /nfs/dbraw/zinc/04/31/09/377043109.db2.gz MZRZGCBYEWHVIX-WMLDXEAASA-N 2 2 296.418 3.250 10 0 CGAELP Cc1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc[nH+]1 ZINC000246500917 377043115 /nfs/dbraw/zinc/04/31/15/377043115.db2.gz MZRZGCBYEWHVIX-WMLDXEAASA-N 2 2 296.418 3.250 10 0 CGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccco1 ZINC000248054792 377262812 /nfs/dbraw/zinc/26/28/12/377262812.db2.gz XEXDJDPGNYJVSM-YQQAZPJKSA-N 2 2 299.418 3.236 10 0 CGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccco1 ZINC000248054792 377262821 /nfs/dbraw/zinc/26/28/21/377262821.db2.gz XEXDJDPGNYJVSM-YQQAZPJKSA-N 2 2 299.418 3.236 10 0 CGAELP Fc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1Cl ZINC000185222719 542238216 /nfs/dbraw/zinc/23/82/16/542238216.db2.gz YHTYXNBBOLUANT-CYBMUJFWSA-N 2 2 293.773 3.340 10 0 CGAELP Fc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1Cl ZINC000185222719 542238221 /nfs/dbraw/zinc/23/82/21/542238221.db2.gz YHTYXNBBOLUANT-CYBMUJFWSA-N 2 2 293.773 3.340 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](c2ccc(C)cc2)C2CC2)C1 ZINC000389304846 379895429 /nfs/dbraw/zinc/89/54/29/379895429.db2.gz FFDAMGHSJRJKRJ-IAGOWNOFSA-N 2 2 258.409 3.130 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](c2ccc(C)cc2)C2CC2)C1 ZINC000389304846 379895436 /nfs/dbraw/zinc/89/54/36/379895436.db2.gz FFDAMGHSJRJKRJ-IAGOWNOFSA-N 2 2 258.409 3.130 10 0 CGAELP CC(C)C[C@@H]([NH2+][C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000019947242 184535088 /nfs/dbraw/zinc/53/50/88/184535088.db2.gz KUABZASUIOIFOR-QZTJIDSGSA-N 2 2 272.436 3.458 10 0 CGAELP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[N@H+](C)Cc2ccccc2)C1 ZINC000309892724 542427770 /nfs/dbraw/zinc/42/77/70/542427770.db2.gz MZVQVGSUHSDOLZ-RYQLBKOJSA-N 2 2 290.451 3.054 10 0 CGAELP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000309892724 542427774 /nfs/dbraw/zinc/42/77/74/542427774.db2.gz MZVQVGSUHSDOLZ-RYQLBKOJSA-N 2 2 290.451 3.054 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000106212475 392299489 /nfs/dbraw/zinc/29/94/89/392299489.db2.gz BGFMUQZGBSYVJV-MRXNPFEDSA-N 2 2 287.382 3.422 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000106212475 392299493 /nfs/dbraw/zinc/29/94/93/392299493.db2.gz BGFMUQZGBSYVJV-MRXNPFEDSA-N 2 2 287.382 3.422 10 0 CGAELP C/C(=C/c1ccccc1)C[NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000500398552 393826859 /nfs/dbraw/zinc/82/68/59/393826859.db2.gz RMHJHAVCZDBIQM-SGWAQYLTSA-N 2 2 272.436 3.408 10 0 CGAELP C/C(=C/c1ccccc1)C[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000500398552 393826863 /nfs/dbraw/zinc/82/68/63/393826863.db2.gz RMHJHAVCZDBIQM-SGWAQYLTSA-N 2 2 272.436 3.408 10 0 CGAELP C/C(=C/c1ccccc1)C[NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000500398549 393826949 /nfs/dbraw/zinc/82/69/49/393826949.db2.gz RMHJHAVCZDBIQM-BEAZESRASA-N 2 2 272.436 3.408 10 0 CGAELP C/C(=C/c1ccccc1)C[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000500398549 393826953 /nfs/dbraw/zinc/82/69/53/393826953.db2.gz RMHJHAVCZDBIQM-BEAZESRASA-N 2 2 272.436 3.408 10 0 CGAELP C[N@H+](CCc1ccccc1)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000020225686 171088049 /nfs/dbraw/zinc/08/80/49/171088049.db2.gz MFAUPPKEGWDOOS-KRWDZBQOSA-N 2 2 272.367 3.000 10 0 CGAELP C[N@@H+](CCc1ccccc1)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000020225686 171088051 /nfs/dbraw/zinc/08/80/51/171088051.db2.gz MFAUPPKEGWDOOS-KRWDZBQOSA-N 2 2 272.367 3.000 10 0 CGAELP Cc1ccc([C@@H](C[NH3+])[N@H+](C)CCc2ccccc2)cc1 ZINC000020225581 171089092 /nfs/dbraw/zinc/08/90/92/171089092.db2.gz ABAGIUJVBBUKHF-GOSISDBHSA-N 2 2 268.404 3.169 10 0 CGAELP Cc1ccc([C@@H](C[NH3+])[N@@H+](C)CCc2ccccc2)cc1 ZINC000020225581 171089094 /nfs/dbraw/zinc/08/90/94/171089094.db2.gz ABAGIUJVBBUKHF-GOSISDBHSA-N 2 2 268.404 3.169 10 0 CGAELP C[C@H]1CC(C)(C)C[C@](C[NH3+])([NH+]2CCCCCC2)C1 ZINC000021517737 171314208 /nfs/dbraw/zinc/31/42/08/171314208.db2.gz IAHWNDIHHORADU-GOEBONIOSA-N 2 2 252.446 3.406 10 0 CGAELP CC[N@H+]([C@H](C[NH3+])c1cccs1)C1CCCCC1 ZINC000022173190 171368805 /nfs/dbraw/zinc/36/88/05/171368805.db2.gz PFJWTWBDBAFBGT-CYBMUJFWSA-N 2 2 252.427 3.403 10 0 CGAELP CC[N@@H+]([C@H](C[NH3+])c1cccs1)C1CCCCC1 ZINC000022173190 171368807 /nfs/dbraw/zinc/36/88/07/171368807.db2.gz PFJWTWBDBAFBGT-CYBMUJFWSA-N 2 2 252.427 3.403 10 0 CGAELP Clc1ccc(C[NH2+]CCc2c[nH+]c[nH]2)c(Cl)c1 ZINC000045946224 175388190 /nfs/dbraw/zinc/38/81/90/175388190.db2.gz GZTMLXIOPRUVPG-UHFFFAOYSA-N 2 2 270.163 3.049 10 0 CGAELP Clc1ccc(C[NH2+]CCc2c[nH]c[nH+]2)c(Cl)c1 ZINC000045946224 175388191 /nfs/dbraw/zinc/38/81/91/175388191.db2.gz GZTMLXIOPRUVPG-UHFFFAOYSA-N 2 2 270.163 3.049 10 0 CGAELP CC(C)=CC[NH+]1CCC(Nc2c[nH+]ccc2C)CC1 ZINC000071413792 176159419 /nfs/dbraw/zinc/15/94/19/176159419.db2.gz QNLUGBFGUHJWHV-UHFFFAOYSA-N 2 2 259.397 3.233 10 0 CGAELP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2)n1C ZINC000657337507 419255197 /nfs/dbraw/zinc/25/51/97/419255197.db2.gz XVKZBYRRODCOBB-ZDUSSCGKSA-N 2 2 257.381 3.196 10 0 CGAELP C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671199 270030039 /nfs/dbraw/zinc/03/00/39/270030039.db2.gz JIBQUXFKMLHJBF-BHIYHBOVSA-N 2 2 286.463 3.472 10 0 CGAELP C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671199 270030041 /nfs/dbraw/zinc/03/00/41/270030041.db2.gz JIBQUXFKMLHJBF-BHIYHBOVSA-N 2 2 286.463 3.472 10 0 CGAELP Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1cccc2[nH+]ccn21 ZINC000188953113 274799538 /nfs/dbraw/zinc/79/95/38/274799538.db2.gz OHMYGPFPFUYPFV-INIZCTEOSA-N 2 2 293.370 3.256 10 0 CGAELP C[C@@H]([NH2+]Cc1cccn1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000174651380 335162277 /nfs/dbraw/zinc/16/22/77/335162277.db2.gz PFQUOWOUSMLBJY-CQSZACIVSA-N 2 2 280.375 3.062 10 0 CGAELP CC[C@@H](C[NH2+]C(C)(C)C)[N@H+](C)Cc1cccs1 ZINC000052456100 522544511 /nfs/dbraw/zinc/54/45/11/522544511.db2.gz WESCLQDAYKUUCO-LBPRGKRZSA-N 2 2 254.443 3.347 10 0 CGAELP CC[C@@H](C[NH2+]C(C)(C)C)[N@@H+](C)Cc1cccs1 ZINC000052456100 522544521 /nfs/dbraw/zinc/54/45/21/522544521.db2.gz WESCLQDAYKUUCO-LBPRGKRZSA-N 2 2 254.443 3.347 10 0 CGAELP CC(C)C[NH2+]C[C@H](C)[NH+]1CCC(C(C)(C)C)CC1 ZINC000052373567 519745643 /nfs/dbraw/zinc/74/56/43/519745643.db2.gz SQNUYTYLTSAVAY-AWEZNQCLSA-N 2 2 254.462 3.379 10 0 CGAELP CC(C)[C@](C)(C[NH3+])[NH+]1CCC2(CCCCC2)CC1 ZINC000061818820 519829136 /nfs/dbraw/zinc/82/91/36/519829136.db2.gz MKIHDFYFTCDSQZ-HNNXBMFYSA-N 2 2 252.446 3.406 10 0 CGAELP CCC[NH2+]C1CC[NH+]([C@@H](C)c2ccc(C)o2)CC1 ZINC000049216735 519906588 /nfs/dbraw/zinc/90/65/88/519906588.db2.gz JGTBGJWFYICRJP-ZDUSSCGKSA-N 2 2 250.386 3.113 10 0 CGAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[N@@H+](C)C1CCCC1 ZINC000050578423 525004159 /nfs/dbraw/zinc/00/41/59/525004159.db2.gz SUGCFSHCPOAZQQ-OAHLLOKOSA-N 2 2 250.361 3.008 10 0 CGAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[N@H+](C)C1CCCC1 ZINC000050578423 525004171 /nfs/dbraw/zinc/00/41/71/525004171.db2.gz SUGCFSHCPOAZQQ-OAHLLOKOSA-N 2 2 250.361 3.008 10 0 CGAELP CC1(C)CCc2ccccc2[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000130154679 535330942 /nfs/dbraw/zinc/33/09/42/535330942.db2.gz FVSPFNMQDLUAQU-OAHLLOKOSA-N 2 2 255.365 3.213 10 0 CGAELP Cc1ccccc1[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000096947869 185137442 /nfs/dbraw/zinc/13/74/42/185137442.db2.gz NJRGDJDBKVOLRG-QZTJIDSGSA-N 2 2 266.388 3.269 10 0 CGAELP Cc1ccccc1[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccccc1 ZINC000096947869 185137444 /nfs/dbraw/zinc/13/74/44/185137444.db2.gz NJRGDJDBKVOLRG-QZTJIDSGSA-N 2 2 266.388 3.269 10 0 CGAELP CC(C)Oc1cccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000188406062 542247441 /nfs/dbraw/zinc/24/74/41/542247441.db2.gz ASQVYVMZIXRHCY-KRWDZBQOSA-N 2 2 299.418 3.335 10 0 CGAELP CC(C)Oc1cccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000188406062 542247445 /nfs/dbraw/zinc/24/74/45/542247445.db2.gz ASQVYVMZIXRHCY-KRWDZBQOSA-N 2 2 299.418 3.335 10 0 CGAELP CCC1(CC)C[N@H+](Cc2ccccc2)C(C)(C)C[NH2+]1 ZINC000082938675 345723711 /nfs/dbraw/zinc/72/37/11/345723711.db2.gz AFMFUKWKTXKMGR-UHFFFAOYSA-N 2 2 260.425 3.429 10 0 CGAELP CCC1(CC)C[N@@H+](Cc2ccccc2)C(C)(C)C[NH2+]1 ZINC000082938675 345723716 /nfs/dbraw/zinc/72/37/16/345723716.db2.gz AFMFUKWKTXKMGR-UHFFFAOYSA-N 2 2 260.425 3.429 10 0 CGAELP [NH3+][C@H](c1c(Cl)cc(O)cc1Cl)[C@@H]([NH3+])c1ccccc1 ZINC000137376863 346094188 /nfs/dbraw/zinc/09/41/88/346094188.db2.gz VKFFVLQURYEYPA-UONOGXRCSA-N 2 2 297.185 3.399 10 0 CGAELP CC(C)c1cc(Cn2cc[nH+]c2)cc(Cn2cc[nH+]c2)c1 ZINC000584654120 346704881 /nfs/dbraw/zinc/70/48/81/346704881.db2.gz PKLJSRCHYAXPFN-UHFFFAOYSA-N 2 2 280.375 3.300 10 0 CGAELP Cc1ccc([C@@H](C)[NH2+]Cc2cccc3[nH+]ccn32)o1 ZINC000178491187 189120314 /nfs/dbraw/zinc/12/03/14/189120314.db2.gz PTMJDNUEWWOKOP-GFCCVEGCSA-N 2 2 255.321 3.087 10 0 CGAELP Cc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)s1 ZINC000180124022 189238172 /nfs/dbraw/zinc/23/81/72/189238172.db2.gz DDMAZRBBYUDIKW-AWEZNQCLSA-N 2 2 275.421 3.226 10 0 CGAELP Cc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)s1 ZINC000180124022 189238173 /nfs/dbraw/zinc/23/81/73/189238173.db2.gz DDMAZRBBYUDIKW-AWEZNQCLSA-N 2 2 275.421 3.226 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]Cc1ccc2ncccc2c1 ZINC000049556053 369409726 /nfs/dbraw/zinc/40/97/26/369409726.db2.gz MFBMFBOIDHFBCY-QGZVFWFLSA-N 2 2 285.435 3.301 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000134959827 371380248 /nfs/dbraw/zinc/38/02/48/371380248.db2.gz KITWIQDJSIGMJE-CYBMUJFWSA-N 2 2 295.390 3.163 10 0 CGAELP c1cc([C@H]2[N@H+](C3CC[NH2+]CC3)CC23CCCCC3)ccn1 ZINC000169676561 372630904 /nfs/dbraw/zinc/63/09/04/372630904.db2.gz MNDYBOCBOWVZGX-QGZVFWFLSA-N 2 2 285.435 3.141 10 0 CGAELP c1cc([C@H]2[N@@H+](C3CC[NH2+]CC3)CC23CCCCC3)ccn1 ZINC000169676561 372630921 /nfs/dbraw/zinc/63/09/21/372630921.db2.gz MNDYBOCBOWVZGX-QGZVFWFLSA-N 2 2 285.435 3.141 10 0 CGAELP Clc1ccc2[nH+]ccc(N3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000172151205 372913713 /nfs/dbraw/zinc/91/37/13/372913713.db2.gz ZAJTWHXAQLFFBM-CYBMUJFWSA-N 2 2 287.794 3.173 10 0 CGAELP Clc1ccc2[nH+]ccc(N3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000172151205 372913719 /nfs/dbraw/zinc/91/37/19/372913719.db2.gz ZAJTWHXAQLFFBM-CYBMUJFWSA-N 2 2 287.794 3.173 10 0 CGAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000309695531 374193186 /nfs/dbraw/zinc/19/31/86/374193186.db2.gz DWPVIPZERCJQHB-DOTOQJQBSA-N 2 2 290.451 3.054 10 0 CGAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000309695531 374193192 /nfs/dbraw/zinc/19/31/92/374193192.db2.gz DWPVIPZERCJQHB-DOTOQJQBSA-N 2 2 290.451 3.054 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000336891759 376021125 /nfs/dbraw/zinc/02/11/25/376021125.db2.gz IWBCWMOFNHGMIF-RISCZKNCSA-N 2 2 286.341 3.450 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000336891759 376021130 /nfs/dbraw/zinc/02/11/30/376021130.db2.gz IWBCWMOFNHGMIF-RISCZKNCSA-N 2 2 286.341 3.450 10 0 CGAELP CCc1ccc([C@@H](CC)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000222697609 376241047 /nfs/dbraw/zinc/24/10/47/376241047.db2.gz MDJLISFNZJLSFP-IAGOWNOFSA-N 2 2 260.425 3.384 10 0 CGAELP CCc1ccc([C@@H](CC)[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000222697609 376241054 /nfs/dbraw/zinc/24/10/54/376241054.db2.gz MDJLISFNZJLSFP-IAGOWNOFSA-N 2 2 260.425 3.384 10 0 CGAELP [NH3+]C[C@H]([NH2+]Cc1cccc(Cl)c1)c1ccccc1 ZINC000225864848 376330999 /nfs/dbraw/zinc/33/09/99/376330999.db2.gz AOOPNUYREKQBOB-HNNXBMFYSA-N 2 2 260.768 3.130 10 0 CGAELP COCc1cccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000245599435 376863995 /nfs/dbraw/zinc/86/39/95/376863995.db2.gz MCLQHGSRIQOLDW-MAUKXSAKSA-N 2 2 299.418 3.113 10 0 CGAELP COCc1cccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000245599435 376864001 /nfs/dbraw/zinc/86/40/01/376864001.db2.gz MCLQHGSRIQOLDW-MAUKXSAKSA-N 2 2 299.418 3.113 10 0 CGAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000246928898 377121814 /nfs/dbraw/zinc/12/18/14/377121814.db2.gz GVEFDHUYYDRMCU-DQYPLSBCSA-N 2 2 276.399 3.131 10 0 CGAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000246928898 377121824 /nfs/dbraw/zinc/12/18/24/377121824.db2.gz GVEFDHUYYDRMCU-DQYPLSBCSA-N 2 2 276.399 3.131 10 0 CGAELP CCC(CC)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812924 249035001 /nfs/dbraw/zinc/03/50/01/249035001.db2.gz AKUYMKDYBZXLCG-HNNXBMFYSA-N 2 2 261.413 3.252 10 0 CGAELP CCC(CC)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812924 249035003 /nfs/dbraw/zinc/03/50/03/249035003.db2.gz AKUYMKDYBZXLCG-HNNXBMFYSA-N 2 2 261.413 3.252 10 0 CGAELP CC[C@@H](C)C[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000188648041 249058566 /nfs/dbraw/zinc/05/85/66/249058566.db2.gz HNACVIWBZVQBOE-UKRRQHHQSA-N 2 2 295.496 3.251 10 0 CGAELP CC[C@@H](C)C[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000188648041 249058567 /nfs/dbraw/zinc/05/85/67/249058567.db2.gz HNACVIWBZVQBOE-UKRRQHHQSA-N 2 2 295.496 3.251 10 0 CGAELP CC[C@@H](C)C[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000188648041 249058569 /nfs/dbraw/zinc/05/85/69/249058569.db2.gz HNACVIWBZVQBOE-UKRRQHHQSA-N 2 2 295.496 3.251 10 0 CGAELP CC[C@@H](C)C[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000188648041 249058570 /nfs/dbraw/zinc/05/85/70/249058570.db2.gz HNACVIWBZVQBOE-UKRRQHHQSA-N 2 2 295.496 3.251 10 0 CGAELP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189915772 130038066 /nfs/dbraw/zinc/03/80/66/130038066.db2.gz AFJHEPOEUBLEAM-NVXWUHKLSA-N 3 2 298.434 3.007 10 0 CGAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000674880123 543302708 /nfs/dbraw/zinc/30/27/08/543302708.db2.gz GKDJLWNSOLWWNO-SXSDBLRQSA-N 2 2 278.827 3.126 10 0 CGAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000674880123 543302710 /nfs/dbraw/zinc/30/27/10/543302710.db2.gz GKDJLWNSOLWWNO-SXSDBLRQSA-N 2 2 278.827 3.126 10 0 CGAELP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cc(F)ccc1F ZINC000678738561 543552301 /nfs/dbraw/zinc/55/23/01/543552301.db2.gz FIJGPTDOHIJMAB-YPMHNXCESA-N 2 2 268.351 3.100 10 0 CGAELP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cc(F)ccc1F ZINC000678738561 543552304 /nfs/dbraw/zinc/55/23/04/543552304.db2.gz FIJGPTDOHIJMAB-YPMHNXCESA-N 2 2 268.351 3.100 10 0 CGAELP Cc1ccsc1[C@H](C[NH3+])[NH+]1CCCCCCC1 ZINC000020265216 171122311 /nfs/dbraw/zinc/12/23/11/171122311.db2.gz PMKVSPADDCFNFC-ZDUSSCGKSA-N 2 2 252.427 3.322 10 0 CGAELP C[C@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1ccc(OC(F)F)cc1 ZINC000022213853 171374852 /nfs/dbraw/zinc/37/48/52/171374852.db2.gz OHMDMONEWHZNTG-FZMZJTMJSA-N 2 2 284.350 3.162 10 0 CGAELP C[C@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1ccc(OC(F)F)cc1 ZINC000022213853 171374853 /nfs/dbraw/zinc/37/48/53/171374853.db2.gz OHMDMONEWHZNTG-FZMZJTMJSA-N 2 2 284.350 3.162 10 0 CGAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(F)cc1Cl ZINC000035570288 172266413 /nfs/dbraw/zinc/26/64/13/172266413.db2.gz DEEWHDOGQALMHZ-LBPRGKRZSA-N 2 2 267.735 3.096 10 0 CGAELP CCC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccccc1Cl ZINC000035586353 172285983 /nfs/dbraw/zinc/28/59/83/172285983.db2.gz USOJIUDAEFHPCQ-ZDUSSCGKSA-N 2 2 263.772 3.347 10 0 CGAELP CC[C@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccc(C)c(C)c2)C1 ZINC000037180164 173013157 /nfs/dbraw/zinc/01/31/57/173013157.db2.gz RZXXDJXPQMQYDR-RDJZCZTQSA-N 2 2 260.425 3.425 10 0 CGAELP CC[C@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccc(C)c(C)c2)C1 ZINC000037180164 173013159 /nfs/dbraw/zinc/01/31/59/173013159.db2.gz RZXXDJXPQMQYDR-RDJZCZTQSA-N 2 2 260.425 3.425 10 0 CGAELP Cc1ccc2c(c1)[nH+]c(C1CC[NH2+]CC1)n2C(C)C ZINC000037438558 173208501 /nfs/dbraw/zinc/20/85/01/173208501.db2.gz SCPGWAONTRWGBF-UHFFFAOYSA-N 2 2 257.381 3.393 10 0 CGAELP CCCn1c2ccc(Br)cc2[nH+]c1CCC[NH3+] ZINC000037441663 173211210 /nfs/dbraw/zinc/21/12/10/173211210.db2.gz AUBHFDIYMKWYLK-UHFFFAOYSA-N 2 2 296.212 3.100 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)c2cc(C)sc2C)C1 ZINC000040502552 276369458 /nfs/dbraw/zinc/36/94/58/276369458.db2.gz DRLNVAMKLOYCEF-GXTWGEPZSA-N 2 2 266.454 3.500 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)c2cc(C)sc2C)C1 ZINC000040502552 276369460 /nfs/dbraw/zinc/36/94/60/276369460.db2.gz DRLNVAMKLOYCEF-GXTWGEPZSA-N 2 2 266.454 3.500 10 0 CGAELP CSc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000396714399 288015839 /nfs/dbraw/zinc/01/58/39/288015839.db2.gz QSDAXUNBZJHBJM-ZOWXZIJZSA-N 2 2 264.438 3.200 10 0 CGAELP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000250346807 279315074 /nfs/dbraw/zinc/31/50/74/279315074.db2.gz QOOZZYHUJUNJFP-QLFBSQMISA-N 2 2 252.446 3.275 10 0 CGAELP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000250346807 279315075 /nfs/dbraw/zinc/31/50/75/279315075.db2.gz QOOZZYHUJUNJFP-QLFBSQMISA-N 2 2 252.446 3.275 10 0 CGAELP CC(C)C[NH2+]C[C@@H](C(C)C)[N@H+](C)Cc1ccccc1 ZINC000052417376 519744561 /nfs/dbraw/zinc/74/45/61/519744561.db2.gz KZBFLUKXDJNQES-KRWDZBQOSA-N 2 2 262.441 3.389 10 0 CGAELP CC(C)C[NH2+]C[C@@H](C(C)C)[N@@H+](C)Cc1ccccc1 ZINC000052417376 519744562 /nfs/dbraw/zinc/74/45/62/519744562.db2.gz KZBFLUKXDJNQES-KRWDZBQOSA-N 2 2 262.441 3.389 10 0 CGAELP CCCCC[N@H+](C)Cc1csc(C[NH2+]C2CC2)n1 ZINC000052454527 520151940 /nfs/dbraw/zinc/15/19/40/520151940.db2.gz BFUYCWIIQSZIIF-UHFFFAOYSA-N 2 2 267.442 3.017 10 0 CGAELP CCCCC[N@@H+](C)Cc1csc(C[NH2+]C2CC2)n1 ZINC000052454527 520151950 /nfs/dbraw/zinc/15/19/50/520151950.db2.gz BFUYCWIIQSZIIF-UHFFFAOYSA-N 2 2 267.442 3.017 10 0 CGAELP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(Cl)c1 ZINC000054628563 519910776 /nfs/dbraw/zinc/91/07/76/519910776.db2.gz QORZYZHAQWSZCZ-MQVJKMGUSA-N 2 2 278.827 3.445 10 0 CGAELP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(Cl)c1 ZINC000054628563 519910781 /nfs/dbraw/zinc/91/07/81/519910781.db2.gz QORZYZHAQWSZCZ-MQVJKMGUSA-N 2 2 278.827 3.445 10 0 CGAELP CCC[N@H+](CC1CC1)[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054555442 521627517 /nfs/dbraw/zinc/62/75/17/521627517.db2.gz RSIFNGIUWNHMFG-OWCLPIDISA-N 2 2 252.446 3.260 10 0 CGAELP CCC[N@@H+](CC1CC1)[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054555442 521627520 /nfs/dbraw/zinc/62/75/20/521627520.db2.gz RSIFNGIUWNHMFG-OWCLPIDISA-N 2 2 252.446 3.260 10 0 CGAELP Cc1cc(F)ccc1[C@H](C[NH3+])[N@@H+](C)[C@@H](C)C(C)C ZINC000050578589 525009213 /nfs/dbraw/zinc/00/92/13/525009213.db2.gz ROZVBSIHZVVWFW-WFASDCNBSA-N 2 2 252.377 3.110 10 0 CGAELP Cc1cc(F)ccc1[C@H](C[NH3+])[N@H+](C)[C@@H](C)C(C)C ZINC000050578589 525009225 /nfs/dbraw/zinc/00/92/25/525009225.db2.gz ROZVBSIHZVVWFW-WFASDCNBSA-N 2 2 252.377 3.110 10 0 CGAELP Cc1[nH]c(C[NH2+][C@@H](c2ccc(F)cc2)C(C)C)c[nH+]1 ZINC000054821786 526892091 /nfs/dbraw/zinc/89/20/91/526892091.db2.gz KZMJLYUXSHVYEM-OAHLLOKOSA-N 2 2 261.344 3.344 10 0 CGAELP CCCCCC[N@@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757127974 617754508 /nfs/dbraw/zinc/75/45/08/617754508.db2.gz IHSBEOMAZMJWOV-MRXNPFEDSA-N 2 2 250.430 3.127 10 0 CGAELP CCCCCC[N@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757127974 617754511 /nfs/dbraw/zinc/75/45/11/617754511.db2.gz IHSBEOMAZMJWOV-MRXNPFEDSA-N 2 2 250.430 3.127 10 0 CGAELP c1ccc2[nH+]c(CCNc3[nH]c4ccccc4[nH+]3)[nH]c2c1 ZINC000041604276 344972376 /nfs/dbraw/zinc/97/23/76/344972376.db2.gz FTQZSPTWZMQEDG-UHFFFAOYSA-N 2 2 277.331 3.094 10 0 CGAELP CCCc1[nH+]c2ccccc2n1CCC1CC[NH2+]CC1 ZINC000168803389 346191106 /nfs/dbraw/zinc/19/11/06/346191106.db2.gz YVZIZQINHAKSSW-UHFFFAOYSA-N 2 2 271.408 3.379 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3c(OC)cccc32)C1 ZINC000194861477 346272384 /nfs/dbraw/zinc/27/23/84/346272384.db2.gz JFFXEGLEKMVXOU-WMLDXEAASA-N 2 2 288.435 3.147 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3c(OC)cccc32)C1 ZINC000194861477 346272389 /nfs/dbraw/zinc/27/23/89/346272389.db2.gz JFFXEGLEKMVXOU-WMLDXEAASA-N 2 2 288.435 3.147 10 0 CGAELP Cc1[nH+]cccc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000091495838 138344418 /nfs/dbraw/zinc/34/44/18/138344418.db2.gz IOYCCOFVVCZBRK-UHFFFAOYSA-N 2 2 281.403 3.467 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](C)c1ccccc1 ZINC000178331588 189107504 /nfs/dbraw/zinc/10/75/04/189107504.db2.gz NVBANZWJEDQYRC-CRAIPNDOSA-N 2 2 283.419 3.460 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](C)c1ccccc1 ZINC000178331588 189107505 /nfs/dbraw/zinc/10/75/05/189107505.db2.gz NVBANZWJEDQYRC-CRAIPNDOSA-N 2 2 283.419 3.460 10 0 CGAELP Cc1cc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)c2cccc(F)c2[nH+]1 ZINC000301682355 201135555 /nfs/dbraw/zinc/13/55/55/201135555.db2.gz SLWSRLVBFXGSEP-BDJLRTHQSA-N 2 2 287.382 3.069 10 0 CGAELP CCOc1ccc([C@H](C[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000022854014 368812546 /nfs/dbraw/zinc/81/25/46/368812546.db2.gz ZJYXNAAZHPSOBU-VBQJREDUSA-N 2 2 276.424 3.063 10 0 CGAELP CCOc1ccc([C@H](C[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000022854014 368812550 /nfs/dbraw/zinc/81/25/50/368812550.db2.gz ZJYXNAAZHPSOBU-VBQJREDUSA-N 2 2 276.424 3.063 10 0 CGAELP c1csc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812914 370104075 /nfs/dbraw/zinc/10/40/75/370104075.db2.gz AOAKIOBWKJEWMW-CYBMUJFWSA-N 2 2 273.405 3.077 10 0 CGAELP c1csc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812914 370104078 /nfs/dbraw/zinc/10/40/78/370104078.db2.gz AOAKIOBWKJEWMW-CYBMUJFWSA-N 2 2 273.405 3.077 10 0 CGAELP C[C@H]([NH2+][C@@H](C)c1cnccn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151686167 371625664 /nfs/dbraw/zinc/62/56/64/371625664.db2.gz LDVQPIPMDXEGEK-KBPBESRZSA-N 2 2 293.374 3.074 10 0 CGAELP CC(C)[C@@H]([NH3+])CCN(C)c1[nH+]ccc2ccccc21 ZINC000168740876 372617202 /nfs/dbraw/zinc/61/72/02/372617202.db2.gz UGVQDOSFOCLTAY-HNNXBMFYSA-N 2 2 257.381 3.044 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)Cc2ccc(Cl)cc2)C1 ZINC000300415192 373632883 /nfs/dbraw/zinc/63/28/83/373632883.db2.gz SMWUFGCMQJOHQX-CZUORRHYSA-N 2 2 280.843 3.345 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)Cc2ccc(Cl)cc2)C1 ZINC000300415192 373632890 /nfs/dbraw/zinc/63/28/90/373632890.db2.gz SMWUFGCMQJOHQX-CZUORRHYSA-N 2 2 280.843 3.345 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(C)sc2C)C1 ZINC000328289189 374363635 /nfs/dbraw/zinc/36/36/35/374363635.db2.gz UIACBGCHDINOGO-YPMHNXCESA-N 2 2 252.427 3.110 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(C)sc2C)C1 ZINC000328289189 374363641 /nfs/dbraw/zinc/36/36/41/374363641.db2.gz UIACBGCHDINOGO-YPMHNXCESA-N 2 2 252.427 3.110 10 0 CGAELP COc1ccc([C@@H]2C[C@@H](C)[N@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000183180339 374382725 /nfs/dbraw/zinc/38/27/25/374382725.db2.gz HPARXYTXXYNSKR-NVXWUHKLSA-N 2 2 299.418 3.160 10 0 CGAELP COc1ccc([C@@H]2C[C@@H](C)[N@@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000183180339 374382728 /nfs/dbraw/zinc/38/27/28/374382728.db2.gz HPARXYTXXYNSKR-NVXWUHKLSA-N 2 2 299.418 3.160 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000184669143 374550951 /nfs/dbraw/zinc/55/09/51/374550951.db2.gz JWLWWLSANYDHQA-GJZGRUSLSA-N 2 2 291.439 3.040 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000184669143 374550957 /nfs/dbraw/zinc/55/09/57/374550957.db2.gz JWLWWLSANYDHQA-GJZGRUSLSA-N 2 2 291.439 3.040 10 0 CGAELP CSc1ccc([C@@H](C[NH3+])[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000216068789 376157038 /nfs/dbraw/zinc/15/70/38/376157038.db2.gz DQVHZDVWLWKHJE-IUODEOHRSA-N 2 2 264.438 3.140 10 0 CGAELP CSc1ccc([C@@H](C[NH3+])[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000216068789 376157042 /nfs/dbraw/zinc/15/70/42/376157042.db2.gz DQVHZDVWLWKHJE-IUODEOHRSA-N 2 2 264.438 3.140 10 0 CGAELP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000222158325 376231490 /nfs/dbraw/zinc/23/14/90/376231490.db2.gz FLNRJJGHQITCMB-KZNAEPCWSA-N 2 2 272.436 3.429 10 0 CGAELP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000222158325 376231495 /nfs/dbraw/zinc/23/14/95/376231495.db2.gz FLNRJJGHQITCMB-KZNAEPCWSA-N 2 2 272.436 3.429 10 0 CGAELP C[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000245556747 376852942 /nfs/dbraw/zinc/85/29/42/376852942.db2.gz ANXSIEGPBMPPLE-BLLLJJGKSA-N 2 2 291.345 3.244 10 0 CGAELP C[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000245556747 376852947 /nfs/dbraw/zinc/85/29/47/376852947.db2.gz ANXSIEGPBMPPLE-BLLLJJGKSA-N 2 2 291.345 3.244 10 0 CGAELP Cc1cccc([C@H](C)[NH2+][C@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000246240077 376995817 /nfs/dbraw/zinc/99/58/17/376995817.db2.gz NVNSLHFTYUWQPR-VYDXJSESSA-N 2 2 260.425 3.374 10 0 CGAELP Cc1cccc([C@H](C)[NH2+][C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000246240077 376995821 /nfs/dbraw/zinc/99/58/21/376995821.db2.gz NVNSLHFTYUWQPR-VYDXJSESSA-N 2 2 260.425 3.374 10 0 CGAELP CC[C@@H](C)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000249500195 377508303 /nfs/dbraw/zinc/50/83/03/377508303.db2.gz HNACVIWBZVQBOE-HIFRSBDPSA-N 2 2 295.496 3.251 10 0 CGAELP CC[C@@H](C)C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000249500195 377508312 /nfs/dbraw/zinc/50/83/12/377508312.db2.gz HNACVIWBZVQBOE-HIFRSBDPSA-N 2 2 295.496 3.251 10 0 CGAELP CC[C@@H](C)C[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000249500195 377508318 /nfs/dbraw/zinc/50/83/18/377508318.db2.gz HNACVIWBZVQBOE-HIFRSBDPSA-N 2 2 295.496 3.251 10 0 CGAELP CC[C@@H](C)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000249500195 377508326 /nfs/dbraw/zinc/50/83/26/377508326.db2.gz HNACVIWBZVQBOE-HIFRSBDPSA-N 2 2 295.496 3.251 10 0 CGAELP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000400362524 379949994 /nfs/dbraw/zinc/94/99/94/379949994.db2.gz QKTIBAGCYUHIPH-GYSYKLTISA-N 2 2 297.240 3.240 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C1CCC(F)(F)CC1 ZINC000647287649 392639422 /nfs/dbraw/zinc/63/94/22/392639422.db2.gz OIWLXAGLADQWDO-CYBMUJFWSA-N 2 2 262.388 3.130 10 0 CGAELP C[N@H+](Cc1cc(Cl)ccc1Cl)CC(C)(C)C[NH3+] ZINC000093873957 165337972 /nfs/dbraw/zinc/33/79/72/165337972.db2.gz SYNUVHUKIMDUTL-UHFFFAOYSA-N 2 2 275.223 3.410 10 0 CGAELP C[N@@H+](Cc1cc(Cl)ccc1Cl)CC(C)(C)C[NH3+] ZINC000093873957 165337974 /nfs/dbraw/zinc/33/79/74/165337974.db2.gz SYNUVHUKIMDUTL-UHFFFAOYSA-N 2 2 275.223 3.410 10 0 CGAELP CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC000116386598 287157318 /nfs/dbraw/zinc/15/73/18/287157318.db2.gz BYHFLDRWJKVNGK-IRXDYDNUSA-N 2 2 260.425 3.082 10 0 CGAELP CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC000116386598 287157320 /nfs/dbraw/zinc/15/73/20/287157320.db2.gz BYHFLDRWJKVNGK-IRXDYDNUSA-N 2 2 260.425 3.082 10 0 CGAELP CC[NH+](CC)CC[NH2+][C@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000020551095 171247090 /nfs/dbraw/zinc/24/70/90/171247090.db2.gz KAJAXUBUGADNIS-XHSDSOJGSA-N 2 2 254.462 3.379 10 0 CGAELP CC[NH+](CC)CC[NH2+][C@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000020551099 171247162 /nfs/dbraw/zinc/24/71/62/171247162.db2.gz KAJAXUBUGADNIS-OAGGEKHMSA-N 2 2 254.462 3.379 10 0 CGAELP CC[N@H+]([C@@H](C[NH3+])c1cccs1)C1CCCCC1 ZINC000022173187 171368484 /nfs/dbraw/zinc/36/84/84/171368484.db2.gz PFJWTWBDBAFBGT-ZDUSSCGKSA-N 2 2 252.427 3.403 10 0 CGAELP CC[N@@H+]([C@@H](C[NH3+])c1cccs1)C1CCCCC1 ZINC000022173187 171368487 /nfs/dbraw/zinc/36/84/87/171368487.db2.gz PFJWTWBDBAFBGT-ZDUSSCGKSA-N 2 2 252.427 3.403 10 0 CGAELP C[N@H+]([C@H](C[NH3+])c1cccc(F)c1)C1CCCCC1 ZINC000022212945 171374368 /nfs/dbraw/zinc/37/43/68/171374368.db2.gz NAUZHBNJVUWNMZ-OAHLLOKOSA-N 2 2 250.361 3.090 10 0 CGAELP C[N@@H+]([C@H](C[NH3+])c1cccc(F)c1)C1CCCCC1 ZINC000022212945 171374369 /nfs/dbraw/zinc/37/43/69/171374369.db2.gz NAUZHBNJVUWNMZ-OAHLLOKOSA-N 2 2 250.361 3.090 10 0 CGAELP CC[NH+]1CCC([NH2+][C@H]2CSCc3ccccc32)CC1 ZINC000038098212 174113408 /nfs/dbraw/zinc/11/34/08/174113408.db2.gz COOLYSXRDKAWMS-INIZCTEOSA-N 2 2 276.449 3.048 10 0 CGAELP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC000071309368 176116731 /nfs/dbraw/zinc/11/67/31/176116731.db2.gz BHYMPEUCQRAOCA-GXFFZTMASA-N 2 2 272.314 3.060 10 0 CGAELP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC000071309368 176116733 /nfs/dbraw/zinc/11/67/33/176116733.db2.gz BHYMPEUCQRAOCA-GXFFZTMASA-N 2 2 272.314 3.060 10 0 CGAELP CCC[N@H+]([C@@H]1CC[NH2+]C1)[C@@H]1CCSc2ccccc21 ZINC000071314738 176121150 /nfs/dbraw/zinc/12/11/50/176121150.db2.gz YDKSRGZYUCNJEO-UKRRQHHQSA-N 2 2 276.449 3.297 10 0 CGAELP CCC[N@@H+]([C@@H]1CC[NH2+]C1)[C@@H]1CCSc2ccccc21 ZINC000071314738 176121152 /nfs/dbraw/zinc/12/11/52/176121152.db2.gz YDKSRGZYUCNJEO-UKRRQHHQSA-N 2 2 276.449 3.297 10 0 CGAELP Cc1ccccc1CCc1[nH]c2cc(C[NH3+])ccc2[nH+]1 ZINC000071597905 176221540 /nfs/dbraw/zinc/22/15/40/176221540.db2.gz IWINEQHSGWXTMK-UHFFFAOYSA-N 2 2 265.360 3.115 10 0 CGAELP COc1ccc([C@@H](C)[NH2+][C@H](CC(C)C)C[NH+](C)C)cc1 ZINC000037167130 270028712 /nfs/dbraw/zinc/02/87/12/270028712.db2.gz UAZVALKDDXIPDG-GDBMZVCRSA-N 2 2 278.440 3.322 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CCc2ccccc21 ZINC000037167134 270028899 /nfs/dbraw/zinc/02/88/99/270028899.db2.gz VTZKDXNBOBPIOO-WBVHZDCISA-N 2 2 260.425 3.240 10 0 CGAELP CC[C@H]([NH2+][C@H](C[NH+](C)C)c1ccccc1)[C@@H]1C[C@H]1C ZINC000321173131 270093214 /nfs/dbraw/zinc/09/32/14/270093214.db2.gz YPPYYPVPWXOWSL-MXASKKJJSA-N 2 2 260.425 3.314 10 0 CGAELP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c(C)s1 ZINC000396666849 288015072 /nfs/dbraw/zinc/01/50/72/288015072.db2.gz PDJHXAPMSARHFX-MISXGVKJSA-N 2 2 252.427 3.156 10 0 CGAELP CC[C@@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)c1ccsc1 ZINC000382060564 336081184 /nfs/dbraw/zinc/08/11/84/336081184.db2.gz AODYNJRZTMJSLK-ZIAGYGMSSA-N 2 2 252.427 3.273 10 0 CGAELP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)c1ccsc1 ZINC000382060564 336081186 /nfs/dbraw/zinc/08/11/86/336081186.db2.gz AODYNJRZTMJSLK-ZIAGYGMSSA-N 2 2 252.427 3.273 10 0 CGAELP CC[NH2+]C[C@H](C(C)C)[N@H+](Cc1cccs1)C1CC1 ZINC000052370599 519958091 /nfs/dbraw/zinc/95/80/91/519958091.db2.gz ZQQODKFVBVYLLM-OAHLLOKOSA-N 2 2 266.454 3.347 10 0 CGAELP CC[NH2+]C[C@H](C(C)C)[N@@H+](Cc1cccs1)C1CC1 ZINC000052370599 519958098 /nfs/dbraw/zinc/95/80/98/519958098.db2.gz ZQQODKFVBVYLLM-OAHLLOKOSA-N 2 2 266.454 3.347 10 0 CGAELP CC(C)C[NH2+]C[C@H](C(C)C)[N@@H+]1CCc2sccc2C1 ZINC000052382852 519745565 /nfs/dbraw/zinc/74/55/65/519745565.db2.gz CRWYKANSBGRHIN-OAHLLOKOSA-N 2 2 280.481 3.376 10 0 CGAELP CC(C)C[NH2+]C[C@H](C(C)C)[N@H+]1CCc2sccc2C1 ZINC000052382852 519745566 /nfs/dbraw/zinc/74/55/66/519745566.db2.gz CRWYKANSBGRHIN-OAHLLOKOSA-N 2 2 280.481 3.376 10 0 CGAELP CCC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccc(C)s2)C1 ZINC000049183949 520025583 /nfs/dbraw/zinc/02/55/83/520025583.db2.gz JCUODNGBIFOPIF-QWHCGFSZSA-N 2 2 252.427 3.191 10 0 CGAELP CCC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccc(C)s2)C1 ZINC000049183949 520025587 /nfs/dbraw/zinc/02/55/87/520025587.db2.gz JCUODNGBIFOPIF-QWHCGFSZSA-N 2 2 252.427 3.191 10 0 CGAELP CCc1[nH+]c2ccccc2n1CCCC[NH2+]C(C)C ZINC000062808139 522502222 /nfs/dbraw/zinc/50/22/22/522502222.db2.gz VDMULFLRGPCVMU-UHFFFAOYSA-N 2 2 259.397 3.377 10 0 CGAELP C[C@@H]([C@@H]([NH3+])c1ccccc1)[NH+]1Cc2ccccc2C1 ZINC000050911009 526019481 /nfs/dbraw/zinc/01/94/81/526019481.db2.gz HWEZKSGZIPKPRT-SUMWQHHRSA-N 2 2 252.361 3.091 10 0 CGAELP C[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000049713895 526037354 /nfs/dbraw/zinc/03/73/54/526037354.db2.gz HYCYPPCYDDBYTF-SUNKGSAMSA-N 2 2 297.240 3.322 10 0 CGAELP C[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000049713895 526037362 /nfs/dbraw/zinc/03/73/62/526037362.db2.gz HYCYPPCYDDBYTF-SUNKGSAMSA-N 2 2 297.240 3.322 10 0 CGAELP c1cc(C[NH2+]C2[C@@H]3C[C@H]2C[N@@H+](Cc2ccccc2)C3)cs1 ZINC000399603812 572529587 /nfs/dbraw/zinc/52/95/87/572529587.db2.gz DKDAOFCWHXCTMA-JWTNVVGKSA-N 2 2 298.455 3.358 10 0 CGAELP c1cc(C[NH2+]C2[C@@H]3C[C@H]2C[N@H+](Cc2ccccc2)C3)cs1 ZINC000399603812 572529591 /nfs/dbraw/zinc/52/95/91/572529591.db2.gz DKDAOFCWHXCTMA-JWTNVVGKSA-N 2 2 298.455 3.358 10 0 CGAELP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccc(F)c(Cl)c1 ZINC000358384377 290026959 /nfs/dbraw/zinc/02/69/59/290026959.db2.gz QEMFZLCWPUQAML-PKFCDNJMSA-N 2 2 270.779 3.080 10 0 CGAELP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(F)c(Cl)c1 ZINC000358384377 290026960 /nfs/dbraw/zinc/02/69/60/290026960.db2.gz QEMFZLCWPUQAML-PKFCDNJMSA-N 2 2 270.779 3.080 10 0 CGAELP Cc1cc2ccccc2[nH+]c1NCC1(C)CC[NH2+]CC1 ZINC000129454494 346049549 /nfs/dbraw/zinc/04/95/49/346049549.db2.gz ATHVCGCQWIOUQB-UHFFFAOYSA-N 2 2 269.392 3.345 10 0 CGAELP CCOc1ccccc1[C@H](C[NH3+])[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022853968 368813095 /nfs/dbraw/zinc/81/30/95/368813095.db2.gz BMBPIZPLSGZGKK-LZWOXQAQSA-N 2 2 276.424 3.063 10 0 CGAELP CCOc1ccccc1[C@H](C[NH3+])[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022853968 368813098 /nfs/dbraw/zinc/81/30/98/368813098.db2.gz BMBPIZPLSGZGKK-LZWOXQAQSA-N 2 2 276.424 3.063 10 0 CGAELP Cc1cc(C)cc(C[NH2+][C@H](CC(C)C)C[NH+](C)C)c1 ZINC000042323082 369213845 /nfs/dbraw/zinc/21/38/45/369213845.db2.gz ONALFHGEBSVDFA-QGZVFWFLSA-N 2 2 262.441 3.369 10 0 CGAELP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc2ccccc2c1 ZINC000112337912 370420398 /nfs/dbraw/zinc/42/03/98/370420398.db2.gz MACFJLVZWRQISQ-LBPRGKRZSA-N 2 2 251.333 3.414 10 0 CGAELP COCCC[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000178125325 373746710 /nfs/dbraw/zinc/74/67/10/373746710.db2.gz TUYYFBBNEFUEEY-CABCVRRESA-N 2 2 287.407 3.338 10 0 CGAELP C[C@@H]1CCC[N@@H+]1C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000301868797 373810722 /nfs/dbraw/zinc/81/07/22/373810722.db2.gz HZFJKQVHQPAPDU-CYBMUJFWSA-N 2 2 284.407 3.016 10 0 CGAELP C[C@@H]1CCC[N@H+]1C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000301868797 373810731 /nfs/dbraw/zinc/81/07/31/373810731.db2.gz HZFJKQVHQPAPDU-CYBMUJFWSA-N 2 2 284.407 3.016 10 0 CGAELP Cc1nc([C@H]2CCC[N@@H+]2CCC[NH+]2CCCC2)cs1 ZINC000189758998 375444438 /nfs/dbraw/zinc/44/44/38/375444438.db2.gz SXLZEHUEEVXUCB-OAHLLOKOSA-N 2 2 279.453 3.074 10 0 CGAELP Cc1nc([C@H]2CCC[N@H+]2CCC[NH+]2CCCC2)cs1 ZINC000189758998 375444439 /nfs/dbraw/zinc/44/44/39/375444439.db2.gz SXLZEHUEEVXUCB-OAHLLOKOSA-N 2 2 279.453 3.074 10 0 CGAELP COc1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)ccc1C ZINC000194043055 375952332 /nfs/dbraw/zinc/95/23/32/375952332.db2.gz LSZYHNDQBCYFTK-KRWDZBQOSA-N 2 2 299.418 3.173 10 0 CGAELP COc1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)ccc1C ZINC000194043055 375952341 /nfs/dbraw/zinc/95/23/41/375952341.db2.gz LSZYHNDQBCYFTK-KRWDZBQOSA-N 2 2 299.418 3.173 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000229633488 376467188 /nfs/dbraw/zinc/46/71/88/376467188.db2.gz GJROMBXXBJKVJP-MRXNPFEDSA-N 2 2 273.424 3.234 10 0 CGAELP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@@H](C)C1 ZINC000246809901 377094852 /nfs/dbraw/zinc/09/48/52/377094852.db2.gz TWSKYGUMWBBVPN-CABCVRRESA-N 2 2 284.407 3.135 10 0 CGAELP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@@H](C)C1 ZINC000246809901 377094858 /nfs/dbraw/zinc/09/48/58/377094858.db2.gz TWSKYGUMWBBVPN-CABCVRRESA-N 2 2 284.407 3.135 10 0 CGAELP CCOc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000246819088 377096629 /nfs/dbraw/zinc/09/66/29/377096629.db2.gz RHRPKNKQEMCXDS-YJBOKZPZSA-N 2 2 299.418 3.365 10 0 CGAELP CCOc1cccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000246819088 377096639 /nfs/dbraw/zinc/09/66/39/377096639.db2.gz RHRPKNKQEMCXDS-YJBOKZPZSA-N 2 2 299.418 3.365 10 0 CGAELP COc1cccc([C@@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000247279788 377188070 /nfs/dbraw/zinc/18/80/70/377188070.db2.gz XGPATIPEMBATDQ-PBHICJAKSA-N 2 2 299.418 3.426 10 0 CGAELP COc1cccc([C@@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000247279788 377188074 /nfs/dbraw/zinc/18/80/74/377188074.db2.gz XGPATIPEMBATDQ-PBHICJAKSA-N 2 2 299.418 3.426 10 0 CGAELP CCOc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248180829 377276989 /nfs/dbraw/zinc/27/69/89/377276989.db2.gz WKGJKNCIAUJKEM-DOTOQJQBSA-N 2 2 288.435 3.001 10 0 CGAELP CCOc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248180829 377277001 /nfs/dbraw/zinc/27/70/01/377277001.db2.gz WKGJKNCIAUJKEM-DOTOQJQBSA-N 2 2 288.435 3.001 10 0 CGAELP CCOc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248180829 377277012 /nfs/dbraw/zinc/27/70/12/377277012.db2.gz WKGJKNCIAUJKEM-DOTOQJQBSA-N 2 2 288.435 3.001 10 0 CGAELP CCOc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248180829 377277022 /nfs/dbraw/zinc/27/70/22/377277022.db2.gz WKGJKNCIAUJKEM-DOTOQJQBSA-N 2 2 288.435 3.001 10 0 CGAELP COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1C ZINC000248750966 377395705 /nfs/dbraw/zinc/39/57/05/377395705.db2.gz BYQRFUFLAXCQOE-YOEHRIQHSA-N 2 2 299.418 3.283 10 0 CGAELP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1C ZINC000248750966 377395717 /nfs/dbraw/zinc/39/57/17/377395717.db2.gz BYQRFUFLAXCQOE-YOEHRIQHSA-N 2 2 299.418 3.283 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCSc3ccccc32)C1 ZINC000249614919 377518735 /nfs/dbraw/zinc/51/87/35/377518735.db2.gz SXRGXKTZQSKOEK-HIFRSBDPSA-N 2 2 276.449 3.297 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCSc3ccccc32)C1 ZINC000249614919 377518747 /nfs/dbraw/zinc/51/87/47/377518747.db2.gz SXRGXKTZQSKOEK-HIFRSBDPSA-N 2 2 276.449 3.297 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)c(F)c2)C1 ZINC000389295870 379896153 /nfs/dbraw/zinc/89/61/53/379896153.db2.gz YPFVGMNPCWPHFP-JQWIXIFHSA-N 2 2 270.779 3.224 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)c(F)c2)C1 ZINC000389295870 379896158 /nfs/dbraw/zinc/89/61/58/379896158.db2.gz YPFVGMNPCWPHFP-JQWIXIFHSA-N 2 2 270.779 3.224 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2C(F)(F)F)C1 ZINC000389417034 379899136 /nfs/dbraw/zinc/89/91/36/379899136.db2.gz UKGOOQTZNLPYCH-NEPJUHHUSA-N 2 2 286.341 3.450 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2C(F)(F)F)C1 ZINC000389417034 379899143 /nfs/dbraw/zinc/89/91/43/379899143.db2.gz UKGOOQTZNLPYCH-NEPJUHHUSA-N 2 2 286.341 3.450 10 0 CGAELP Clc1ccsc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000194482416 542276208 /nfs/dbraw/zinc/27/62/08/542276208.db2.gz DYUQGSLUKAPIFY-LLVKDONJSA-N 2 2 281.812 3.263 10 0 CGAELP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)C1 ZINC000226704866 542292141 /nfs/dbraw/zinc/29/21/41/542292141.db2.gz MKTGHRLOPCKVSD-SOUVJXGZSA-N 2 2 252.446 3.275 10 0 CGAELP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)C1 ZINC000226704866 542292146 /nfs/dbraw/zinc/29/21/46/542292146.db2.gz MKTGHRLOPCKVSD-SOUVJXGZSA-N 2 2 252.446 3.275 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCOc3cc(C)ccc32)C1 ZINC000133011273 285268663 /nfs/dbraw/zinc/26/86/63/285268663.db2.gz YHQQHSJRXAIWDA-DOTOQJQBSA-N 2 2 288.435 3.283 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCOc3cc(C)ccc32)C1 ZINC000133011273 285268666 /nfs/dbraw/zinc/26/86/66/285268666.db2.gz YHQQHSJRXAIWDA-DOTOQJQBSA-N 2 2 288.435 3.283 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000106217652 392299982 /nfs/dbraw/zinc/29/99/82/392299982.db2.gz XHORKXCIRSUCNO-MRXNPFEDSA-N 2 2 269.392 3.283 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000106217652 392299990 /nfs/dbraw/zinc/29/99/90/392299990.db2.gz XHORKXCIRSUCNO-MRXNPFEDSA-N 2 2 269.392 3.283 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000106212484 392300028 /nfs/dbraw/zinc/30/00/28/392300028.db2.gz XNZGEVFKWYVTDF-HNNXBMFYSA-N 2 2 287.382 3.422 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000106212484 392300035 /nfs/dbraw/zinc/30/00/35/392300035.db2.gz XNZGEVFKWYVTDF-HNNXBMFYSA-N 2 2 287.382 3.422 10 0 CGAELP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccc2ccccc2c1 ZINC000675725845 543358216 /nfs/dbraw/zinc/35/82/16/543358216.db2.gz LNMBKSKARDVNRH-QWQRMKEZSA-N 2 2 268.404 3.441 10 0 CGAELP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccc2ccccc2c1 ZINC000675725845 543358218 /nfs/dbraw/zinc/35/82/18/543358218.db2.gz LNMBKSKARDVNRH-QWQRMKEZSA-N 2 2 268.404 3.441 10 0 CGAELP Cc1cccc(C[N@@H+](C)[C@H](C[NH3+])c2ccccc2)c1 ZINC000020225371 171088032 /nfs/dbraw/zinc/08/80/32/171088032.db2.gz CVAVLIQHOFKRCI-QGZVFWFLSA-N 2 2 254.377 3.127 10 0 CGAELP Cc1cccc(C[N@H+](C)[C@H](C[NH3+])c2ccccc2)c1 ZINC000020225371 171088034 /nfs/dbraw/zinc/08/80/34/171088034.db2.gz CVAVLIQHOFKRCI-QGZVFWFLSA-N 2 2 254.377 3.127 10 0 CGAELP CCCC[NH+](CCCC)[C@@H](C[NH3+])c1ccc(C)o1 ZINC000020484749 171224688 /nfs/dbraw/zinc/22/46/88/171224688.db2.gz SNWIAMHJWUKRBM-AWEZNQCLSA-N 2 2 252.402 3.490 10 0 CGAELP CC[NH+](CC)CC[NH2+]C[C@H]1CCCc2ccccc21 ZINC000022042359 171350288 /nfs/dbraw/zinc/35/02/88/171350288.db2.gz GJANTPSJGSXSDO-MRXNPFEDSA-N 2 2 260.425 3.038 10 0 CGAELP COc1ccc2cc([C@@H](C[NH3+])[N@H+](C)C(C)C)ccc2c1 ZINC000022170276 171367649 /nfs/dbraw/zinc/36/76/49/171367649.db2.gz RONXEVZILSLSFC-QGZVFWFLSA-N 2 2 272.392 3.188 10 0 CGAELP COc1ccc2cc([C@@H](C[NH3+])[N@@H+](C)C(C)C)ccc2c1 ZINC000022170276 171367650 /nfs/dbraw/zinc/36/76/50/171367650.db2.gz RONXEVZILSLSFC-QGZVFWFLSA-N 2 2 272.392 3.188 10 0 CGAELP CC[N@H+]([C@@H](C[NH3+])c1ccsc1)C1CCCCC1 ZINC000022176845 171370730 /nfs/dbraw/zinc/37/07/30/171370730.db2.gz LVNRFFFKNFVDID-AWEZNQCLSA-N 2 2 252.427 3.403 10 0 CGAELP CC[N@@H+]([C@@H](C[NH3+])c1ccsc1)C1CCCCC1 ZINC000022176845 171370731 /nfs/dbraw/zinc/37/07/31/171370731.db2.gz LVNRFFFKNFVDID-AWEZNQCLSA-N 2 2 252.427 3.403 10 0 CGAELP CCC[NH+](CCC)[C@H](C[NH3+])c1ccc(F)cc1F ZINC000022214229 171374943 /nfs/dbraw/zinc/37/49/43/171374943.db2.gz XUKPJRGYXRWWAJ-CQSZACIVSA-N 2 2 256.340 3.087 10 0 CGAELP C[N@H+](Cc1cccs1)[C@@H](C[NH3+])C1CCCCC1 ZINC000035716912 172370859 /nfs/dbraw/zinc/37/08/59/172370859.db2.gz XDRIINSKXDMGJW-AWEZNQCLSA-N 2 2 252.427 3.088 10 0 CGAELP C[N@@H+](Cc1cccs1)[C@@H](C[NH3+])C1CCCCC1 ZINC000035716912 172370860 /nfs/dbraw/zinc/37/08/60/172370860.db2.gz XDRIINSKXDMGJW-AWEZNQCLSA-N 2 2 252.427 3.088 10 0 CGAELP C[N@H+](Cc1ccsc1)[C@@H](C[NH3+])C1CCCCC1 ZINC000035718757 172373575 /nfs/dbraw/zinc/37/35/75/172373575.db2.gz IDJMAFKEMYBZMW-AWEZNQCLSA-N 2 2 252.427 3.088 10 0 CGAELP C[N@@H+](Cc1ccsc1)[C@@H](C[NH3+])C1CCCCC1 ZINC000035718757 172373576 /nfs/dbraw/zinc/37/35/76/172373576.db2.gz IDJMAFKEMYBZMW-AWEZNQCLSA-N 2 2 252.427 3.088 10 0 CGAELP C[N@H+](CC(C)(C)C)[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000045065486 175299626 /nfs/dbraw/zinc/29/96/26/175299626.db2.gz RLKZWIYFSYLNJQ-SECBINFHSA-N 2 2 260.834 3.379 10 0 CGAELP C[N@@H+](CC(C)(C)C)[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000045065486 175299627 /nfs/dbraw/zinc/29/96/27/175299627.db2.gz RLKZWIYFSYLNJQ-SECBINFHSA-N 2 2 260.834 3.379 10 0 CGAELP Cc1[nH+]cc(C[NH2+]CC2CCC(C(F)(F)F)CC2)n1C ZINC000657382273 419265609 /nfs/dbraw/zinc/26/56/09/419265609.db2.gz JOBZSAWMMSIBRE-UHFFFAOYSA-N 2 2 289.345 3.187 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)CCc2cccc(C)c2)C1 ZINC000250326593 270091270 /nfs/dbraw/zinc/09/12/70/270091270.db2.gz NXGUOQJXUXFKJH-SJLPKXTDSA-N 2 2 274.452 3.390 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)CCc2cccc(C)c2)C1 ZINC000250326593 270091271 /nfs/dbraw/zinc/09/12/71/270091271.db2.gz NXGUOQJXUXFKJH-SJLPKXTDSA-N 2 2 274.452 3.390 10 0 CGAELP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000524771220 270115059 /nfs/dbraw/zinc/11/50/59/270115059.db2.gz ZEJZZEBTNBINCB-QLFBSQMISA-N 2 2 252.446 3.133 10 0 CGAELP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000524771220 270115060 /nfs/dbraw/zinc/11/50/60/270115060.db2.gz ZEJZZEBTNBINCB-QLFBSQMISA-N 2 2 252.446 3.133 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3cc(OC)ccc32)C1 ZINC000040502406 276167835 /nfs/dbraw/zinc/16/78/35/276167835.db2.gz VBRHFXKEJPQZLH-CRAIPNDOSA-N 2 2 288.435 3.147 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3cc(OC)ccc32)C1 ZINC000040502406 276167838 /nfs/dbraw/zinc/16/78/38/276167838.db2.gz VBRHFXKEJPQZLH-CRAIPNDOSA-N 2 2 288.435 3.147 10 0 CGAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1cccc(OC(F)F)c1 ZINC000396543450 288013753 /nfs/dbraw/zinc/01/37/53/288013753.db2.gz BGTVIFBFUHMJDV-WDMOLILDSA-N 2 2 284.350 3.079 10 0 CGAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1ccc(Br)cc1 ZINC000396620711 288014655 /nfs/dbraw/zinc/01/46/55/288014655.db2.gz IUAPBOZMMNQSCW-MISXGVKJSA-N 2 2 297.240 3.240 10 0 CGAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1ccccc1Cl ZINC000396674972 288015418 /nfs/dbraw/zinc/01/54/18/288015418.db2.gz SHNFLJMCSGFVKU-COPLHBTASA-N 2 2 252.789 3.131 10 0 CGAELP CC[NH2+][C@H]1CCCCC[C@H]1[NH+]1CCC(C)(C)CC1 ZINC000061819859 520213929 /nfs/dbraw/zinc/21/39/29/520213929.db2.gz ODTNJDPXJNOGOY-LSDHHAIUSA-N 2 2 252.446 3.419 10 0 CGAELP CCCC1CC[NH+]([C@@H]2CCCCC[C@H]2[NH2+]C)CC1 ZINC000050893441 519903220 /nfs/dbraw/zinc/90/32/20/519903220.db2.gz MRXQETWLIFGECC-HZPDHXFCSA-N 2 2 252.446 3.419 10 0 CGAELP CCCCC[C@H](C)[NH2+]CC[N@H+](CCOC)[C@@H](C)CC ZINC000053440522 520308679 /nfs/dbraw/zinc/30/86/79/520308679.db2.gz SOQVSGBVMBASQT-HOTGVXAUSA-N 2 2 272.477 3.292 10 0 CGAELP CCCCC[C@H](C)[NH2+]CC[N@@H+](CCOC)[C@@H](C)CC ZINC000053440522 520308687 /nfs/dbraw/zinc/30/86/87/520308687.db2.gz SOQVSGBVMBASQT-HOTGVXAUSA-N 2 2 272.477 3.292 10 0 CGAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)C1CCC(C(C)(C)C)CC1 ZINC000054667872 522366123 /nfs/dbraw/zinc/36/61/23/522366123.db2.gz GZGDCNRABFNPGZ-RUXDESIVSA-N 2 2 263.429 3.393 10 0 CGAELP C[C@@H]1[C@@H](C)CCC[N@@H+]1[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000050563415 525641714 /nfs/dbraw/zinc/64/17/14/525641714.db2.gz PLAIWFOJCQRFBG-ZOWXZIJZSA-N 2 2 266.816 3.460 10 0 CGAELP C[C@@H]1[C@@H](C)CCC[N@H+]1[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000050563415 525641719 /nfs/dbraw/zinc/64/17/19/525641719.db2.gz PLAIWFOJCQRFBG-ZOWXZIJZSA-N 2 2 266.816 3.460 10 0 CGAELP CSc1ccc(C[NH2+][C@H](C[NH+](C)C)C(C)C)cc1 ZINC000049197100 526007886 /nfs/dbraw/zinc/00/78/86/526007886.db2.gz WQOTUFNQBNWBNF-OAHLLOKOSA-N 2 2 266.454 3.084 10 0 CGAELP Fc1ccc(/C=C/C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000188401561 542248058 /nfs/dbraw/zinc/24/80/58/542248058.db2.gz IJKSZYMZZFRMDW-DUXHTMCSSA-N 2 2 285.366 3.200 10 0 CGAELP Fc1ccc(/C=C/C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000188401561 542248060 /nfs/dbraw/zinc/24/80/60/542248060.db2.gz IJKSZYMZZFRMDW-DUXHTMCSSA-N 2 2 285.366 3.200 10 0 CGAELP Cc1[nH+]c(C)n2c1[C@H](CCc1cccc(Cl)c1)[NH2+]CC2 ZINC000114154737 345963868 /nfs/dbraw/zinc/96/38/68/345963868.db2.gz LMOMPMRAUMDUNO-HNNXBMFYSA-N 2 2 289.810 3.430 10 0 CGAELP Cc1cc2ccccc2[nH+]c1N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252851248 346392730 /nfs/dbraw/zinc/39/27/30/346392730.db2.gz IAODJBOPUULVFN-HRCADAONSA-N 2 2 281.403 3.107 10 0 CGAELP Cc1sccc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000294434366 199038054 /nfs/dbraw/zinc/03/80/54/199038054.db2.gz XLJWQLXTUXVMOG-HNNXBMFYSA-N 2 2 275.421 3.226 10 0 CGAELP Cc1sccc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000294434366 199038055 /nfs/dbraw/zinc/03/80/55/199038055.db2.gz XLJWQLXTUXVMOG-HNNXBMFYSA-N 2 2 275.421 3.226 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2csc(C)n2)C1 ZINC000120735130 370795134 /nfs/dbraw/zinc/79/51/34/370795134.db2.gz VKSICDWGDYQYLB-AWEZNQCLSA-N 2 2 290.436 3.048 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2csc(C)n2)C1 ZINC000120735130 370795135 /nfs/dbraw/zinc/79/51/35/370795135.db2.gz VKSICDWGDYQYLB-AWEZNQCLSA-N 2 2 290.436 3.048 10 0 CGAELP CSc1ccc([C@H](C[NH3+])[NH+]2CCCCCC2)cc1 ZINC000034938045 368980349 /nfs/dbraw/zinc/98/03/49/368980349.db2.gz IMZUXFITGVEXHV-HNNXBMFYSA-N 2 2 264.438 3.284 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000171746660 372819792 /nfs/dbraw/zinc/81/97/92/372819792.db2.gz PCHVWNBXECCQDG-GJZGRUSLSA-N 2 2 259.397 3.191 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H]2C=CCCC2)C1 ZINC000171746660 372819802 /nfs/dbraw/zinc/81/98/02/372819802.db2.gz PCHVWNBXECCQDG-GJZGRUSLSA-N 2 2 259.397 3.191 10 0 CGAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccoc1 ZINC000178404576 373774741 /nfs/dbraw/zinc/77/47/41/373774741.db2.gz SODJQMNYHDPTCC-VKJFTORMSA-N 2 2 299.418 3.236 10 0 CGAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccoc1 ZINC000178404576 373774750 /nfs/dbraw/zinc/77/47/50/373774750.db2.gz SODJQMNYHDPTCC-VKJFTORMSA-N 2 2 299.418 3.236 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000328513297 374366634 /nfs/dbraw/zinc/36/66/34/374366634.db2.gz OPAQPVGXKZLLFT-HOCLYGCPSA-N 2 2 276.424 3.219 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000328513297 374366639 /nfs/dbraw/zinc/36/66/39/374366639.db2.gz OPAQPVGXKZLLFT-HOCLYGCPSA-N 2 2 276.424 3.219 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2)C1 ZINC000336902388 376026889 /nfs/dbraw/zinc/02/68/89/376026889.db2.gz UKXSGHSZCBSASP-SMDDNHRTSA-N 2 2 297.240 3.194 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2)C1 ZINC000336902388 376026894 /nfs/dbraw/zinc/02/68/94/376026894.db2.gz UKXSGHSZCBSASP-SMDDNHRTSA-N 2 2 297.240 3.194 10 0 CGAELP Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1F ZINC000247062824 377152611 /nfs/dbraw/zinc/15/26/11/377152611.db2.gz VKGAAKDGQLTDEG-DYVFJYSZSA-N 2 2 287.382 3.414 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H]1CCc2ccc(F)cc21 ZINC000247178966 377171551 /nfs/dbraw/zinc/17/15/51/377171551.db2.gz VTSKMNGCCQSBAE-AEFFLSMTSA-N 2 2 299.393 3.483 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H]1CCc2ccc(F)cc21 ZINC000247178966 377171561 /nfs/dbraw/zinc/17/15/61/377171561.db2.gz VTSKMNGCCQSBAE-AEFFLSMTSA-N 2 2 299.393 3.483 10 0 CGAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)Cc2ccccc2F)C1 ZINC000247186209 377174223 /nfs/dbraw/zinc/17/42/23/377174223.db2.gz VMIICBHKMJCQBT-CPUCHLNUSA-N 2 2 278.415 3.075 10 0 CGAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)Cc2ccccc2F)C1 ZINC000247186209 377174226 /nfs/dbraw/zinc/17/42/26/377174226.db2.gz VMIICBHKMJCQBT-CPUCHLNUSA-N 2 2 278.415 3.075 10 0 CGAELP CCc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@@H+](CC)C1 ZINC000389256068 379896035 /nfs/dbraw/zinc/89/60/35/379896035.db2.gz NSBMLVGUUFIEIW-CYBMUJFWSA-N 2 2 272.392 3.179 10 0 CGAELP CCc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@H+](CC)C1 ZINC000389256068 379896041 /nfs/dbraw/zinc/89/60/41/379896041.db2.gz NSBMLVGUUFIEIW-CYBMUJFWSA-N 2 2 272.392 3.179 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cnc3ccsc3c2)C1 ZINC000389478204 379899986 /nfs/dbraw/zinc/89/99/86/379899986.db2.gz WSLLRBXOJKIQFN-YPMHNXCESA-N 2 2 275.421 3.041 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cnc3ccsc3c2)C1 ZINC000389478204 379899995 /nfs/dbraw/zinc/89/99/95/379899995.db2.gz WSLLRBXOJKIQFN-YPMHNXCESA-N 2 2 275.421 3.041 10 0 CGAELP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000400362525 379948963 /nfs/dbraw/zinc/94/89/63/379948963.db2.gz QKTIBAGCYUHIPH-JTNHKYCSSA-N 2 2 297.240 3.240 10 0 CGAELP COc1cccc([C@@H](C)[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000079414149 392220357 /nfs/dbraw/zinc/22/03/57/392220357.db2.gz IZKORKCMOBEUSA-OAHLLOKOSA-N 2 2 288.435 3.316 10 0 CGAELP CCSCC[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000355744202 393337759 /nfs/dbraw/zinc/33/77/59/393337759.db2.gz YIJJPDSGWSGJKU-QGZVFWFLSA-N 2 2 292.492 3.384 10 0 CGAELP CCSCC[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000355744202 393337774 /nfs/dbraw/zinc/33/77/74/393337774.db2.gz YIJJPDSGWSGJKU-QGZVFWFLSA-N 2 2 292.492 3.384 10 0 CGAELP FC1(F)CCCC[C@@H]1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000394658121 397695505 /nfs/dbraw/zinc/69/55/05/397695505.db2.gz NCDLMUIGSZHMDB-RBSFLKMASA-N 2 2 286.410 3.418 10 0 CGAELP FC1(F)CCCC[C@@H]1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000394658121 397695507 /nfs/dbraw/zinc/69/55/07/397695507.db2.gz NCDLMUIGSZHMDB-RBSFLKMASA-N 2 2 286.410 3.418 10 0 CGAELP FC1(F)CCCC[C@@H]1C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000394658109 397695616 /nfs/dbraw/zinc/69/56/16/397695616.db2.gz NCDLMUIGSZHMDB-KFWWJZLASA-N 2 2 286.410 3.418 10 0 CGAELP FC1(F)CCCC[C@@H]1C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000394658109 397695620 /nfs/dbraw/zinc/69/56/20/397695620.db2.gz NCDLMUIGSZHMDB-KFWWJZLASA-N 2 2 286.410 3.418 10 0 CGAELP Cc1cccc(C[N@@H+](C)[C@@H](C[NH3+])c2ccccc2)c1 ZINC000020225370 171088754 /nfs/dbraw/zinc/08/87/54/171088754.db2.gz CVAVLIQHOFKRCI-KRWDZBQOSA-N 2 2 254.377 3.127 10 0 CGAELP Cc1cccc(C[N@H+](C)[C@@H](C[NH3+])c2ccccc2)c1 ZINC000020225370 171088755 /nfs/dbraw/zinc/08/87/55/171088755.db2.gz CVAVLIQHOFKRCI-KRWDZBQOSA-N 2 2 254.377 3.127 10 0 CGAELP Cc1cccc([C@H](C[NH3+])[N@H+](C)CCc2ccccc2)c1 ZINC000020225524 171089031 /nfs/dbraw/zinc/08/90/31/171089031.db2.gz UUFSLRPAVHQCRZ-SFHVURJKSA-N 2 2 268.404 3.169 10 0 CGAELP Cc1cccc([C@H](C[NH3+])[N@@H+](C)CCc2ccccc2)c1 ZINC000020225524 171089034 /nfs/dbraw/zinc/08/90/34/171089034.db2.gz UUFSLRPAVHQCRZ-SFHVURJKSA-N 2 2 268.404 3.169 10 0 CGAELP COc1ccccc1[C@@H](C[NH3+])[N@H+](C)CC1CCCCC1 ZINC000020225784 171090144 /nfs/dbraw/zinc/09/01/44/171090144.db2.gz ANIKGQIDZXMOJX-MRXNPFEDSA-N 2 2 276.424 3.207 10 0 CGAELP COc1ccccc1[C@@H](C[NH3+])[N@@H+](C)CC1CCCCC1 ZINC000020225784 171090145 /nfs/dbraw/zinc/09/01/45/171090145.db2.gz ANIKGQIDZXMOJX-MRXNPFEDSA-N 2 2 276.424 3.207 10 0 CGAELP CCc1ccc([C@@H]([NH3+])C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000021503740 171306961 /nfs/dbraw/zinc/30/69/61/171306961.db2.gz AUEWDBGKBUSOMR-IBGZPJMESA-N 2 2 280.415 3.307 10 0 CGAELP CCc1ccc([C@@H]([NH3+])C[N@H+]2CCc3ccccc3C2)cc1 ZINC000021503740 171306963 /nfs/dbraw/zinc/30/69/63/171306963.db2.gz AUEWDBGKBUSOMR-IBGZPJMESA-N 2 2 280.415 3.307 10 0 CGAELP C[C@@H]1C[C@H]1c1ccc([C@@H](C[NH3+])[NH+]2CCCCCC2)o1 ZINC000022172370 171368990 /nfs/dbraw/zinc/36/89/90/171368990.db2.gz UYHKWWLUYHMWBD-MGPQQGTHSA-N 2 2 262.397 3.279 10 0 CGAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cccc(Br)c1 ZINC000035570167 172265247 /nfs/dbraw/zinc/26/52/47/172265247.db2.gz OLGHWUAQTSPKMJ-LBPRGKRZSA-N 2 2 294.196 3.066 10 0 CGAELP CC1CCC(C[NH3+])([N@H+](C)Cc2ccsc2)CC1 ZINC000035719081 172373512 /nfs/dbraw/zinc/37/35/12/172373512.db2.gz GQOQJIBVDZQDBU-UHFFFAOYSA-N 2 2 252.427 3.088 10 0 CGAELP CC1CCC(C[NH3+])([N@@H+](C)Cc2ccsc2)CC1 ZINC000035719081 172373515 /nfs/dbraw/zinc/37/35/15/172373515.db2.gz GQOQJIBVDZQDBU-UHFFFAOYSA-N 2 2 252.427 3.088 10 0 CGAELP C[C@@H]1C[C@H](C)C[N@H+]([C@H](C[NH3+])c2ccccc2Cl)C1 ZINC000039789082 174173051 /nfs/dbraw/zinc/17/30/51/174173051.db2.gz FXLCMONDWURIMH-TYNCELHUSA-N 2 2 266.816 3.318 10 0 CGAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@H](C[NH3+])c2ccccc2Cl)C1 ZINC000039789082 174173053 /nfs/dbraw/zinc/17/30/53/174173053.db2.gz FXLCMONDWURIMH-TYNCELHUSA-N 2 2 266.816 3.318 10 0 CGAELP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@@H](C)C1)c1ccc(Cl)s1 ZINC000401796449 416546492 /nfs/dbraw/zinc/54/64/92/416546492.db2.gz JRBKYFIXRZJMLZ-AEJSXWLSSA-N 2 2 258.818 3.050 10 0 CGAELP Cc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)cc1C ZINC000657337519 419254573 /nfs/dbraw/zinc/25/45/73/419254573.db2.gz YEHJFOWAFFXEHP-AWEZNQCLSA-N 2 2 269.392 3.297 10 0 CGAELP c1ccc(CC[N@@H+]2CC[C@H]([NH2+]C3CCCCC3)C2)cc1 ZINC000040671082 270029586 /nfs/dbraw/zinc/02/95/86/270029586.db2.gz LIQSVQONMSXPNY-SFHVURJKSA-N 2 2 272.436 3.226 10 0 CGAELP c1ccc(CC[N@H+]2CC[C@H]([NH2+]C3CCCCC3)C2)cc1 ZINC000040671082 270029587 /nfs/dbraw/zinc/02/95/87/270029587.db2.gz LIQSVQONMSXPNY-SFHVURJKSA-N 2 2 272.436 3.226 10 0 CGAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc2c(c1)CCCC2 ZINC000222702781 270086071 /nfs/dbraw/zinc/08/60/71/270086071.db2.gz KVKWTCDVDVZNCX-KDOFPFPSSA-N 2 2 272.436 3.310 10 0 CGAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc2c(c1)CCCC2 ZINC000222702781 270086072 /nfs/dbraw/zinc/08/60/72/270086072.db2.gz KVKWTCDVDVZNCX-KDOFPFPSSA-N 2 2 272.436 3.310 10 0 CGAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000396547930 288013701 /nfs/dbraw/zinc/01/37/01/288013701.db2.gz CWNDGSLAFGYVJK-COPLHBTASA-N 2 2 286.341 3.497 10 0 CGAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1ccccc1Cl ZINC000396674981 288015427 /nfs/dbraw/zinc/01/54/27/288015427.db2.gz SHNFLJMCSGFVKU-MJVIPROJSA-N 2 2 252.789 3.131 10 0 CGAELP CC(C)C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000052421338 519746101 /nfs/dbraw/zinc/74/61/01/519746101.db2.gz MSWNLBXRDSBPGJ-QGZVFWFLSA-N 2 2 260.425 3.459 10 0 CGAELP CC[NH2+][C@H](C)Cc1[nH+]c2cc(C)ccc2n1C1CC1 ZINC000061181862 520176695 /nfs/dbraw/zinc/17/66/95/520176695.db2.gz RAFDSXXTGLFNBD-GFCCVEGCSA-N 2 2 257.381 3.220 10 0 CGAELP CC/C=C/CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000184566971 520198544 /nfs/dbraw/zinc/19/85/44/520198544.db2.gz GJWNTDJMCOMHDK-BWPKMQGJSA-N 2 2 259.397 3.172 10 0 CGAELP CC/C=C/CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000184566971 520198553 /nfs/dbraw/zinc/19/85/53/520198553.db2.gz GJWNTDJMCOMHDK-BWPKMQGJSA-N 2 2 259.397 3.172 10 0 CGAELP CCc1ccccc1[C@@H](C[NH3+])[NH+]1CCC(C)(C)CC1 ZINC000061818925 521930318 /nfs/dbraw/zinc/93/03/18/521930318.db2.gz HIHKWFYVNRMJRY-MRXNPFEDSA-N 2 2 260.425 3.371 10 0 CGAELP CC[C@@H]1CCCC[N@@H+]1[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054554879 523178087 /nfs/dbraw/zinc/17/80/87/523178087.db2.gz FYRKKMWFAXCQOO-LVQVYYBASA-N 2 2 252.446 3.403 10 0 CGAELP CC[C@@H]1CCCC[N@H+]1[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054554879 523178100 /nfs/dbraw/zinc/17/81/00/523178100.db2.gz FYRKKMWFAXCQOO-LVQVYYBASA-N 2 2 252.446 3.403 10 0 CGAELP CC[C@H](C)[N@H+](CC)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062709859 523935442 /nfs/dbraw/zinc/93/54/42/523935442.db2.gz POOYOTGDBKFALB-ZANVPECISA-N 2 2 274.330 3.224 10 0 CGAELP CC[C@H](C)[N@@H+](CC)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062709859 523935445 /nfs/dbraw/zinc/93/54/45/523935445.db2.gz POOYOTGDBKFALB-ZANVPECISA-N 2 2 274.330 3.224 10 0 CGAELP Cc1cc2ccccc2[nH+]c1NCCCCCC[NH3+] ZINC000235875591 618830970 /nfs/dbraw/zinc/83/09/70/618830970.db2.gz XXPWNOICJMTZBH-UHFFFAOYSA-N 2 2 257.381 3.474 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000223146608 637850685 /nfs/dbraw/zinc/85/06/85/637850685.db2.gz YYGFZDUFPPTIEV-WMLDXEAASA-N 2 2 280.431 3.323 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000094370397 640794612 /nfs/dbraw/zinc/79/46/12/640794612.db2.gz FRGVYLLJEPTUKH-IAGOWNOFSA-N 2 2 296.499 3.434 10 0 CGAELP COc1ccc(C[C@@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000037167303 344948154 /nfs/dbraw/zinc/94/81/54/344948154.db2.gz NGKZABHXXJNEPD-WBVHZDCISA-N 2 2 292.467 3.192 10 0 CGAELP C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188404738 542248139 /nfs/dbraw/zinc/24/81/39/542248139.db2.gz FUUZTIDQHWSCNC-FUHWJXTLSA-N 2 2 283.419 3.226 10 0 CGAELP C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188404738 542248141 /nfs/dbraw/zinc/24/81/41/542248141.db2.gz FUUZTIDQHWSCNC-FUHWJXTLSA-N 2 2 283.419 3.226 10 0 CGAELP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000246203024 346359670 /nfs/dbraw/zinc/35/96/70/346359670.db2.gz JHKDSHIQFKPASH-HLLBOEOZSA-N 2 2 260.425 3.108 10 0 CGAELP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000246203024 346359672 /nfs/dbraw/zinc/35/96/72/346359672.db2.gz JHKDSHIQFKPASH-HLLBOEOZSA-N 2 2 260.425 3.108 10 0 CGAELP Cc1cc(N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)nc(C)[nH+]1 ZINC000329312089 202275979 /nfs/dbraw/zinc/27/59/79/202275979.db2.gz RHPUUTJEWJPGOI-CYBMUJFWSA-N 2 2 299.422 3.014 10 0 CGAELP Clc1ccc2c(NCCc3c[nH]c[nH+]3)cc[nH+]c2c1 ZINC000001727299 368435515 /nfs/dbraw/zinc/43/55/15/368435515.db2.gz CIBMOQNUWJHOOO-UHFFFAOYSA-N 2 2 272.739 3.266 10 0 CGAELP Clc1ccc2c(NCCc3c[nH+]c[nH]3)cc[nH+]c2c1 ZINC000001727299 368435523 /nfs/dbraw/zinc/43/55/23/368435523.db2.gz CIBMOQNUWJHOOO-UHFFFAOYSA-N 2 2 272.739 3.266 10 0 CGAELP CSc1ccc([C@@H](C[NH3+])[NH+]2CCCCCC2)cc1 ZINC000034938044 368980325 /nfs/dbraw/zinc/98/03/25/368980325.db2.gz IMZUXFITGVEXHV-OAHLLOKOSA-N 2 2 264.438 3.284 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC000040501982 369156345 /nfs/dbraw/zinc/15/63/45/369156345.db2.gz LDXSPRNQJYTEMY-KRWDZBQOSA-N 2 2 268.404 3.414 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC000040501982 369156350 /nfs/dbraw/zinc/15/63/50/369156350.db2.gz LDXSPRNQJYTEMY-KRWDZBQOSA-N 2 2 268.404 3.414 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000040502957 369157446 /nfs/dbraw/zinc/15/74/46/369157446.db2.gz AGJJBWYTRRJDOO-DLBZAZTESA-N 2 2 276.399 3.351 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000040502957 369157452 /nfs/dbraw/zinc/15/74/52/369157452.db2.gz AGJJBWYTRRJDOO-DLBZAZTESA-N 2 2 276.399 3.351 10 0 CGAELP Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)o1 ZINC000049900494 369422611 /nfs/dbraw/zinc/42/26/11/369422611.db2.gz RCQNAXUGOTXTIH-KGLIPLIRSA-N 2 2 250.386 3.113 10 0 CGAELP Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)o1 ZINC000049900494 369422612 /nfs/dbraw/zinc/42/26/12/369422612.db2.gz RCQNAXUGOTXTIH-KGLIPLIRSA-N 2 2 250.386 3.113 10 0 CGAELP [NH3+]C[C@H](c1ccc(-c2ccccc2F)o1)[NH+]1CCCC1 ZINC000053994431 369490608 /nfs/dbraw/zinc/49/06/08/369490608.db2.gz UQLHVPUTEGXIGY-CQSZACIVSA-N 2 2 274.339 3.181 10 0 CGAELP Cc1ccc(-c2nc(NC[C@@H]3CCC[NH2+]C3)cc(C)[nH+]2)cc1 ZINC000070456199 369800727 /nfs/dbraw/zinc/80/07/27/369800727.db2.gz BIFYCXRMWBHDFP-OAHLLOKOSA-N 2 2 296.418 3.172 10 0 CGAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H]1CC=CCC1 ZINC000309681594 374191935 /nfs/dbraw/zinc/19/19/35/374191935.db2.gz ZVLNROUFMBLWEP-DLBZAZTESA-N 2 2 272.436 3.453 10 0 CGAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H]1CC=CCC1 ZINC000309681594 374191939 /nfs/dbraw/zinc/19/19/39/374191939.db2.gz ZVLNROUFMBLWEP-DLBZAZTESA-N 2 2 272.436 3.453 10 0 CGAELP C[C@H]([NH2+][C@@H](C[NH+](C)C)c1ccccc1)C1CCSCC1 ZINC000186952250 374943339 /nfs/dbraw/zinc/94/33/39/374943339.db2.gz JYCXDQWUHYKANZ-YOEHRIQHSA-N 2 2 292.492 3.411 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCCN1c1cc[nH+]c2ccsc21 ZINC000192739907 375784754 /nfs/dbraw/zinc/78/47/54/375784754.db2.gz VWWNDLLPMSQEQG-CYBMUJFWSA-N 2 2 298.415 3.470 10 0 CGAELP C[C@@H]1CC[N@H+](CCC(=O)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000245561905 376855707 /nfs/dbraw/zinc/85/57/07/376855707.db2.gz LAYIMOHHKRCOAG-NVXWUHKLSA-N 2 2 297.402 3.039 10 0 CGAELP C[C@@H]1CC[N@@H+](CCC(=O)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000245561905 376855711 /nfs/dbraw/zinc/85/57/11/376855711.db2.gz LAYIMOHHKRCOAG-NVXWUHKLSA-N 2 2 297.402 3.039 10 0 CGAELP CC[C@@H]1C[N@H+](CCn2cc[nH+]c2)CC[C@H]1c1ccccc1 ZINC000246477976 377038332 /nfs/dbraw/zinc/03/83/32/377038332.db2.gz FTOOSMOVMIVCDM-SJLPKXTDSA-N 2 2 283.419 3.399 10 0 CGAELP CC[C@@H]1C[N@@H+](CCn2cc[nH+]c2)CC[C@H]1c1ccccc1 ZINC000246477976 377038337 /nfs/dbraw/zinc/03/83/37/377038337.db2.gz FTOOSMOVMIVCDM-SJLPKXTDSA-N 2 2 283.419 3.399 10 0 CGAELP CSc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000185223198 542238156 /nfs/dbraw/zinc/23/81/56/542238156.db2.gz RWNPEQKISYOZLQ-HNNXBMFYSA-N 2 2 287.432 3.270 10 0 CGAELP CSc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000185223198 542238162 /nfs/dbraw/zinc/23/81/62/542238162.db2.gz RWNPEQKISYOZLQ-HNNXBMFYSA-N 2 2 287.432 3.270 10 0 CGAELP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000394467749 379919383 /nfs/dbraw/zinc/91/93/83/379919383.db2.gz VGDVMEMZZXENHJ-BEFAXECRSA-N 2 2 296.414 3.187 10 0 CGAELP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000394467749 379919390 /nfs/dbraw/zinc/91/93/90/379919390.db2.gz VGDVMEMZZXENHJ-BEFAXECRSA-N 2 2 296.414 3.187 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000389312148 379895468 /nfs/dbraw/zinc/89/54/68/379895468.db2.gz FDFABOVJANJOBS-YPMHNXCESA-N 2 2 284.350 3.033 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000389312148 379895474 /nfs/dbraw/zinc/89/54/74/379895474.db2.gz FDFABOVJANJOBS-YPMHNXCESA-N 2 2 284.350 3.033 10 0 CGAELP CCc1oc2ccccc2c1C[NH2+][C@H]1CC[N@@H+](CC)C1 ZINC000389256070 379896368 /nfs/dbraw/zinc/89/63/68/379896368.db2.gz NSBMLVGUUFIEIW-ZDUSSCGKSA-N 2 2 272.392 3.179 10 0 CGAELP CCc1oc2ccccc2c1C[NH2+][C@H]1CC[N@H+](CC)C1 ZINC000389256070 379896374 /nfs/dbraw/zinc/89/63/74/379896374.db2.gz NSBMLVGUUFIEIW-ZDUSSCGKSA-N 2 2 272.392 3.179 10 0 CGAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCC12CCCC2 ZINC000474061378 393338806 /nfs/dbraw/zinc/33/88/06/393338806.db2.gz AKYCTYFRYLXQHH-GJZGRUSLSA-N 2 2 252.446 3.275 10 0 CGAELP CCCOc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000675789013 543365293 /nfs/dbraw/zinc/36/52/93/543365293.db2.gz QJDGNYBBXUTTNN-JKIFEVAISA-N 2 2 276.424 3.076 10 0 CGAELP CCCOc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000675789013 543365296 /nfs/dbraw/zinc/36/52/96/543365296.db2.gz QJDGNYBBXUTTNN-JKIFEVAISA-N 2 2 276.424 3.076 10 0 CGAELP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccc2ccccc2c1 ZINC000675725843 543357814 /nfs/dbraw/zinc/35/78/14/543357814.db2.gz LNMBKSKARDVNRH-DEYYWGMASA-N 2 2 268.404 3.441 10 0 CGAELP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccc2ccccc2c1 ZINC000675725843 543357816 /nfs/dbraw/zinc/35/78/16/543357816.db2.gz LNMBKSKARDVNRH-DEYYWGMASA-N 2 2 268.404 3.441 10 0 CGAELP C[C@@H]([NH2+]Cc1cc[nH]c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000086255489 287082729 /nfs/dbraw/zinc/08/27/29/287082729.db2.gz YRJMZORMVPFKDR-CYBMUJFWSA-N 2 2 266.348 3.051 10 0 CGAELP COc1ccc(C[N@H+](C)[C@H](C[NH3+])c2ccccc2C)cc1 ZINC000020225453 171088604 /nfs/dbraw/zinc/08/86/04/171088604.db2.gz NPXQMKVJJZSVDQ-GOSISDBHSA-N 2 2 284.403 3.135 10 0 CGAELP COc1ccc(C[N@@H+](C)[C@H](C[NH3+])c2ccccc2C)cc1 ZINC000020225453 171088607 /nfs/dbraw/zinc/08/86/07/171088607.db2.gz NPXQMKVJJZSVDQ-GOSISDBHSA-N 2 2 284.403 3.135 10 0 CGAELP COc1cccc(C[N@H+](C)[C@@H](C[NH3+])c2ccccc2C)c1 ZINC000020225450 171088809 /nfs/dbraw/zinc/08/88/09/171088809.db2.gz JUJIWAPOZPJCKN-SFHVURJKSA-N 2 2 284.403 3.135 10 0 CGAELP COc1cccc(C[N@@H+](C)[C@@H](C[NH3+])c2ccccc2C)c1 ZINC000020225450 171088811 /nfs/dbraw/zinc/08/88/11/171088811.db2.gz JUJIWAPOZPJCKN-SFHVURJKSA-N 2 2 284.403 3.135 10 0 CGAELP CC(C)CCCCCC[NH2+][C@@H]1C[NH+]2CCC1CC2 ZINC000020441887 171204953 /nfs/dbraw/zinc/20/49/53/171204953.db2.gz FSABTNWBVDWPIR-MRXNPFEDSA-N 2 2 252.446 3.277 10 0 CGAELP [NH3+][C@@H](Cc1ccccc1)[C@@H](c1ccccc1)n1cc[nH+]c1 ZINC000022565194 171392016 /nfs/dbraw/zinc/39/20/16/171392016.db2.gz FNZASKVUDGTAEV-ZWKOTPCHSA-N 2 2 277.371 3.043 10 0 CGAELP CC[NH+](CC)CC[NH2+][C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000031771808 171646579 /nfs/dbraw/zinc/64/65/79/171646579.db2.gz CWMTVGNXDJOOBJ-OFQRWUPVSA-N 2 2 252.446 3.133 10 0 CGAELP [NH3+][C@@H](Cn1cc[nH+]c1)c1ccc(-c2ccccc2)cc1 ZINC000038808941 174156323 /nfs/dbraw/zinc/15/63/23/174156323.db2.gz PBHNZDOXBGKGOY-KRWDZBQOSA-N 2 2 263.344 3.250 10 0 CGAELP C[C@@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccccc2Cl)C1 ZINC000038860322 174157974 /nfs/dbraw/zinc/15/79/74/174157974.db2.gz HFCXWGATMMXXMR-RISCZKNCSA-N 2 2 252.789 3.072 10 0 CGAELP C[C@@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccccc2Cl)C1 ZINC000038860322 174157975 /nfs/dbraw/zinc/15/79/75/174157975.db2.gz HFCXWGATMMXXMR-RISCZKNCSA-N 2 2 252.789 3.072 10 0 CGAELP C[C@@H]1C[C@H](C)C[N@H+]([C@H](C[NH3+])c2cccc(Cl)c2)C1 ZINC000039789087 174172930 /nfs/dbraw/zinc/17/29/30/174172930.db2.gz HHYRDJSCEQXFMX-TYNCELHUSA-N 2 2 266.816 3.318 10 0 CGAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@H](C[NH3+])c2cccc(Cl)c2)C1 ZINC000039789087 174172931 /nfs/dbraw/zinc/17/29/31/174172931.db2.gz HHYRDJSCEQXFMX-TYNCELHUSA-N 2 2 266.816 3.318 10 0 CGAELP C[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)[NH+]1CCC(C)CC1 ZINC000042944184 174919423 /nfs/dbraw/zinc/91/94/23/174919423.db2.gz KFAOKZXAAGSRIK-SWLSCSKDSA-N 2 2 266.816 3.460 10 0 CGAELP CC(C)C[N@H+](CC[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000043512076 175060364 /nfs/dbraw/zinc/06/03/64/175060364.db2.gz RKTIPZASEYNVAQ-UHFFFAOYSA-N 2 2 274.330 3.122 10 0 CGAELP CC(C)C[N@@H+](CC[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000043512076 175060365 /nfs/dbraw/zinc/06/03/65/175060365.db2.gz RKTIPZASEYNVAQ-UHFFFAOYSA-N 2 2 274.330 3.122 10 0 CGAELP C[NH2+][C@@H]1CC[N@H+](Cc2c(C)cc(C(C)(C)C)cc2C)C1 ZINC000128087675 287303361 /nfs/dbraw/zinc/30/33/61/287303361.db2.gz JHSQDNAHSAVKJT-MRXNPFEDSA-N 2 2 274.452 3.395 10 0 CGAELP C[NH2+][C@@H]1CC[N@@H+](Cc2c(C)cc(C(C)(C)C)cc2C)C1 ZINC000128087675 287303363 /nfs/dbraw/zinc/30/33/63/287303363.db2.gz JHSQDNAHSAVKJT-MRXNPFEDSA-N 2 2 274.452 3.395 10 0 CGAELP CCc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657291587 419244125 /nfs/dbraw/zinc/24/41/25/419244125.db2.gz YFXFBLBPRULMOB-CYBMUJFWSA-N 2 2 269.392 3.243 10 0 CGAELP CC(C)[NH2+]CC[N@H+](C)CCc1cccc2ccccc21 ZINC000228264954 261897066 /nfs/dbraw/zinc/89/70/66/261897066.db2.gz GICVPOBYCGPIQQ-UHFFFAOYSA-N 2 2 270.420 3.312 10 0 CGAELP CC(C)[NH2+]CC[N@@H+](C)CCc1cccc2ccccc21 ZINC000228264954 261897069 /nfs/dbraw/zinc/89/70/69/261897069.db2.gz GICVPOBYCGPIQQ-UHFFFAOYSA-N 2 2 270.420 3.312 10 0 CGAELP CCCCC[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671130 270029708 /nfs/dbraw/zinc/02/97/08/270029708.db2.gz WVXFONRKOCCEOL-QGZVFWFLSA-N 2 2 260.425 3.083 10 0 CGAELP CCCCC[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671130 270029710 /nfs/dbraw/zinc/02/97/10/270029710.db2.gz WVXFONRKOCCEOL-QGZVFWFLSA-N 2 2 260.425 3.083 10 0 CGAELP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1C ZINC000222705041 270086395 /nfs/dbraw/zinc/08/63/95/270086395.db2.gz ACQBPWMTZDRQNT-HOTGVXAUSA-N 2 2 260.425 3.357 10 0 CGAELP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1C ZINC000222705041 270086396 /nfs/dbraw/zinc/08/63/96/270086396.db2.gz ACQBPWMTZDRQNT-HOTGVXAUSA-N 2 2 260.425 3.357 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)CCc2ccc(OC)cc2)C1 ZINC000250224612 270091247 /nfs/dbraw/zinc/09/12/47/270091247.db2.gz FFZWRINQBMBEOM-WBVHZDCISA-N 2 2 290.451 3.090 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)CCc2ccc(OC)cc2)C1 ZINC000250224612 270091248 /nfs/dbraw/zinc/09/12/48/270091248.db2.gz FFZWRINQBMBEOM-WBVHZDCISA-N 2 2 290.451 3.090 10 0 CGAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000396574178 288013907 /nfs/dbraw/zinc/01/39/07/288013907.db2.gz MGXAJXAOWQAGDV-COPLHBTASA-N 2 2 286.341 3.497 10 0 CGAELP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000396566869 288014045 /nfs/dbraw/zinc/01/40/45/288014045.db2.gz MHWPXCKTWHWYSO-ZLKJLUDKSA-N 2 2 280.412 3.093 10 0 CGAELP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261849927 288154617 /nfs/dbraw/zinc/15/46/17/288154617.db2.gz RJPGZDQSXMQBCJ-HUUCEWRRSA-N 2 2 282.378 3.475 10 0 CGAELP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261849927 288154620 /nfs/dbraw/zinc/15/46/20/288154620.db2.gz RJPGZDQSXMQBCJ-HUUCEWRRSA-N 2 2 282.378 3.475 10 0 CGAELP CC(C)CC[N@H+](C)[C@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062710554 519651010 /nfs/dbraw/zinc/65/10/10/519651010.db2.gz XXEAYUKLEDDGOP-CYBMUJFWSA-N 2 2 274.330 3.082 10 0 CGAELP CC(C)CC[N@@H+](C)[C@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062710554 519651011 /nfs/dbraw/zinc/65/10/11/519651011.db2.gz XXEAYUKLEDDGOP-CYBMUJFWSA-N 2 2 274.330 3.082 10 0 CGAELP CC[NH2+]C[C@@H](CC)[N@@H+]1CCc2sccc2[C@@H]1C ZINC000052505264 519944296 /nfs/dbraw/zinc/94/42/96/519944296.db2.gz OCMFROUNLRXSFN-NWDGAFQWSA-N 2 2 252.427 3.055 10 0 CGAELP CC[NH2+]C[C@@H](CC)[N@H+]1CCc2sccc2[C@@H]1C ZINC000052505264 519944305 /nfs/dbraw/zinc/94/43/05/519944305.db2.gz OCMFROUNLRXSFN-NWDGAFQWSA-N 2 2 252.427 3.055 10 0 CGAELP CC[C@H](C[NH2+]C(C)C)[N@H+](Cc1cccs1)C1CC1 ZINC000052370636 522192249 /nfs/dbraw/zinc/19/22/49/522192249.db2.gz ZRYYJJKQDIOHBY-CYBMUJFWSA-N 2 2 266.454 3.489 10 0 CGAELP CC[C@H](C[NH2+]C(C)C)[N@@H+](Cc1cccs1)C1CC1 ZINC000052370636 522192264 /nfs/dbraw/zinc/19/22/64/522192264.db2.gz ZRYYJJKQDIOHBY-CYBMUJFWSA-N 2 2 266.454 3.489 10 0 CGAELP C[N@H+](Cc1cccs1)[C@H](C[NH3+])CCc1ccccc1 ZINC000061624617 523447200 /nfs/dbraw/zinc/44/72/00/523447200.db2.gz FEILYVRMCCPPOR-HNNXBMFYSA-N 2 2 274.433 3.140 10 0 CGAELP C[N@@H+](Cc1cccs1)[C@H](C[NH3+])CCc1ccccc1 ZINC000061624617 523447208 /nfs/dbraw/zinc/44/72/08/523447208.db2.gz FEILYVRMCCPPOR-HNNXBMFYSA-N 2 2 274.433 3.140 10 0 CGAELP Cc1cc[nH+]c(N[C@@H](C)CCCC[NH3+])c1Br ZINC000309486787 525699119 /nfs/dbraw/zinc/69/91/19/525699119.db2.gz YIMMFFNMYGCHJJ-JTQLQIEISA-N 2 2 286.217 3.082 10 0 CGAELP c1cn(-c2ccc(C[N@@H+]3CCO[C@@H]4CCCC[C@@H]43)cc2)c[nH+]1 ZINC000101545519 526524156 /nfs/dbraw/zinc/52/41/56/526524156.db2.gz ZAILOEDDNDXNST-ZWKOTPCHSA-N 2 2 297.402 3.016 10 0 CGAELP c1cn(-c2ccc(C[N@H+]3CCO[C@@H]4CCCC[C@@H]43)cc2)c[nH+]1 ZINC000101545519 526524159 /nfs/dbraw/zinc/52/41/59/526524159.db2.gz ZAILOEDDNDXNST-ZWKOTPCHSA-N 2 2 297.402 3.016 10 0 CGAELP Cc1[nH+]cn(-c2ccc([C@@H](C)[NH3+])cc2Br)c1C ZINC000061698547 527461218 /nfs/dbraw/zinc/46/12/18/527461218.db2.gz DJWUDHJXRDOGGN-MRVPVSSYSA-N 2 2 294.196 3.271 10 0 CGAELP CCCOc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](CC)C2)cc1 ZINC000389450587 346572998 /nfs/dbraw/zinc/57/29/98/346572998.db2.gz QCZCMVLUJMFCHH-ZBFHGGJFSA-N 2 2 276.424 3.220 10 0 CGAELP CCCOc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](CC)C2)cc1 ZINC000389450587 346572999 /nfs/dbraw/zinc/57/29/99/346572999.db2.gz QCZCMVLUJMFCHH-ZBFHGGJFSA-N 2 2 276.424 3.220 10 0 CGAELP [NH3+]CC[N@@H+]1CCCCC[C@H]1c1ccc2cccnc2c1 ZINC000616625571 348850783 /nfs/dbraw/zinc/85/07/83/348850783.db2.gz QFGXFKFUWDKDMV-KRWDZBQOSA-N 2 2 269.392 3.111 10 0 CGAELP [NH3+]CC[N@H+]1CCCCC[C@H]1c1ccc2cccnc2c1 ZINC000616625571 348850787 /nfs/dbraw/zinc/85/07/87/348850787.db2.gz QFGXFKFUWDKDMV-KRWDZBQOSA-N 2 2 269.392 3.111 10 0 CGAELP C[C@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C[N@@H+]1C1CC1 ZINC000129571743 291145767 /nfs/dbraw/zinc/14/57/67/291145767.db2.gz WTTGSTYMCAQITF-SHWKFHJASA-N 2 2 250.430 3.028 10 0 CGAELP C[C@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C[N@H+]1C1CC1 ZINC000129571743 291145768 /nfs/dbraw/zinc/14/57/68/291145768.db2.gz WTTGSTYMCAQITF-SHWKFHJASA-N 2 2 250.430 3.028 10 0 CGAELP CC1(C)CO[C@@H](c2ccccc2)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000183172586 189348879 /nfs/dbraw/zinc/34/88/79/189348879.db2.gz PJIAQGBXACJSQW-QGZVFWFLSA-N 2 2 299.418 3.125 10 0 CGAELP CC1(C)CO[C@@H](c2ccccc2)C[N@H+]1CCCn1cc[nH+]c1 ZINC000183172586 189348880 /nfs/dbraw/zinc/34/88/80/189348880.db2.gz PJIAQGBXACJSQW-QGZVFWFLSA-N 2 2 299.418 3.125 10 0 CGAELP CSc1ccc([C@@H](C[NH3+])[NH+]2CCC(C)CC2)cc1 ZINC000034938071 368980414 /nfs/dbraw/zinc/98/04/14/368980414.db2.gz VJMYNHPGKCADMB-OAHLLOKOSA-N 2 2 264.438 3.140 10 0 CGAELP CSc1ccc([C@H](C[NH3+])[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000034958884 368982481 /nfs/dbraw/zinc/98/24/81/368982481.db2.gz DQVHZDVWLWKHJE-WFASDCNBSA-N 2 2 264.438 3.140 10 0 CGAELP CSc1ccc([C@H](C[NH3+])[N@H+]2CCC[C@H](C)C2)cc1 ZINC000034958884 368982487 /nfs/dbraw/zinc/98/24/87/368982487.db2.gz DQVHZDVWLWKHJE-WFASDCNBSA-N 2 2 264.438 3.140 10 0 CGAELP CCc1[nH]c(C2CC[NH2+]CC2)[nH+]c1-c1ccccc1 ZINC000036874191 369035645 /nfs/dbraw/zinc/03/56/45/369035645.db2.gz LEPXOENTQZPBNZ-UHFFFAOYSA-N 2 2 255.365 3.106 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CCc2ccccc2)C1 ZINC000040502148 369157987 /nfs/dbraw/zinc/15/79/87/369157987.db2.gz RUYVLVYQNICUNO-DOTOQJQBSA-N 2 2 260.425 3.082 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CCc2ccccc2)C1 ZINC000040502148 369157991 /nfs/dbraw/zinc/15/79/91/369157991.db2.gz RUYVLVYQNICUNO-DOTOQJQBSA-N 2 2 260.425 3.082 10 0 CGAELP Cc1ccc(-c2nc(N[C@@H]3CCC[NH2+]C3)c(C)c(C)[nH+]2)cc1 ZINC000070456425 369800790 /nfs/dbraw/zinc/80/07/90/369800790.db2.gz DUDAQOFQUFNIJU-MRXNPFEDSA-N 2 2 296.418 3.233 10 0 CGAELP CCc1ccc([C@@H]2CCCC[N@@H+]2CCn2cc[nH+]c2)o1 ZINC000131460171 371109425 /nfs/dbraw/zinc/10/94/25/371109425.db2.gz LCWCZAQNOLTOQV-HNNXBMFYSA-N 2 2 273.380 3.266 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+]C/C(C)=C/c2ccccc2)C1 ZINC000142719369 371514009 /nfs/dbraw/zinc/51/40/09/371514009.db2.gz IRQFJBBCIINUKY-OKACTXMXSA-N 2 2 258.409 3.164 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+]C/C(C)=C/c2ccccc2)C1 ZINC000142719369 371514017 /nfs/dbraw/zinc/51/40/17/371514017.db2.gz IRQFJBBCIINUKY-OKACTXMXSA-N 2 2 258.409 3.164 10 0 CGAELP c1ccc([C@@H]2CSCC[N@H+]2CCC[NH+]2CCCC2)cc1 ZINC000163029840 372442555 /nfs/dbraw/zinc/44/25/55/372442555.db2.gz MYVCVEUDKYKYRJ-KRWDZBQOSA-N 2 2 290.476 3.262 10 0 CGAELP c1ccc([C@@H]2CSCC[N@@H+]2CCC[NH+]2CCCC2)cc1 ZINC000163029840 372442564 /nfs/dbraw/zinc/44/25/64/372442564.db2.gz MYVCVEUDKYKYRJ-KRWDZBQOSA-N 2 2 290.476 3.262 10 0 CGAELP c1ccc(NC[C@H]2CC[N@H+](C[C@@H]3CC=CCC3)C2)[nH+]c1 ZINC000245562243 376856062 /nfs/dbraw/zinc/85/60/62/376856062.db2.gz OSELDYDSYCTMTB-HZPDHXFCSA-N 2 2 271.408 3.172 10 0 CGAELP c1ccc(NC[C@H]2CC[N@@H+](C[C@@H]3CC=CCC3)C2)[nH+]c1 ZINC000245562243 376856065 /nfs/dbraw/zinc/85/60/65/376856065.db2.gz OSELDYDSYCTMTB-HZPDHXFCSA-N 2 2 271.408 3.172 10 0 CGAELP Cc1cccc([C@H](C)[NH2+][C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000246240071 376995622 /nfs/dbraw/zinc/99/56/22/376995622.db2.gz NVNSLHFTYUWQPR-HLLBOEOZSA-N 2 2 260.425 3.374 10 0 CGAELP Cc1cccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000246240071 376995628 /nfs/dbraw/zinc/99/56/28/376995628.db2.gz NVNSLHFTYUWQPR-HLLBOEOZSA-N 2 2 260.425 3.374 10 0 CGAELP COc1cccc([C@@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000247279800 377187463 /nfs/dbraw/zinc/18/74/63/377187463.db2.gz XGPATIPEMBATDQ-RHSMWYFYSA-N 2 2 299.418 3.426 10 0 CGAELP COc1cccc([C@@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000247279800 377187470 /nfs/dbraw/zinc/18/74/70/377187470.db2.gz XGPATIPEMBATDQ-RHSMWYFYSA-N 2 2 299.418 3.426 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2cnc3ccsc3c2)C1 ZINC000389478201 379901361 /nfs/dbraw/zinc/90/13/61/379901361.db2.gz WSLLRBXOJKIQFN-DGCLKSJQSA-N 2 2 275.421 3.041 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2cnc3ccsc3c2)C1 ZINC000389478201 379901366 /nfs/dbraw/zinc/90/13/66/379901366.db2.gz WSLLRBXOJKIQFN-DGCLKSJQSA-N 2 2 275.421 3.041 10 0 CGAELP CC[N@H+](CC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)C1CC1 ZINC000230652032 393023316 /nfs/dbraw/zinc/02/33/16/393023316.db2.gz DECQUDSIXZREPO-KGLIPLIRSA-N 2 2 252.446 3.275 10 0 CGAELP CC[N@@H+](CC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)C1CC1 ZINC000230652032 393023325 /nfs/dbraw/zinc/02/33/25/393023325.db2.gz DECQUDSIXZREPO-KGLIPLIRSA-N 2 2 252.446 3.275 10 0 CGAELP Cc1cccc([C@H](C[NH3+])[N@H+](C)Cc2ccccc2C)c1 ZINC000020225484 171089043 /nfs/dbraw/zinc/08/90/43/171089043.db2.gz OJGKNVFRQXDVJS-SFHVURJKSA-N 2 2 268.404 3.435 10 0 CGAELP Cc1cccc([C@H](C[NH3+])[N@@H+](C)Cc2ccccc2C)c1 ZINC000020225484 171089044 /nfs/dbraw/zinc/08/90/44/171089044.db2.gz OJGKNVFRQXDVJS-SFHVURJKSA-N 2 2 268.404 3.435 10 0 CGAELP CCn1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2CC)c2ccccc21 ZINC000020968487 171282814 /nfs/dbraw/zinc/28/28/14/171282814.db2.gz DIBPVOVYBMAHRM-INIZCTEOSA-N 2 2 285.435 3.235 10 0 CGAELP CCn1cc(C[NH2+]C[C@@H]2CCC[N@H+]2CC)c2ccccc21 ZINC000020968487 171282815 /nfs/dbraw/zinc/28/28/15/171282815.db2.gz DIBPVOVYBMAHRM-INIZCTEOSA-N 2 2 285.435 3.235 10 0 CGAELP CCCOc1ccc(Cl)cc1C[NH2+]CCC[NH+](C)C ZINC000020967806 171282924 /nfs/dbraw/zinc/28/29/24/171282924.db2.gz LTGOWJURYVSPSM-UHFFFAOYSA-N 2 2 284.831 3.170 10 0 CGAELP Cc1ccsc1[C@H](C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000022176865 171371045 /nfs/dbraw/zinc/37/10/45/171371045.db2.gz FUMCSZRYEPRZJZ-HNNXBMFYSA-N 2 2 272.417 3.115 10 0 CGAELP Cc1ccsc1[C@H](C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000022176865 171371047 /nfs/dbraw/zinc/37/10/47/171371047.db2.gz FUMCSZRYEPRZJZ-HNNXBMFYSA-N 2 2 272.417 3.115 10 0 CGAELP C[C@@H]1CCC[C@](C[NH3+])([N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000035176776 172029760 /nfs/dbraw/zinc/02/97/60/172029760.db2.gz VLPQQYVKBVLFQN-TWMKSMIVSA-N 2 2 264.457 3.406 10 0 CGAELP C[C@@H]1CCC[C@](C[NH3+])([N@H+]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000035176776 172029762 /nfs/dbraw/zinc/02/97/62/172029762.db2.gz VLPQQYVKBVLFQN-TWMKSMIVSA-N 2 2 264.457 3.406 10 0 CGAELP C[C@H](C[NH2+]C1[C@H](C)CCC[C@H]1C)[NH+]1CCCCC1 ZINC000038028321 174016066 /nfs/dbraw/zinc/01/60/66/174016066.db2.gz NNWDGXIZQABSSX-RBSFLKMASA-N 2 2 252.446 3.275 10 0 CGAELP CCC[N@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000044298733 175161416 /nfs/dbraw/zinc/16/14/16/175161416.db2.gz FWHYHEVWQKNTMJ-HNNXBMFYSA-N 2 2 266.816 3.462 10 0 CGAELP CCC[N@@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000044298733 175161417 /nfs/dbraw/zinc/16/14/17/175161417.db2.gz FWHYHEVWQKNTMJ-HNNXBMFYSA-N 2 2 266.816 3.462 10 0 CGAELP Clc1cccc(C[NH2+]CCc2c[nH+]c[nH]2)c1Cl ZINC000045946323 175388020 /nfs/dbraw/zinc/38/80/20/175388020.db2.gz NHSXXTRWTYDNSO-UHFFFAOYSA-N 2 2 270.163 3.049 10 0 CGAELP Clc1cccc(C[NH2+]CCc2c[nH]c[nH+]2)c1Cl ZINC000045946323 175388021 /nfs/dbraw/zinc/38/80/21/175388021.db2.gz NHSXXTRWTYDNSO-UHFFFAOYSA-N 2 2 270.163 3.049 10 0 CGAELP CC1(C)CC[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2[NH2+]1 ZINC000076697687 177061061 /nfs/dbraw/zinc/06/10/61/177061061.db2.gz KSWFKFDPBGLFIU-CVEARBPZSA-N 2 2 258.409 3.039 10 0 CGAELP CC1(C)CC[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2[NH2+]1 ZINC000076697687 177061062 /nfs/dbraw/zinc/06/10/62/177061062.db2.gz KSWFKFDPBGLFIU-CVEARBPZSA-N 2 2 258.409 3.039 10 0 CGAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CCCSCC1 ZINC000657941398 419454925 /nfs/dbraw/zinc/45/49/25/419454925.db2.gz VERLHVPGLAEYQH-RDJZCZTQSA-N 2 2 292.492 3.382 10 0 CGAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CCCSCC1 ZINC000657941398 419454933 /nfs/dbraw/zinc/45/49/33/419454933.db2.gz VERLHVPGLAEYQH-RDJZCZTQSA-N 2 2 292.492 3.382 10 0 CGAELP c1ccc(CC[N@@H+]2CC[C@@H]([NH2+]C3CCCCC3)C2)cc1 ZINC000040671084 270029830 /nfs/dbraw/zinc/02/98/30/270029830.db2.gz LIQSVQONMSXPNY-GOSISDBHSA-N 2 2 272.436 3.226 10 0 CGAELP c1ccc(CC[N@H+]2CC[C@@H]([NH2+]C3CCCCC3)C2)cc1 ZINC000040671084 270029832 /nfs/dbraw/zinc/02/98/32/270029832.db2.gz LIQSVQONMSXPNY-GOSISDBHSA-N 2 2 272.436 3.226 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)Cc2ccc(Cl)cc2)C1 ZINC000223038601 270086270 /nfs/dbraw/zinc/08/62/70/270086270.db2.gz SMWUFGCMQJOHQX-XJKSGUPXSA-N 2 2 280.843 3.345 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)Cc2ccc(Cl)cc2)C1 ZINC000223038601 270086271 /nfs/dbraw/zinc/08/62/71/270086271.db2.gz SMWUFGCMQJOHQX-XJKSGUPXSA-N 2 2 280.843 3.345 10 0 CGAELP CC(C)C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCC[NH2+]1 ZINC000062662086 519271863 /nfs/dbraw/zinc/27/18/63/519271863.db2.gz JWZQGEIRVCAUTC-MRXNPFEDSA-N 2 2 264.388 3.036 10 0 CGAELP CC(C)C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCC[NH2+]1 ZINC000062662086 519271871 /nfs/dbraw/zinc/27/18/71/519271871.db2.gz JWZQGEIRVCAUTC-MRXNPFEDSA-N 2 2 264.388 3.036 10 0 CGAELP CC[N@H+]([C@@H](C[NH3+])c1csc2ccccc12)C1CC1 ZINC000054463985 521473504 /nfs/dbraw/zinc/47/35/04/521473504.db2.gz XZCXRLWWESYFAX-AWEZNQCLSA-N 2 2 260.406 3.385 10 0 CGAELP CC[N@@H+]([C@@H](C[NH3+])c1csc2ccccc12)C1CC1 ZINC000054463985 521473510 /nfs/dbraw/zinc/47/35/10/521473510.db2.gz XZCXRLWWESYFAX-AWEZNQCLSA-N 2 2 260.406 3.385 10 0 CGAELP CC[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(Br)cc1 ZINC000054764485 522638793 /nfs/dbraw/zinc/63/87/93/522638793.db2.gz RXGLSMQTAWCQHO-ZDUSSCGKSA-N 2 2 294.196 3.413 10 0 CGAELP C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1[nH+]c(NN)ccc1Cl ZINC000061638472 524130947 /nfs/dbraw/zinc/13/09/47/524130947.db2.gz PVRTYWOOOCFLRK-MFKMUULPSA-N 2 2 282.819 3.031 10 0 CGAELP C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1[nH+]c(NN)ccc1Cl ZINC000061638472 524130956 /nfs/dbraw/zinc/13/09/56/524130956.db2.gz PVRTYWOOOCFLRK-MFKMUULPSA-N 2 2 282.819 3.031 10 0 CGAELP C[C@@H]1CCC[N@H+]([C@@H](C[NH3+])c2cccc(Cl)c2)[C@@H]1C ZINC000050563414 524243695 /nfs/dbraw/zinc/24/36/95/524243695.db2.gz PLAIWFOJCQRFBG-JMSVASOKSA-N 2 2 266.816 3.460 10 0 CGAELP C[C@@H]1CCC[N@@H+]([C@@H](C[NH3+])c2cccc(Cl)c2)[C@@H]1C ZINC000050563414 524243705 /nfs/dbraw/zinc/24/37/05/524243705.db2.gz PLAIWFOJCQRFBG-JMSVASOKSA-N 2 2 266.816 3.460 10 0 CGAELP Cc1cccc([C@H]2[C@@H]([NH3+])CC[N@@H+]2Cc2ccccc2)c1 ZINC000096947858 185137632 /nfs/dbraw/zinc/13/76/32/185137632.db2.gz JGLYJTNUHMKDRV-ROUUACIJSA-N 2 2 266.388 3.269 10 0 CGAELP Cc1cccc([C@H]2[C@@H]([NH3+])CC[N@H+]2Cc2ccccc2)c1 ZINC000096947858 185137634 /nfs/dbraw/zinc/13/76/34/185137634.db2.gz JGLYJTNUHMKDRV-ROUUACIJSA-N 2 2 266.388 3.269 10 0 CGAELP Cc1cc2ccccc2[nH+]c1N1CCC([C@@H](C)[NH3+])CC1 ZINC000111612475 345950535 /nfs/dbraw/zinc/95/05/35/345950535.db2.gz SXAPOHKFSHGMES-CYBMUJFWSA-N 2 2 269.392 3.107 10 0 CGAELP Fc1ccc2c(c1)[C@@H]([NH+]1CCC([NH+]3CCCC3)CC1)CC2 ZINC000177706950 283001080 /nfs/dbraw/zinc/00/10/80/283001080.db2.gz ZDSAHSBNOONTCN-SFHVURJKSA-N 2 2 288.410 3.373 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)c1ccccc1 ZINC000178314450 189105798 /nfs/dbraw/zinc/10/57/98/189105798.db2.gz CJLVEBYPLRUQON-YOEHRIQHSA-N 2 2 269.392 3.417 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)c1ccccc1 ZINC000178314450 189105799 /nfs/dbraw/zinc/10/57/99/189105799.db2.gz CJLVEBYPLRUQON-YOEHRIQHSA-N 2 2 269.392 3.417 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000040502274 369158435 /nfs/dbraw/zinc/15/84/35/369158435.db2.gz SXRGXKTZQSKOEK-UKRRQHHQSA-N 2 2 276.449 3.297 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000040502274 369158436 /nfs/dbraw/zinc/15/84/36/369158436.db2.gz SXRGXKTZQSKOEK-UKRRQHHQSA-N 2 2 276.449 3.297 10 0 CGAELP C[C@@H](Cc1ccccc1F)[NH2+]CC1(Cn2cc[nH+]c2)CC1 ZINC000065403578 369674725 /nfs/dbraw/zinc/67/47/25/369674725.db2.gz DJCWWTNXXYDFNX-AWEZNQCLSA-N 2 2 287.382 3.023 10 0 CGAELP CC(C)[C@H]([NH3+])CCN(C)c1ccc2ccccc2[nH+]1 ZINC000133596665 371265501 /nfs/dbraw/zinc/26/55/01/371265501.db2.gz RGNGDHIBNPZBRS-CQSZACIVSA-N 2 2 257.381 3.044 10 0 CGAELP CC(C)c1cc(N2CC[N@@H+]3CCC[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC000179504491 373880497 /nfs/dbraw/zinc/88/04/97/373880497.db2.gz UHXAQZSYSBHFIV-CQSZACIVSA-N 2 2 288.439 3.008 10 0 CGAELP CC(C)c1cc(N2CC[N@H+]3CCC[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC000179504491 373880506 /nfs/dbraw/zinc/88/05/06/373880506.db2.gz UHXAQZSYSBHFIV-CQSZACIVSA-N 2 2 288.439 3.008 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)C1 ZINC000328321107 374362713 /nfs/dbraw/zinc/36/27/13/374362713.db2.gz DVFMYMVXMJLDSL-GXTWGEPZSA-N 2 2 280.412 3.046 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)C1 ZINC000328321107 374362720 /nfs/dbraw/zinc/36/27/20/374362720.db2.gz DVFMYMVXMJLDSL-GXTWGEPZSA-N 2 2 280.412 3.046 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(OC(F)F)c2)C1 ZINC000328393362 374366350 /nfs/dbraw/zinc/36/63/50/374366350.db2.gz YNJLTFFVSRVUCC-YPMHNXCESA-N 2 2 284.350 3.033 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(OC(F)F)c2)C1 ZINC000328393362 374366354 /nfs/dbraw/zinc/36/63/54/374366354.db2.gz YNJLTFFVSRVUCC-YPMHNXCESA-N 2 2 284.350 3.033 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(OC(F)F)c2)C1 ZINC000328393359 374366392 /nfs/dbraw/zinc/36/63/92/374366392.db2.gz YNJLTFFVSRVUCC-WCQYABFASA-N 2 2 284.350 3.033 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(OC(F)F)c2)C1 ZINC000328393359 374366395 /nfs/dbraw/zinc/36/63/95/374366395.db2.gz YNJLTFFVSRVUCC-WCQYABFASA-N 2 2 284.350 3.033 10 0 CGAELP C[C@@H](CC1CCC1)[NH2+][C@@H](C[NH+](C)C)c1ccccc1 ZINC000128697477 542053839 /nfs/dbraw/zinc/05/38/39/542053839.db2.gz WRGMIFHPIFERPA-YOEHRIQHSA-N 2 2 260.425 3.458 10 0 CGAELP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@H+](CC)C2)C12CCCCC2 ZINC000226812574 376374950 /nfs/dbraw/zinc/37/49/50/376374950.db2.gz LLPVXYOPMNYXMC-BRWVUGGUSA-N 2 2 294.483 3.188 10 0 CGAELP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@@H+](CC)C2)C12CCCCC2 ZINC000226812574 376374954 /nfs/dbraw/zinc/37/49/54/376374954.db2.gz LLPVXYOPMNYXMC-BRWVUGGUSA-N 2 2 294.483 3.188 10 0 CGAELP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)CC2 ZINC000246271441 377002936 /nfs/dbraw/zinc/00/29/36/377002936.db2.gz AQZGHQRPNRFNLH-MORSLUCNSA-N 2 2 288.435 3.001 10 0 CGAELP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C)CC2 ZINC000246271441 377002942 /nfs/dbraw/zinc/00/29/42/377002942.db2.gz AQZGHQRPNRFNLH-MORSLUCNSA-N 2 2 288.435 3.001 10 0 CGAELP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000248022473 377257740 /nfs/dbraw/zinc/25/77/40/377257740.db2.gz OAPRDBZOGSRTKH-VYDXJSESSA-N 2 2 260.425 3.374 10 0 CGAELP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000248022473 377257747 /nfs/dbraw/zinc/25/77/47/377257747.db2.gz OAPRDBZOGSRTKH-VYDXJSESSA-N 2 2 260.425 3.374 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCC23CCCCC3)C1 ZINC000313008403 285377284 /nfs/dbraw/zinc/37/72/84/285377284.db2.gz NWSZSDCQIXDUHG-CABCVRRESA-N 2 2 250.430 3.173 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCC23CCCCC3)C1 ZINC000313008403 285377285 /nfs/dbraw/zinc/37/72/85/285377285.db2.gz NWSZSDCQIXDUHG-CABCVRRESA-N 2 2 250.430 3.173 10 0 CGAELP CC1(C)CO[C@H](c2ccccc2)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000183172564 392753318 /nfs/dbraw/zinc/75/33/18/392753318.db2.gz PJIAQGBXACJSQW-KRWDZBQOSA-N 2 2 299.418 3.125 10 0 CGAELP CC1(C)CO[C@H](c2ccccc2)C[N@H+]1CCCn1cc[nH+]c1 ZINC000183172564 392753322 /nfs/dbraw/zinc/75/33/22/392753322.db2.gz PJIAQGBXACJSQW-KRWDZBQOSA-N 2 2 299.418 3.125 10 0 CGAELP C[N@@H+]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)C(C)(C)C1 ZINC000675075487 543313271 /nfs/dbraw/zinc/31/32/71/543313271.db2.gz PNEIEHNDWUEASO-ZDUSSCGKSA-N 2 2 287.234 3.423 10 0 CGAELP C[N@H+]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)C(C)(C)C1 ZINC000675075487 543313274 /nfs/dbraw/zinc/31/32/74/543313274.db2.gz PNEIEHNDWUEASO-ZDUSSCGKSA-N 2 2 287.234 3.423 10 0 CGAELP CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[N@H+](CC)C1 ZINC000116386594 287157323 /nfs/dbraw/zinc/15/73/23/287157323.db2.gz BYHFLDRWJKVNGK-DLBZAZTESA-N 2 2 260.425 3.082 10 0 CGAELP CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[N@@H+](CC)C1 ZINC000116386594 287157325 /nfs/dbraw/zinc/15/73/25/287157325.db2.gz BYHFLDRWJKVNGK-DLBZAZTESA-N 2 2 260.425 3.082 10 0 CGAELP Cc1ccccc1C[N@@H+](C)[C@@H](C[NH3+])c1ccccc1C ZINC000020225430 171088787 /nfs/dbraw/zinc/08/87/87/171088787.db2.gz FJBUQYGUZJUZHF-SFHVURJKSA-N 2 2 268.404 3.435 10 0 CGAELP Cc1ccccc1C[N@H+](C)[C@@H](C[NH3+])c1ccccc1C ZINC000020225430 171088790 /nfs/dbraw/zinc/08/87/90/171088790.db2.gz FJBUQYGUZJUZHF-SFHVURJKSA-N 2 2 268.404 3.435 10 0 CGAELP Cc1ccc([C@H](C[NH3+])[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020225533 171089138 /nfs/dbraw/zinc/08/91/38/171089138.db2.gz YKEZEHSRCXOIJR-SFHVURJKSA-N 2 2 266.388 3.053 10 0 CGAELP Cc1ccc([C@H](C[NH3+])[N@H+]2CCc3ccccc3C2)cc1 ZINC000020225533 171089140 /nfs/dbraw/zinc/08/91/40/171089140.db2.gz YKEZEHSRCXOIJR-SFHVURJKSA-N 2 2 266.388 3.053 10 0 CGAELP CC(C)Oc1ccc([C@H](C[NH3+])[N@H+](C)CC(C)(C)C)cc1 ZINC000020226589 171091021 /nfs/dbraw/zinc/09/10/21/171091021.db2.gz MZHVBQWHXSIPRR-INIZCTEOSA-N 2 2 278.440 3.452 10 0 CGAELP CC(C)Oc1ccc([C@H](C[NH3+])[N@@H+](C)CC(C)(C)C)cc1 ZINC000020226589 171091023 /nfs/dbraw/zinc/09/10/23/171091023.db2.gz MZHVBQWHXSIPRR-INIZCTEOSA-N 2 2 278.440 3.452 10 0 CGAELP CCOc1ccccc1[C@H](C[NH3+])[N@H+](C)C1CCCCC1 ZINC000022212790 171374482 /nfs/dbraw/zinc/37/44/82/171374482.db2.gz DDGLBHVNZDTYCI-INIZCTEOSA-N 2 2 276.424 3.350 10 0 CGAELP CCOc1ccccc1[C@H](C[NH3+])[N@@H+](C)C1CCCCC1 ZINC000022212790 171374484 /nfs/dbraw/zinc/37/44/84/171374484.db2.gz DDGLBHVNZDTYCI-INIZCTEOSA-N 2 2 276.424 3.350 10 0 CGAELP CCOc1ccc([C@H](C[NH3+])[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000022213747 171374955 /nfs/dbraw/zinc/37/49/55/171374955.db2.gz ZJYXNAAZHPSOBU-CPUCHLNUSA-N 2 2 276.424 3.063 10 0 CGAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cc(Cl)ccc1Cl ZINC000035504320 172238238 /nfs/dbraw/zinc/23/82/38/172238238.db2.gz XLHDBCBEDPBSJA-NSHDSACASA-N 2 2 270.163 3.220 10 0 CGAELP CCC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cccc(Cl)c1 ZINC000035586600 172285375 /nfs/dbraw/zinc/28/53/75/172285375.db2.gz XJRGEXANGAPOLT-CYBMUJFWSA-N 2 2 263.772 3.347 10 0 CGAELP CC(C)CC[C@](C)(C[NH3+])[N@H+](C)Cc1cccs1 ZINC000035717189 172371020 /nfs/dbraw/zinc/37/10/20/172371020.db2.gz RJZYLOZHRHNEBA-CQSZACIVSA-N 2 2 254.443 3.334 10 0 CGAELP CC(C)CC[C@](C)(C[NH3+])[N@@H+](C)Cc1cccs1 ZINC000035717189 172371022 /nfs/dbraw/zinc/37/10/22/172371022.db2.gz RJZYLOZHRHNEBA-CQSZACIVSA-N 2 2 254.443 3.334 10 0 CGAELP CC[N@H+]([C@@H](C)c1cc2ccccc2o1)[C@H]1CC[NH2+]C1 ZINC000071312230 176118914 /nfs/dbraw/zinc/11/89/14/176118914.db2.gz FPLUPIIDSFRBDD-JSGCOSHPSA-N 2 2 258.365 3.178 10 0 CGAELP CC[N@@H+]([C@@H](C)c1cc2ccccc2o1)[C@H]1CC[NH2+]C1 ZINC000071312230 176118915 /nfs/dbraw/zinc/11/89/15/176118915.db2.gz FPLUPIIDSFRBDD-JSGCOSHPSA-N 2 2 258.365 3.178 10 0 CGAELP CCCCc1ccc([C@@H]([C@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000071587062 176214555 /nfs/dbraw/zinc/21/45/55/176214555.db2.gz JEJACVKSCLGVRO-SJORKVTESA-N 2 2 260.425 3.384 10 0 CGAELP CC1(C)CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)[C@H]21 ZINC000076697524 177060772 /nfs/dbraw/zinc/06/07/72/177060772.db2.gz YHEVCQKICFAAOX-JKSUJKDBSA-N 2 2 258.409 3.039 10 0 CGAELP CC1(C)CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)[C@H]21 ZINC000076697524 177060773 /nfs/dbraw/zinc/06/07/73/177060773.db2.gz YHEVCQKICFAAOX-JKSUJKDBSA-N 2 2 258.409 3.039 10 0 CGAELP Cc1cc2ccccc2[nH+]c1N1CCC[C@H](CC[NH3+])C1 ZINC000070073957 416489321 /nfs/dbraw/zinc/48/93/21/416489321.db2.gz MZADCMURUXDELE-CQSZACIVSA-N 2 2 269.392 3.108 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000037166555 270028668 /nfs/dbraw/zinc/02/86/68/270028668.db2.gz AHSUILRVCUWZPS-NVXWUHKLSA-N 2 2 262.441 3.356 10 0 CGAELP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000042277131 270032189 /nfs/dbraw/zinc/03/21/89/270032189.db2.gz YHZWXCSLHOJFSA-NZSAHSFTSA-N 2 2 286.463 3.472 10 0 CGAELP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000042277131 270032190 /nfs/dbraw/zinc/03/21/90/270032190.db2.gz YHZWXCSLHOJFSA-NZSAHSFTSA-N 2 2 286.463 3.472 10 0 CGAELP CC(C)c1[nH+]c2c(n1C)CCN(c1cc[nH+]cc1Cl)C2 ZINC000176925375 278076203 /nfs/dbraw/zinc/07/62/03/278076203.db2.gz QOOCXVRDAGGMDV-UHFFFAOYSA-N 2 2 290.798 3.155 10 0 CGAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1cc2ccccc2o1 ZINC000396685738 288015482 /nfs/dbraw/zinc/01/54/82/288015482.db2.gz YAKBWYQYHXSRRD-DYEKYZERSA-N 2 2 258.365 3.224 10 0 CGAELP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CCC(C)CC1 ZINC000054601536 521952713 /nfs/dbraw/zinc/95/27/13/521952713.db2.gz PANPZZFXIYLEIV-SVFSVNPNSA-N 2 2 250.430 3.170 10 0 CGAELP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CCC(C)CC1 ZINC000054601536 521952718 /nfs/dbraw/zinc/95/27/18/521952718.db2.gz PANPZZFXIYLEIV-SVFSVNPNSA-N 2 2 250.430 3.170 10 0 CGAELP CCCC1CC[NH+]([C@@]2(C[NH3+])CCC[C@H](C)C2)CC1 ZINC000050893302 519903122 /nfs/dbraw/zinc/90/31/22/519903122.db2.gz CIVUOKMTVOZGDE-HOCLYGCPSA-N 2 2 252.446 3.406 10 0 CGAELP CC[NH2+]C[C@@H](C(C)C)[N@H+](C)Cc1cccc(Cl)c1 ZINC000052507858 519929609 /nfs/dbraw/zinc/92/96/09/519929609.db2.gz BUUBETQUPRBEEY-HNNXBMFYSA-N 2 2 268.832 3.406 10 0 CGAELP CC[NH2+]C[C@@H](C(C)C)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000052507858 519929613 /nfs/dbraw/zinc/92/96/13/519929613.db2.gz BUUBETQUPRBEEY-HNNXBMFYSA-N 2 2 268.832 3.406 10 0 CGAELP CC[NH2+]C[C@H](CC)[N@H+](C)Cc1cccc(Br)c1 ZINC000052545103 519971966 /nfs/dbraw/zinc/97/19/66/519971966.db2.gz OKFKNYZHOJQVGK-AWEZNQCLSA-N 2 2 299.256 3.269 10 0 CGAELP CC[NH2+]C[C@H](CC)[N@@H+](C)Cc1cccc(Br)c1 ZINC000052545103 519971973 /nfs/dbraw/zinc/97/19/73/519971973.db2.gz OKFKNYZHOJQVGK-AWEZNQCLSA-N 2 2 299.256 3.269 10 0 CGAELP CC[NH2+][C@H]1CC[N@@H+]([C@@H](c2cccs2)C(C)C)C1 ZINC000049557873 520216467 /nfs/dbraw/zinc/21/64/67/520216467.db2.gz SWUIGHSHBQSHNN-GXTWGEPZSA-N 2 2 252.427 3.129 10 0 CGAELP CC[NH2+][C@H]1CC[N@H+]([C@@H](c2cccs2)C(C)C)C1 ZINC000049557873 520216473 /nfs/dbraw/zinc/21/64/73/520216473.db2.gz SWUIGHSHBQSHNN-GXTWGEPZSA-N 2 2 252.427 3.129 10 0 CGAELP Cc1cccc([C@@H]2[C@H]([NH3+])CC[N@@H+]2Cc2ccccc2)c1 ZINC000096947852 185137722 /nfs/dbraw/zinc/13/77/22/185137722.db2.gz JGLYJTNUHMKDRV-QZTJIDSGSA-N 2 2 266.388 3.269 10 0 CGAELP Cc1cccc([C@@H]2[C@H]([NH3+])CC[N@H+]2Cc2ccccc2)c1 ZINC000096947852 185137723 /nfs/dbraw/zinc/13/77/23/185137723.db2.gz JGLYJTNUHMKDRV-QZTJIDSGSA-N 2 2 266.388 3.269 10 0 CGAELP [NH3+]CC[N@@H+]1CCCCC[C@@H]1c1nccc2ccccc21 ZINC000616625155 348850035 /nfs/dbraw/zinc/85/00/35/348850035.db2.gz WSNTZNIAEHWWPE-MRXNPFEDSA-N 2 2 269.392 3.111 10 0 CGAELP [NH3+]CC[N@H+]1CCCCC[C@@H]1c1nccc2ccccc21 ZINC000616625155 348850038 /nfs/dbraw/zinc/85/00/38/348850038.db2.gz WSNTZNIAEHWWPE-MRXNPFEDSA-N 2 2 269.392 3.111 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000122950596 187061470 /nfs/dbraw/zinc/06/14/70/187061470.db2.gz SRUOCNNUFIONQW-AWEZNQCLSA-N 2 2 275.421 3.344 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000122950596 187061471 /nfs/dbraw/zinc/06/14/71/187061471.db2.gz SRUOCNNUFIONQW-AWEZNQCLSA-N 2 2 275.421 3.344 10 0 CGAELP CC[C@@H]([NH2+][C@H]1CCC[N@H+](CC)C1)c1ccc(OC)cc1 ZINC000040502310 369158438 /nfs/dbraw/zinc/15/84/38/369158438.db2.gz XCAVGJKKFOQTTL-DOTOQJQBSA-N 2 2 276.424 3.220 10 0 CGAELP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)c1ccc(OC)cc1 ZINC000040502310 369158439 /nfs/dbraw/zinc/15/84/39/369158439.db2.gz XCAVGJKKFOQTTL-DOTOQJQBSA-N 2 2 276.424 3.220 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000041075812 369172209 /nfs/dbraw/zinc/17/22/09/369172209.db2.gz QHZOKXFGHXUCNZ-SJORKVTESA-N 2 2 258.409 3.212 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000041075812 369172211 /nfs/dbraw/zinc/17/22/11/369172211.db2.gz QHZOKXFGHXUCNZ-SJORKVTESA-N 2 2 258.409 3.212 10 0 CGAELP Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)o1 ZINC000049900497 369422766 /nfs/dbraw/zinc/42/27/66/369422766.db2.gz RCQNAXUGOTXTIH-UONOGXRCSA-N 2 2 250.386 3.113 10 0 CGAELP Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)o1 ZINC000049900497 369422769 /nfs/dbraw/zinc/42/27/69/369422769.db2.gz RCQNAXUGOTXTIH-UONOGXRCSA-N 2 2 250.386 3.113 10 0 CGAELP Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)o1 ZINC000049900495 369422999 /nfs/dbraw/zinc/42/29/99/369422999.db2.gz RCQNAXUGOTXTIH-KBPBESRZSA-N 2 2 250.386 3.113 10 0 CGAELP Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)o1 ZINC000049900495 369423001 /nfs/dbraw/zinc/42/30/01/369423001.db2.gz RCQNAXUGOTXTIH-KBPBESRZSA-N 2 2 250.386 3.113 10 0 CGAELP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)C12CC3CC(CC(C3)C1)C2 ZINC000054762927 369505645 /nfs/dbraw/zinc/50/56/45/369505645.db2.gz AAIVBAODLTVMHH-IKMFHRHGSA-N 2 2 259.397 3.104 10 0 CGAELP Cc1cc(F)ccc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812710 370104035 /nfs/dbraw/zinc/10/40/35/370104035.db2.gz YEEZVBGVTSGVEU-OAHLLOKOSA-N 2 2 299.393 3.463 10 0 CGAELP Cc1cc(F)ccc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812710 370104042 /nfs/dbraw/zinc/10/40/42/370104042.db2.gz YEEZVBGVTSGVEU-OAHLLOKOSA-N 2 2 299.393 3.463 10 0 CGAELP C[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC000097929395 370257642 /nfs/dbraw/zinc/25/76/42/370257642.db2.gz KUCGRKMKEUFRDT-KGLIPLIRSA-N 2 2 252.446 3.275 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+]C[C@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000300077575 373618062 /nfs/dbraw/zinc/61/80/62/373618062.db2.gz DGTMVYBWZSBVKF-BMFZPTHFSA-N 2 2 250.430 3.053 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+]C[C@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000300077575 373618068 /nfs/dbraw/zinc/61/80/68/373618068.db2.gz DGTMVYBWZSBVKF-BMFZPTHFSA-N 2 2 250.430 3.053 10 0 CGAELP COc1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)ccc1C ZINC000194043037 375953222 /nfs/dbraw/zinc/95/32/22/375953222.db2.gz LSZYHNDQBCYFTK-QGZVFWFLSA-N 2 2 299.418 3.173 10 0 CGAELP COc1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)ccc1C ZINC000194043037 375953232 /nfs/dbraw/zinc/95/32/32/375953232.db2.gz LSZYHNDQBCYFTK-QGZVFWFLSA-N 2 2 299.418 3.173 10 0 CGAELP C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)[C@H]1CCC[NH2+]1 ZINC000400333976 379947873 /nfs/dbraw/zinc/94/78/73/379947873.db2.gz CPIIPTVBIZRRCV-KXUCPTDWSA-N 2 2 258.818 3.193 10 0 CGAELP C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000249462584 542340098 /nfs/dbraw/zinc/34/00/98/542340098.db2.gz FUUZTIDQHWSCNC-WMZOPIPTSA-N 2 2 283.419 3.226 10 0 CGAELP C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000249462584 542340102 /nfs/dbraw/zinc/34/01/02/542340102.db2.gz FUUZTIDQHWSCNC-WMZOPIPTSA-N 2 2 283.419 3.226 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](CCC(C)C)C2CC2)C1 ZINC000310688791 285269558 /nfs/dbraw/zinc/26/95/58/285269558.db2.gz WCYJRPOVLYZSPP-JKSUJKDBSA-N 2 2 252.446 3.275 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](CCC(C)C)C2CC2)C1 ZINC000310688791 285269563 /nfs/dbraw/zinc/26/95/63/285269563.db2.gz WCYJRPOVLYZSPP-JKSUJKDBSA-N 2 2 252.446 3.275 10 0 CGAELP C/C(=C/c1ccccc1)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000588619556 542769752 /nfs/dbraw/zinc/76/97/52/542769752.db2.gz MLTJCUXWLVMBQP-XSVZSIDJSA-N 2 2 281.403 3.451 10 0 CGAELP C/C(=C/c1ccccc1)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000588619556 542769757 /nfs/dbraw/zinc/76/97/57/542769757.db2.gz MLTJCUXWLVMBQP-XSVZSIDJSA-N 2 2 281.403 3.451 10 0 CGAELP C[C@H]([NH2+]Cc1ccncc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000020140548 171026884 /nfs/dbraw/zinc/02/68/84/171026884.db2.gz NWQHXJHSRUSDBR-AWEZNQCLSA-N 2 2 278.359 3.118 10 0 CGAELP C[C@@H](c1ccccc1C(F)(F)F)[NH+]1CCC([NH3+])CC1 ZINC000020521610 171234987 /nfs/dbraw/zinc/23/49/87/171234987.db2.gz JPVYUUOCTKKAGB-JTQLQIEISA-N 2 2 272.314 3.190 10 0 CGAELP [NH3+]CC1([NH+]2CCOCC2)CCCCCCCCCCC1 ZINC000020558712 171251272 /nfs/dbraw/zinc/25/12/72/171251272.db2.gz SHYSMXRWBFCCRW-UHFFFAOYSA-N 2 2 282.472 3.321 10 0 CGAELP CC(C)[N@H+](C)[C@@H](C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000022175209 171370053 /nfs/dbraw/zinc/37/00/53/171370053.db2.gz NNAAMTBPOFERFG-LBPRGKRZSA-N 2 2 260.303 3.045 10 0 CGAELP CC(C)[N@@H+](C)[C@@H](C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000022175209 171370056 /nfs/dbraw/zinc/37/00/56/171370056.db2.gz NNAAMTBPOFERFG-LBPRGKRZSA-N 2 2 260.303 3.045 10 0 CGAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1ccc(F)cc1F ZINC000022214226 171375125 /nfs/dbraw/zinc/37/51/25/171375125.db2.gz XUKPJRGYXRWWAJ-AWEZNQCLSA-N 2 2 256.340 3.087 10 0 CGAELP Cc1ccc(C)c([C@H]([NH3+])C[N@@H+]2CCc3ccccc3C2)c1 ZINC000022562801 171391159 /nfs/dbraw/zinc/39/11/59/171391159.db2.gz BOZAOHZZTKRWBF-LJQANCHMSA-N 2 2 280.415 3.362 10 0 CGAELP Cc1ccc(C)c([C@H]([NH3+])C[N@H+]2CCc3ccccc3C2)c1 ZINC000022562801 171391161 /nfs/dbraw/zinc/39/11/61/171391161.db2.gz BOZAOHZZTKRWBF-LJQANCHMSA-N 2 2 280.415 3.362 10 0 CGAELP Cc1ccc([C@H](C[NH3+])[N@H+](C)Cc2ccc(C)cc2)s1 ZINC000037328320 173128728 /nfs/dbraw/zinc/12/87/28/173128728.db2.gz FOERYIOBLBUZPQ-HNNXBMFYSA-N 2 2 274.433 3.497 10 0 CGAELP Cc1ccc([C@H](C[NH3+])[N@@H+](C)Cc2ccc(C)cc2)s1 ZINC000037328320 173128730 /nfs/dbraw/zinc/12/87/30/173128730.db2.gz FOERYIOBLBUZPQ-HNNXBMFYSA-N 2 2 274.433 3.497 10 0 CGAELP CCc1ccc([C@@H](C)[N@@H+](CC)[C@@H]2CC[NH2+]C2)s1 ZINC000071312351 176119233 /nfs/dbraw/zinc/11/92/33/176119233.db2.gz TYYNLALNNOMLRU-VXGBXAGGSA-N 2 2 252.427 3.055 10 0 CGAELP CCc1ccc([C@@H](C)[N@H+](CC)[C@@H]2CC[NH2+]C2)s1 ZINC000071312351 176119235 /nfs/dbraw/zinc/11/92/35/176119235.db2.gz TYYNLALNNOMLRU-VXGBXAGGSA-N 2 2 252.427 3.055 10 0 CGAELP C[C@H]([NH2+][C@H](C[NH+](C)C)c1ccccc1)[C@@H]1CC1(C)C ZINC000397781023 288030448 /nfs/dbraw/zinc/03/04/48/288030448.db2.gz OKTHQWWLRUDERX-CWRNSKLLSA-N 2 2 260.425 3.314 10 0 CGAELP CC[C@@H](C[NH2+]C(C)C)[N@H+](Cc1cccs1)C1CC1 ZINC000052370635 522544330 /nfs/dbraw/zinc/54/43/30/522544330.db2.gz ZRYYJJKQDIOHBY-ZDUSSCGKSA-N 2 2 266.454 3.489 10 0 CGAELP CC[C@@H](C[NH2+]C(C)C)[N@@H+](Cc1cccs1)C1CC1 ZINC000052370635 522544337 /nfs/dbraw/zinc/54/43/37/522544337.db2.gz ZRYYJJKQDIOHBY-ZDUSSCGKSA-N 2 2 266.454 3.489 10 0 CGAELP CC[N@H+]([C@@H](C[NH2+]CC(C)C)c1ccccc1)C1CC1 ZINC000052452324 521472403 /nfs/dbraw/zinc/47/24/03/521472403.db2.gz NGVWMJGNVQCSHZ-KRWDZBQOSA-N 2 2 260.425 3.458 10 0 CGAELP CC[N@@H+]([C@@H](C[NH2+]CC(C)C)c1ccccc1)C1CC1 ZINC000052452324 521472412 /nfs/dbraw/zinc/47/24/12/521472412.db2.gz NGVWMJGNVQCSHZ-KRWDZBQOSA-N 2 2 260.425 3.458 10 0 CGAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)C1CCC(C(C)(C)C)CC1 ZINC000054667870 522476054 /nfs/dbraw/zinc/47/60/54/522476054.db2.gz GZGDCNRABFNPGZ-JXQTWKCFSA-N 2 2 263.429 3.393 10 0 CGAELP CCCCCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000157742373 639993190 /nfs/dbraw/zinc/99/31/90/639993190.db2.gz YIKMBDJKZUKGHB-HNNXBMFYSA-N 2 2 261.413 3.396 10 0 CGAELP CCCCCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000157742373 639993214 /nfs/dbraw/zinc/99/32/14/639993214.db2.gz YIKMBDJKZUKGHB-HNNXBMFYSA-N 2 2 261.413 3.396 10 0 CGAELP C[C@@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2)CC(C)(C)C1 ZINC000044353240 345009599 /nfs/dbraw/zinc/00/95/99/345009599.db2.gz GNFNGBCVPFLZNG-CABCVRRESA-N 2 2 263.429 3.468 10 0 CGAELP Cc1cc[nH+]cc1N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000307398129 346462279 /nfs/dbraw/zinc/46/22/79/346462279.db2.gz XUHIIMICZOLEBA-WBVHZDCISA-N 2 2 281.403 3.465 10 0 CGAELP Cc1cc[nH+]cc1N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000307398129 346462283 /nfs/dbraw/zinc/46/22/83/346462283.db2.gz XUHIIMICZOLEBA-WBVHZDCISA-N 2 2 281.403 3.465 10 0 CGAELP c1c[nH+]c([C@H]2CCCC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000616627232 348851036 /nfs/dbraw/zinc/85/10/36/348851036.db2.gz DHTPCBKUKSJGKP-HNNXBMFYSA-N 2 2 255.365 3.179 10 0 CGAELP c1c[nH+]c([C@H]2CCCC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000616627232 348851040 /nfs/dbraw/zinc/85/10/40/348851040.db2.gz DHTPCBKUKSJGKP-HNNXBMFYSA-N 2 2 255.365 3.179 10 0 CGAELP C[NH2+]CC1(C[N@H+](C)Cc2scnc2C)CCCCC1 ZINC000104449404 186006257 /nfs/dbraw/zinc/00/62/57/186006257.db2.gz KESDBBCBZZHGPK-UHFFFAOYSA-N 2 2 281.469 3.053 10 0 CGAELP C[NH2+]CC1(C[N@@H+](C)Cc2scnc2C)CCCCC1 ZINC000104449404 186006258 /nfs/dbraw/zinc/00/62/58/186006258.db2.gz KESDBBCBZZHGPK-UHFFFAOYSA-N 2 2 281.469 3.053 10 0 CGAELP CSc1ccc([C@H](C[NH3+])[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000034938061 368980548 /nfs/dbraw/zinc/98/05/48/368980548.db2.gz BGQBYQOTZWLJKW-IOASZLSFSA-N 2 2 278.465 3.386 10 0 CGAELP CCc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](CC)C2)cc1 ZINC000040502409 369158361 /nfs/dbraw/zinc/15/83/61/369158361.db2.gz CVFMUASYPUGTEP-PBHICJAKSA-N 2 2 260.425 3.384 10 0 CGAELP CCc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@H+](CC)C2)cc1 ZINC000040502409 369158363 /nfs/dbraw/zinc/15/83/63/369158363.db2.gz CVFMUASYPUGTEP-PBHICJAKSA-N 2 2 260.425 3.384 10 0 CGAELP Cc1ccc2cc(C[NH2+][C@H]3C[N@H+](C(C)C)C[C@@H]3C)ccc2n1 ZINC000189380668 375378662 /nfs/dbraw/zinc/37/86/62/375378662.db2.gz DMKUWLYUFFBPKI-LIRRHRJNSA-N 2 2 297.446 3.362 10 0 CGAELP Cc1ccc2cc(C[NH2+][C@H]3C[N@@H+](C(C)C)C[C@@H]3C)ccc2n1 ZINC000189380668 375378667 /nfs/dbraw/zinc/37/86/67/375378667.db2.gz DMKUWLYUFFBPKI-LIRRHRJNSA-N 2 2 297.446 3.362 10 0 CGAELP C(=C/c1ccccc1)\C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000136080460 542090523 /nfs/dbraw/zinc/09/05/23/542090523.db2.gz FDNISPIATCKVKM-AUNFYEFLSA-N 2 2 267.376 3.061 10 0 CGAELP C(=C/c1ccccc1)\C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000136080460 542090525 /nfs/dbraw/zinc/09/05/25/542090525.db2.gz FDNISPIATCKVKM-AUNFYEFLSA-N 2 2 267.376 3.061 10 0 CGAELP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000246294673 377006669 /nfs/dbraw/zinc/00/66/69/377006669.db2.gz PDNZSIZLICAJLE-WBVHZDCISA-N 2 2 269.392 3.275 10 0 CGAELP CC[C@H](C)C[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000188648063 249058611 /nfs/dbraw/zinc/05/86/11/249058611.db2.gz HNACVIWBZVQBOE-DZGCQCFKSA-N 2 2 295.496 3.251 10 0 CGAELP CC[C@H](C)C[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000188648063 249058613 /nfs/dbraw/zinc/05/86/13/249058613.db2.gz HNACVIWBZVQBOE-DZGCQCFKSA-N 2 2 295.496 3.251 10 0 CGAELP CC[C@H](C)C[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000188648063 249058615 /nfs/dbraw/zinc/05/86/15/249058615.db2.gz HNACVIWBZVQBOE-DZGCQCFKSA-N 2 2 295.496 3.251 10 0 CGAELP CC[C@H](C)C[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000188648063 249058617 /nfs/dbraw/zinc/05/86/17/249058617.db2.gz HNACVIWBZVQBOE-DZGCQCFKSA-N 2 2 295.496 3.251 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+]C/C(C)=C\c2ccccc2)C1 ZINC000254970630 377719250 /nfs/dbraw/zinc/71/92/50/377719250.db2.gz IRQFJBBCIINUKY-MLRPBERTSA-N 2 2 258.409 3.164 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+]C/C(C)=C\c2ccccc2)C1 ZINC000254970630 377719257 /nfs/dbraw/zinc/71/92/57/377719257.db2.gz IRQFJBBCIINUKY-MLRPBERTSA-N 2 2 258.409 3.164 10 0 CGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000195248938 542279312 /nfs/dbraw/zinc/27/93/12/542279312.db2.gz HWRJNCCJQWZXCD-AWEZNQCLSA-N 2 2 293.480 3.148 10 0 CGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000195248938 542279295 /nfs/dbraw/zinc/27/92/95/542279295.db2.gz HWRJNCCJQWZXCD-AWEZNQCLSA-N 2 2 293.480 3.148 10 0 CGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000195248938 542279301 /nfs/dbraw/zinc/27/93/01/542279301.db2.gz HWRJNCCJQWZXCD-AWEZNQCLSA-N 2 2 293.480 3.148 10 0 CGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000195248938 542279306 /nfs/dbraw/zinc/27/93/06/542279306.db2.gz HWRJNCCJQWZXCD-AWEZNQCLSA-N 2 2 293.480 3.148 10 0 CGAELP Cc1cc[nH+]cc1N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000071413617 392190983 /nfs/dbraw/zinc/19/09/83/392190983.db2.gz MLLLWXVHRHXWKX-QGZVFWFLSA-N 2 2 281.403 3.467 10 0 CGAELP CCCOc1cccc([C@H](C[NH3+])[N@H+](C)CC(C)C)c1 ZINC000020226617 171091628 /nfs/dbraw/zinc/09/16/28/171091628.db2.gz DLQOVMGDKWYWFP-INIZCTEOSA-N 2 2 264.413 3.063 10 0 CGAELP CCCOc1cccc([C@H](C[NH3+])[N@@H+](C)CC(C)C)c1 ZINC000020226617 171091630 /nfs/dbraw/zinc/09/16/30/171091630.db2.gz DLQOVMGDKWYWFP-INIZCTEOSA-N 2 2 264.413 3.063 10 0 CGAELP C[C@H]1CCC[C@@H]([NH2+][C@@H](C[NH+](C)C)c2ccccc2)C1 ZINC000020561321 171251861 /nfs/dbraw/zinc/25/18/61/171251861.db2.gz FTUNIKSAAGBKJS-UAGQMJEPSA-N 2 2 260.425 3.458 10 0 CGAELP CC[NH+](CC)[C@H](C[NH3+])c1ccc2cc(OC)ccc2c1 ZINC000022172362 171369039 /nfs/dbraw/zinc/36/90/39/171369039.db2.gz MMUIIPBDYOFJJL-QGZVFWFLSA-N 2 2 272.392 3.190 10 0 CGAELP C[C@H](C[NH+]1CCCCC1)[NH2+]CCCc1ccccc1 ZINC000035258950 172090769 /nfs/dbraw/zinc/09/07/69/172090769.db2.gz KLDLAFJKZFEBGZ-MRXNPFEDSA-N 2 2 260.425 3.083 10 0 CGAELP [NH3+][C@H](Cn1cc[nH+]c1)c1ccc(-c2ccccc2)cc1 ZINC000038808939 174156543 /nfs/dbraw/zinc/15/65/43/174156543.db2.gz PBHNZDOXBGKGOY-QGZVFWFLSA-N 2 2 263.344 3.250 10 0 CGAELP CCC[NH+](CCC)[C@H](C[NH3+])c1ccc(OCC)cc1 ZINC000038827620 174157172 /nfs/dbraw/zinc/15/71/72/174157172.db2.gz RVZRKTMVGCVOCW-MRXNPFEDSA-N 2 2 264.413 3.207 10 0 CGAELP CCC[NH+](CCC)[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000039142641 174164628 /nfs/dbraw/zinc/16/46/28/174164628.db2.gz LBWKXYSVGLBMGA-CQSZACIVSA-N 2 2 254.805 3.462 10 0 CGAELP C[NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCCC1 ZINC000039978700 174181226 /nfs/dbraw/zinc/18/12/26/174181226.db2.gz KAVSZQWQQFZXIU-ZDUSSCGKSA-N 2 2 272.314 3.062 10 0 CGAELP Cc1cccc(NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)[nH+]1 ZINC000040670062 174368318 /nfs/dbraw/zinc/36/83/18/174368318.db2.gz NRSOGEGZAYUQRR-XJKSGUPXSA-N 2 2 261.413 3.312 10 0 CGAELP Cc1cc(C(C)(C)C)cc(C)c1CC[N@H+](C)CC[NH3+] ZINC000076358151 177000007 /nfs/dbraw/zinc/00/00/07/177000007.db2.gz SQOGAZNZKFLRNF-UHFFFAOYSA-N 2 2 262.441 3.034 10 0 CGAELP Cc1cc(C(C)(C)C)cc(C)c1CC[N@@H+](C)CC[NH3+] ZINC000076358151 177000009 /nfs/dbraw/zinc/00/00/09/177000009.db2.gz SQOGAZNZKFLRNF-UHFFFAOYSA-N 2 2 262.441 3.034 10 0 CGAELP Cc1cc2ccccc2[nH+]c1NC1CCC([NH3+])CC1 ZINC000063105507 416487993 /nfs/dbraw/zinc/48/79/93/416487993.db2.gz ULCUDRCTOMKUQY-UHFFFAOYSA-N 2 2 255.365 3.225 10 0 CGAELP CC(C)C[C@@H](C)[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671375 270029775 /nfs/dbraw/zinc/02/97/75/270029775.db2.gz SJWPEZKNASDDIZ-SJLPKXTDSA-N 2 2 274.452 3.328 10 0 CGAELP CC(C)C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671375 270029776 /nfs/dbraw/zinc/02/97/76/270029776.db2.gz SJWPEZKNASDDIZ-SJLPKXTDSA-N 2 2 274.452 3.328 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000247007154 276179164 /nfs/dbraw/zinc/17/91/64/276179164.db2.gz SZPYQKPXZRBTAR-AVGNSLFASA-N 2 2 278.362 3.181 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000247007154 276179165 /nfs/dbraw/zinc/17/91/65/276179165.db2.gz SZPYQKPXZRBTAR-AVGNSLFASA-N 2 2 278.362 3.181 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000250219533 276376051 /nfs/dbraw/zinc/37/60/51/276376051.db2.gz DPOQBGXPPCYBSB-ILXRZTDVSA-N 2 2 252.446 3.275 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000250219533 276376053 /nfs/dbraw/zinc/37/60/53/276376053.db2.gz DPOQBGXPPCYBSB-ILXRZTDVSA-N 2 2 252.446 3.275 10 0 CGAELP Cc1cccc(N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000301945825 281248209 /nfs/dbraw/zinc/24/82/09/281248209.db2.gz XHJWVWDTCCOVDK-DOTOQJQBSA-N 2 2 281.403 3.465 10 0 CGAELP Cc1cccc(N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000301945825 281248211 /nfs/dbraw/zinc/24/82/11/281248211.db2.gz XHJWVWDTCCOVDK-DOTOQJQBSA-N 2 2 281.403 3.465 10 0 CGAELP CC[NH2+]C1CC[NH+]([C@@H](C)c2cccc(Cl)c2)CC1 ZINC000049526034 519909178 /nfs/dbraw/zinc/90/91/78/519909178.db2.gz DJXLMRQDTBVTSA-LBPRGKRZSA-N 2 2 266.816 3.475 10 0 CGAELP CC(C)(C)[NH2+]Cc1nc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)cs1 ZINC000052543781 518768710 /nfs/dbraw/zinc/76/87/10/518768710.db2.gz HPVGADXXZUQKKL-WCQYABFASA-N 2 2 279.453 3.016 10 0 CGAELP CC(C)(C)[NH2+]Cc1nc(C[N@H+]2C[C@H]3CC[C@@H]2C3)cs1 ZINC000052543781 518768715 /nfs/dbraw/zinc/76/87/15/518768715.db2.gz HPVGADXXZUQKKL-WCQYABFASA-N 2 2 279.453 3.016 10 0 CGAELP CC[C@](C)(C[NH2+]C)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000051251550 523464606 /nfs/dbraw/zinc/46/46/06/523464606.db2.gz ZKQJGRFSRKATJL-CYBMUJFWSA-N 2 2 274.861 3.469 10 0 CGAELP CC[C@](C)(C[NH2+]C)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000051251550 523464615 /nfs/dbraw/zinc/46/46/15/523464615.db2.gz ZKQJGRFSRKATJL-CYBMUJFWSA-N 2 2 274.861 3.469 10 0 CGAELP C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1cccc(-n2cc[nH+]c2)c1 ZINC000902812285 621461609 /nfs/dbraw/zinc/46/16/09/621461609.db2.gz RFDPRGXBQAVKMB-LESCRADOSA-N 2 2 299.418 3.074 10 0 CGAELP CCc1[nH+]c2ccccc2n1CC[NH2+]Cc1cccs1 ZINC000062136874 345237678 /nfs/dbraw/zinc/23/76/78/345237678.db2.gz SHFCZQFOKNNPHF-UHFFFAOYSA-N 2 2 285.416 3.450 10 0 CGAELP C[NH2+]CCCCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000098160017 185694395 /nfs/dbraw/zinc/69/43/95/185694395.db2.gz YJBUOHOSFNWSTR-UHFFFAOYSA-N 2 2 257.381 3.222 10 0 CGAELP c1cn([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)c[nH+]1 ZINC000616610623 348844942 /nfs/dbraw/zinc/84/49/42/348844942.db2.gz NOSBBCHLPNSYDH-MRXNPFEDSA-N 2 2 255.365 3.110 10 0 CGAELP c1cn([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)c[nH+]1 ZINC000616610623 348844946 /nfs/dbraw/zinc/84/49/46/348844946.db2.gz NOSBBCHLPNSYDH-MRXNPFEDSA-N 2 2 255.365 3.110 10 0 CGAELP [NH3+]CC[N@@H+]1CCCCC[C@H]1c1ccccc1Cl ZINC000616625112 348849904 /nfs/dbraw/zinc/84/99/04/348849904.db2.gz LKRDUIRPZDLZFD-AWEZNQCLSA-N 2 2 252.789 3.216 10 0 CGAELP [NH3+]CC[N@H+]1CCCCC[C@H]1c1ccccc1Cl ZINC000616625112 348849907 /nfs/dbraw/zinc/84/99/07/348849907.db2.gz LKRDUIRPZDLZFD-AWEZNQCLSA-N 2 2 252.789 3.216 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000122863164 187056581 /nfs/dbraw/zinc/05/65/81/187056581.db2.gz ZLKQDEITIFIVSM-ZDUSSCGKSA-N 2 2 275.421 3.344 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000122863164 187056582 /nfs/dbraw/zinc/05/65/82/187056582.db2.gz ZLKQDEITIFIVSM-ZDUSSCGKSA-N 2 2 275.421 3.344 10 0 CGAELP CCOc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178329083 189107782 /nfs/dbraw/zinc/10/77/82/189107782.db2.gz LZKZXQAOOLJMOW-KRWDZBQOSA-N 2 2 299.418 3.255 10 0 CGAELP CCOc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178329083 189107783 /nfs/dbraw/zinc/10/77/83/189107783.db2.gz LZKZXQAOOLJMOW-KRWDZBQOSA-N 2 2 299.418 3.255 10 0 CGAELP C[C@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)c1nccs1 ZINC000093403284 370124166 /nfs/dbraw/zinc/12/41/66/370124166.db2.gz XVPJAWMNFNKXDZ-ZDUSSCGKSA-N 2 2 293.480 3.448 10 0 CGAELP Fc1ccccc1CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000137584162 371500003 /nfs/dbraw/zinc/50/00/03/371500003.db2.gz AEIRIVKGUSWWRP-OAHLLOKOSA-N 2 2 299.393 3.197 10 0 CGAELP CCc1ccccc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000189079968 375320241 /nfs/dbraw/zinc/32/02/41/375320241.db2.gz DYJYQDLCWOIMLQ-GOSISDBHSA-N 2 2 283.419 3.419 10 0 CGAELP CCc1ccccc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000189079968 375320247 /nfs/dbraw/zinc/32/02/47/375320247.db2.gz DYJYQDLCWOIMLQ-GOSISDBHSA-N 2 2 283.419 3.419 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H]1CC=CCC1 ZINC000245728769 376892435 /nfs/dbraw/zinc/89/24/35/376892435.db2.gz JJFRCHNYKOMAQJ-HZPDHXFCSA-N 2 2 259.397 3.012 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H]1CC=CCC1 ZINC000245728769 376892448 /nfs/dbraw/zinc/89/24/48/376892448.db2.gz JJFRCHNYKOMAQJ-HZPDHXFCSA-N 2 2 259.397 3.012 10 0 CGAELP C[C@@H]1CC[N@H+](Cc2cnc(Cl)s2)C[C@H]1n1cc[nH+]c1 ZINC000246539018 377050119 /nfs/dbraw/zinc/05/01/19/377050119.db2.gz KHOPGOUGVNTPOU-ZYHUDNBSSA-N 2 2 296.827 3.076 10 0 CGAELP C[C@@H]1CC[N@@H+](Cc2cnc(Cl)s2)C[C@H]1n1cc[nH+]c1 ZINC000246539018 377050124 /nfs/dbraw/zinc/05/01/24/377050124.db2.gz KHOPGOUGVNTPOU-ZYHUDNBSSA-N 2 2 296.827 3.076 10 0 CGAELP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246919100 377119763 /nfs/dbraw/zinc/11/97/63/377119763.db2.gz GPQISQIHPAWCPF-UIBIWLFHSA-N 2 2 289.467 3.316 10 0 CGAELP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246919100 377119770 /nfs/dbraw/zinc/11/97/70/377119770.db2.gz GPQISQIHPAWCPF-UIBIWLFHSA-N 2 2 289.467 3.316 10 0 CGAELP C[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000247297677 377190366 /nfs/dbraw/zinc/19/03/66/377190366.db2.gz ZNBUSXYSNXDYKU-MLGOLLRUSA-N 2 2 291.345 3.244 10 0 CGAELP C[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000247297677 377190375 /nfs/dbraw/zinc/19/03/75/377190375.db2.gz ZNBUSXYSNXDYKU-MLGOLLRUSA-N 2 2 291.345 3.244 10 0 CGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3sccc3Cl)CC[C@H]21 ZINC000248823841 377406412 /nfs/dbraw/zinc/40/64/12/377406412.db2.gz YYXRLBUWWNKPRG-WCQYABFASA-N 2 2 284.856 3.318 10 0 CGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3sccc3Cl)CC[C@H]21 ZINC000248823841 377406415 /nfs/dbraw/zinc/40/64/15/377406415.db2.gz YYXRLBUWWNKPRG-WCQYABFASA-N 2 2 284.856 3.318 10 0 CGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3sccc3Cl)CC[C@H]21 ZINC000248823841 377406421 /nfs/dbraw/zinc/40/64/21/377406421.db2.gz YYXRLBUWWNKPRG-WCQYABFASA-N 2 2 284.856 3.318 10 0 CGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3sccc3Cl)CC[C@H]21 ZINC000248823841 377406428 /nfs/dbraw/zinc/40/64/28/377406428.db2.gz YYXRLBUWWNKPRG-WCQYABFASA-N 2 2 284.856 3.318 10 0 CGAELP Cc1[nH+]cc(C[NH2+][C@H]2CC[C@H](C)c3ccccc32)n1C ZINC000579026096 378124343 /nfs/dbraw/zinc/12/43/43/378124343.db2.gz SARUPZSMWPNQAD-SJCJKPOMSA-N 2 2 269.392 3.457 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](c2ccc(C)cc2)C2CC2)C1 ZINC000389304845 379896795 /nfs/dbraw/zinc/89/67/95/379896795.db2.gz FFDAMGHSJRJKRJ-DLBZAZTESA-N 2 2 258.409 3.130 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+][C@H](c2ccc(C)cc2)C2CC2)C1 ZINC000389304845 379896799 /nfs/dbraw/zinc/89/67/99/379896799.db2.gz FFDAMGHSJRJKRJ-DLBZAZTESA-N 2 2 258.409 3.130 10 0 CGAELP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000246919078 393066582 /nfs/dbraw/zinc/06/65/82/393066582.db2.gz GPQISQIHPAWCPF-OVWQWFNUSA-N 2 2 289.467 3.316 10 0 CGAELP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000246919078 393066584 /nfs/dbraw/zinc/06/65/84/393066584.db2.gz GPQISQIHPAWCPF-OVWQWFNUSA-N 2 2 289.467 3.316 10 0 CGAELP C[N@H+](CCc1ccccc1)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000020225687 171088060 /nfs/dbraw/zinc/08/80/60/171088060.db2.gz MFAUPPKEGWDOOS-QGZVFWFLSA-N 2 2 272.367 3.000 10 0 CGAELP C[N@@H+](CCc1ccccc1)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000020225687 171088062 /nfs/dbraw/zinc/08/80/62/171088062.db2.gz MFAUPPKEGWDOOS-QGZVFWFLSA-N 2 2 272.367 3.000 10 0 CGAELP COc1ccc(C[N@H+](C)[C@@H](C[NH3+])c2ccc(C)cc2)cc1 ZINC000020225562 171089062 /nfs/dbraw/zinc/08/90/62/171089062.db2.gz NZSYHPGUUCQJMK-SFHVURJKSA-N 2 2 284.403 3.135 10 0 CGAELP COc1ccc(C[N@@H+](C)[C@@H](C[NH3+])c2ccc(C)cc2)cc1 ZINC000020225562 171089064 /nfs/dbraw/zinc/08/90/64/171089064.db2.gz NZSYHPGUUCQJMK-SFHVURJKSA-N 2 2 284.403 3.135 10 0 CGAELP COc1cccc([C@@H](C[NH3+])[N@H+](C)Cc2ccccc2C)c1 ZINC000020225798 171089990 /nfs/dbraw/zinc/08/99/90/171089990.db2.gz AUNZXONIOWPLFF-GOSISDBHSA-N 2 2 284.403 3.135 10 0 CGAELP COc1cccc([C@@H](C[NH3+])[N@@H+](C)Cc2ccccc2C)c1 ZINC000020225798 171089994 /nfs/dbraw/zinc/08/99/94/171089994.db2.gz AUNZXONIOWPLFF-GOSISDBHSA-N 2 2 284.403 3.135 10 0 CGAELP CC(C)C[N@H+](C)[C@H](C[NH3+])c1cccc(OC(C)C)c1 ZINC000020226649 171091109 /nfs/dbraw/zinc/09/11/09/171091109.db2.gz ATTDQMFZLZSYBA-MRXNPFEDSA-N 2 2 264.413 3.061 10 0 CGAELP CC(C)C[N@@H+](C)[C@H](C[NH3+])c1cccc(OC(C)C)c1 ZINC000020226649 171091112 /nfs/dbraw/zinc/09/11/12/171091112.db2.gz ATTDQMFZLZSYBA-MRXNPFEDSA-N 2 2 264.413 3.061 10 0 CGAELP CCCCC[C@H](C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000020520568 171234052 /nfs/dbraw/zinc/23/40/52/171234052.db2.gz JMLSUBSJFZXXGZ-CYBMUJFWSA-N 2 2 252.427 3.014 10 0 CGAELP CCCCC[C@H](C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000020520568 171234053 /nfs/dbraw/zinc/23/40/53/171234053.db2.gz JMLSUBSJFZXXGZ-CYBMUJFWSA-N 2 2 252.427 3.014 10 0 CGAELP C[C@@H]1CCC[N@@H+]([C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])C1 ZINC000021504041 171307081 /nfs/dbraw/zinc/30/70/81/171307081.db2.gz NPJNXWMMKAPHLN-CBBWQLFWSA-N 2 2 252.446 3.260 10 0 CGAELP C[C@@H]1CCC[N@H+]([C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])C1 ZINC000021504041 171307083 /nfs/dbraw/zinc/30/70/83/171307083.db2.gz NPJNXWMMKAPHLN-CBBWQLFWSA-N 2 2 252.446 3.260 10 0 CGAELP Cc1ccc(C)c([C@@H]([NH3+])C[N@@H+]2CCc3ccccc3C2)c1 ZINC000022562796 171391384 /nfs/dbraw/zinc/39/13/84/171391384.db2.gz BOZAOHZZTKRWBF-IBGZPJMESA-N 2 2 280.415 3.362 10 0 CGAELP Cc1ccc(C)c([C@@H]([NH3+])C[N@H+]2CCc3ccccc3C2)c1 ZINC000022562796 171391386 /nfs/dbraw/zinc/39/13/86/171391386.db2.gz BOZAOHZZTKRWBF-IBGZPJMESA-N 2 2 280.415 3.362 10 0 CGAELP CCC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cc2c(s1)CCC2 ZINC000035586287 172285590 /nfs/dbraw/zinc/28/55/90/172285590.db2.gz HZTHWBOUNVTEEO-GFCCVEGCSA-N 2 2 275.421 3.243 10 0 CGAELP CC(C)c1ccc([C@@H](C[NH3+])[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000037174500 173008932 /nfs/dbraw/zinc/00/89/32/173008932.db2.gz OPVZWLCVAKOQCC-HZPDHXFCSA-N 2 2 278.465 3.247 10 0 CGAELP CC(C)c1ccc([C@@H](C[NH3+])[N@@H+](C)[C@@H]2CCSC2)cc1 ZINC000037174500 173008934 /nfs/dbraw/zinc/00/89/34/173008934.db2.gz OPVZWLCVAKOQCC-HZPDHXFCSA-N 2 2 278.465 3.247 10 0 CGAELP Cc1cc(NC[C@H](C)[NH+]2CCCCC2)nc(C(C)C)[nH+]1 ZINC000038029281 174019699 /nfs/dbraw/zinc/01/96/99/174019699.db2.gz JGTXMPULHDPENH-AWEZNQCLSA-N 2 2 276.428 3.195 10 0 CGAELP C[C@@H](C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2)[NH+](C)C ZINC000038088579 174101409 /nfs/dbraw/zinc/10/14/09/174101409.db2.gz PUYJKZTYABVMQZ-UYYLIRDPSA-N 2 2 264.457 3.131 10 0 CGAELP COc1ccc([C@H](C[NH3+])[N@H+](C)C(C)C)cc1C(C)C ZINC000076369745 177006178 /nfs/dbraw/zinc/00/61/78/177006178.db2.gz OXLUERZKYYWTOE-HNNXBMFYSA-N 2 2 264.413 3.159 10 0 CGAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)C(C)C)cc1C(C)C ZINC000076369745 177006180 /nfs/dbraw/zinc/00/61/80/177006180.db2.gz OXLUERZKYYWTOE-HNNXBMFYSA-N 2 2 264.413 3.159 10 0 CGAELP Cc1cc2ccccc2[nH+]c1N1CCC[C@@H](CC[NH3+])C1 ZINC000070073958 416490636 /nfs/dbraw/zinc/49/06/36/416490636.db2.gz MZADCMURUXDELE-AWEZNQCLSA-N 2 2 269.392 3.108 10 0 CGAELP CC[C@@H]1CN(c2[nH+]c3ccccc3cc2C)CC[C@@H]1[NH3+] ZINC000123032478 416506324 /nfs/dbraw/zinc/50/63/24/416506324.db2.gz ZFWMTFORJPGHLN-HIFRSBDPSA-N 2 2 269.392 3.107 10 0 CGAELP CC[C@H]([NH2+][C@H](C[NH+](C)C)c1ccccc1)[C@H]1C[C@@H]1C ZINC000321173133 270093329 /nfs/dbraw/zinc/09/33/29/270093329.db2.gz YPPYYPVPWXOWSL-QSPRXWTASA-N 2 2 260.425 3.314 10 0 CGAELP CC(C)[NH2+]C[C@@H](C(C)C)[N@H+](C)Cc1ccsc1 ZINC000052457032 519722819 /nfs/dbraw/zinc/72/28/19/519722819.db2.gz JRWFJJVXSJTMEG-AWEZNQCLSA-N 2 2 254.443 3.203 10 0 CGAELP CC(C)[NH2+]C[C@@H](C(C)C)[N@@H+](C)Cc1ccsc1 ZINC000052457032 519722822 /nfs/dbraw/zinc/72/28/22/519722822.db2.gz JRWFJJVXSJTMEG-AWEZNQCLSA-N 2 2 254.443 3.203 10 0 CGAELP CC(C)C[NH2+]C[C@@H](C)[NH+]1CCC(C(C)(C)C)CC1 ZINC000052373566 519744559 /nfs/dbraw/zinc/74/45/59/519744559.db2.gz SQNUYTYLTSAVAY-CQSZACIVSA-N 2 2 254.462 3.379 10 0 CGAELP CC(C)C[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1F ZINC000052541503 519743990 /nfs/dbraw/zinc/74/39/90/519743990.db2.gz VJGQDKISOOHJNO-CQSZACIVSA-N 2 2 266.404 3.282 10 0 CGAELP CC(C)C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1F ZINC000052541503 519743991 /nfs/dbraw/zinc/74/39/91/519743991.db2.gz VJGQDKISOOHJNO-CQSZACIVSA-N 2 2 266.404 3.282 10 0 CGAELP CC(C)C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000052421336 519744944 /nfs/dbraw/zinc/74/49/44/519744944.db2.gz MSWNLBXRDSBPGJ-KRWDZBQOSA-N 2 2 260.425 3.459 10 0 CGAELP CCC[NH2+]C[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCSC1 ZINC000052453677 519923078 /nfs/dbraw/zinc/92/30/78/519923078.db2.gz VBQHNRNDGXRYJB-CVEARBPZSA-N 2 2 278.465 3.165 10 0 CGAELP CCC[NH2+]C[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCSC1 ZINC000052453677 519923084 /nfs/dbraw/zinc/92/30/84/519923084.db2.gz VBQHNRNDGXRYJB-CVEARBPZSA-N 2 2 278.465 3.165 10 0 CGAELP CCc1[nH+]c2ccccc2n1CCC[NH2+]CC(C)C ZINC000062807512 522501178 /nfs/dbraw/zinc/50/11/78/522501178.db2.gz VSDQHAOFRONHQY-UHFFFAOYSA-N 2 2 259.397 3.234 10 0 CGAELP C[C@@H]1CC[N@@H+]([C@@H](C[NH3+])c2csc3ccccc23)C1 ZINC000054464262 524523980 /nfs/dbraw/zinc/52/39/80/524523980.db2.gz QGPFJPPMRCJVBU-RISCZKNCSA-N 2 2 260.406 3.243 10 0 CGAELP C[C@@H]1CC[N@H+]([C@@H](C[NH3+])c2csc3ccccc23)C1 ZINC000054464262 524523989 /nfs/dbraw/zinc/52/39/89/524523989.db2.gz QGPFJPPMRCJVBU-RISCZKNCSA-N 2 2 260.406 3.243 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cccc(OC)c2)C1 ZINC000155224150 529760846 /nfs/dbraw/zinc/76/08/46/529760846.db2.gz AZOCSBHZVKUKRX-MRXNPFEDSA-N 2 2 299.418 3.291 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2)C1 ZINC000155224150 529760847 /nfs/dbraw/zinc/76/08/47/529760847.db2.gz AZOCSBHZVKUKRX-MRXNPFEDSA-N 2 2 299.418 3.291 10 0 CGAELP C[C@@H]1[N@H+](Cc2ccccc2)CC[C@@]12[NH2+]CCc1sccc12 ZINC000307546722 346463745 /nfs/dbraw/zinc/46/37/45/346463745.db2.gz BQQVENUDELYOPD-KBXCAEBGSA-N 2 2 298.455 3.384 10 0 CGAELP C[C@@H]1[N@@H+](Cc2ccccc2)CC[C@@]12[NH2+]CCc1sccc12 ZINC000307546722 346463746 /nfs/dbraw/zinc/46/37/46/346463746.db2.gz BQQVENUDELYOPD-KBXCAEBGSA-N 2 2 298.455 3.384 10 0 CGAELP c1ccc(C[N@@H+]2CC[NH2+]CC[C@H]2c2ccccc2)cc1 ZINC000090751654 180036667 /nfs/dbraw/zinc/03/66/67/180036667.db2.gz AABNTADXCUOWBH-SFHVURJKSA-N 2 2 266.388 3.223 10 0 CGAELP c1ccc(C[N@H+]2CC[NH2+]CC[C@H]2c2ccccc2)cc1 ZINC000090751654 180036669 /nfs/dbraw/zinc/03/66/69/180036669.db2.gz AABNTADXCUOWBH-SFHVURJKSA-N 2 2 266.388 3.223 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(C)cc1 ZINC000178321321 189106537 /nfs/dbraw/zinc/10/65/37/189106537.db2.gz LRSNLHGMWGWUHX-KRWDZBQOSA-N 2 2 269.392 3.165 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(C)cc1 ZINC000178321321 189106538 /nfs/dbraw/zinc/10/65/38/189106538.db2.gz LRSNLHGMWGWUHX-KRWDZBQOSA-N 2 2 269.392 3.165 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H]1CC=CCC1 ZINC000180121771 189237987 /nfs/dbraw/zinc/23/79/87/189237987.db2.gz JJFRCHNYKOMAQJ-HOTGVXAUSA-N 2 2 259.397 3.012 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H]1CC=CCC1 ZINC000180121771 189237988 /nfs/dbraw/zinc/23/79/88/189237988.db2.gz JJFRCHNYKOMAQJ-HOTGVXAUSA-N 2 2 259.397 3.012 10 0 CGAELP CCOc1cccc([C@@H](C[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000022853996 368812724 /nfs/dbraw/zinc/81/27/24/368812724.db2.gz MQWRUDBBRYHZEA-JKIFEVAISA-N 2 2 276.424 3.063 10 0 CGAELP CCOc1cccc([C@@H](C[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000022853996 368812728 /nfs/dbraw/zinc/81/27/28/368812728.db2.gz MQWRUDBBRYHZEA-JKIFEVAISA-N 2 2 276.424 3.063 10 0 CGAELP CCc1ccc([C@@H](C[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000022853805 368812831 /nfs/dbraw/zinc/81/28/31/368812831.db2.gz JQFYRCVDDLVRKR-JKIFEVAISA-N 2 2 260.425 3.227 10 0 CGAELP CCc1ccc([C@@H](C[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000022853805 368812835 /nfs/dbraw/zinc/81/28/35/368812835.db2.gz JQFYRCVDDLVRKR-JKIFEVAISA-N 2 2 260.425 3.227 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000040502680 369157630 /nfs/dbraw/zinc/15/76/30/369157630.db2.gz VNRBFDURXBAIAG-ARWYELJZSA-N 2 2 276.399 3.146 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000040502680 369157636 /nfs/dbraw/zinc/15/76/36/369157636.db2.gz VNRBFDURXBAIAG-ARWYELJZSA-N 2 2 276.399 3.146 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+]C2CC(c3ccccc3C)C2)C1 ZINC000040502697 369157946 /nfs/dbraw/zinc/15/79/46/369157946.db2.gz HBRKONRCCXAETA-CGZBRXJRSA-N 2 2 272.436 3.315 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+]C2CC(c3ccccc3C)C2)C1 ZINC000040502697 369157953 /nfs/dbraw/zinc/15/79/53/369157953.db2.gz HBRKONRCCXAETA-CGZBRXJRSA-N 2 2 272.436 3.315 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](c2ccccc2)C(C)C)C1 ZINC000040502945 369158366 /nfs/dbraw/zinc/15/83/66/369158366.db2.gz GUVIKUJXSNATIA-DLBZAZTESA-N 2 2 260.425 3.458 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](c2ccccc2)C(C)C)C1 ZINC000040502945 369158367 /nfs/dbraw/zinc/15/83/67/369158367.db2.gz GUVIKUJXSNATIA-DLBZAZTESA-N 2 2 260.425 3.458 10 0 CGAELP CCCc1cc(N2CCC([NH3+])CC2)nc(-c2ccccc2)[nH+]1 ZINC000070451795 369799871 /nfs/dbraw/zinc/79/98/71/369799871.db2.gz IQVRRWTXCPINLE-UHFFFAOYSA-N 2 2 296.418 3.024 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000178331501 373767815 /nfs/dbraw/zinc/76/78/15/373767815.db2.gz QPJXMTLSPORTCE-LJQANCHMSA-N 2 2 295.430 3.345 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000178331501 373767824 /nfs/dbraw/zinc/76/78/24/373767824.db2.gz QPJXMTLSPORTCE-LJQANCHMSA-N 2 2 295.430 3.345 10 0 CGAELP CCCOc1cccc2c(N3CC[C@@H]([NH+](C)C)C3)cc[nH+]c12 ZINC000194712563 376036349 /nfs/dbraw/zinc/03/63/49/376036349.db2.gz VVNFDGUPRAFUTO-CQSZACIVSA-N 2 2 299.418 3.164 10 0 CGAELP Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1F ZINC000247062844 377152688 /nfs/dbraw/zinc/15/26/88/377152688.db2.gz VKGAAKDGQLTDEG-GUYCJALGSA-N 2 2 287.382 3.414 10 0 CGAELP Cc1ccc2cc(C[NH2+][C@@H]3C[N@H+](C(C)C)C[C@H]3C)ccc2n1 ZINC000249092009 377461705 /nfs/dbraw/zinc/46/17/05/377461705.db2.gz DMKUWLYUFFBPKI-AUUYWEPGSA-N 2 2 297.446 3.362 10 0 CGAELP Cc1ccc2cc(C[NH2+][C@@H]3C[N@@H+](C(C)C)C[C@H]3C)ccc2n1 ZINC000249092009 377461709 /nfs/dbraw/zinc/46/17/09/377461709.db2.gz DMKUWLYUFFBPKI-AUUYWEPGSA-N 2 2 297.446 3.362 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCOc3ccc(C)cc32)C1 ZINC000133035876 285268840 /nfs/dbraw/zinc/26/88/40/285268840.db2.gz SQTUTUYAOJPLSB-DOTOQJQBSA-N 2 2 288.435 3.283 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCOc3ccc(C)cc32)C1 ZINC000133035876 285268841 /nfs/dbraw/zinc/26/88/41/285268841.db2.gz SQTUTUYAOJPLSB-DOTOQJQBSA-N 2 2 288.435 3.283 10 0 CGAELP C[C@H]([NH2+][C@H](C[NH+](C)C)c1ccccc1)C1CCCC1 ZINC000054077625 392087979 /nfs/dbraw/zinc/08/79/79/392087979.db2.gz OLDMUBPXGRSALY-WMLDXEAASA-N 2 2 260.425 3.458 10 0 CGAELP C[C@@H]([NH2+][C@@H](C)c1cccc(Br)c1)[C@@H]1CCC[NH2+]1 ZINC000400362540 287051391 /nfs/dbraw/zinc/05/13/91/287051391.db2.gz QKTIBAGCYUHIPH-WDMOLILDSA-N 2 2 297.240 3.240 10 0 CGAELP C[N@H+](Cc1c(Cl)cccc1Cl)CC(C)(C)C[NH3+] ZINC000093872993 165337889 /nfs/dbraw/zinc/33/78/89/165337889.db2.gz FVVMJVRSJQHCLA-UHFFFAOYSA-N 2 2 275.223 3.410 10 0 CGAELP C[N@@H+](Cc1c(Cl)cccc1Cl)CC(C)(C)C[NH3+] ZINC000093872993 165337892 /nfs/dbraw/zinc/33/78/92/165337892.db2.gz FVVMJVRSJQHCLA-UHFFFAOYSA-N 2 2 275.223 3.410 10 0 CGAELP Cc1ccc([C@H](C[NH3+])[N@H+](C)Cc2cccc(C)c2)cc1 ZINC000020225542 171088664 /nfs/dbraw/zinc/08/86/64/171088664.db2.gz IAXBZORGQGKGMT-SFHVURJKSA-N 2 2 268.404 3.435 10 0 CGAELP Cc1ccc([C@H](C[NH3+])[N@@H+](C)Cc2cccc(C)c2)cc1 ZINC000020225542 171088667 /nfs/dbraw/zinc/08/86/67/171088667.db2.gz IAXBZORGQGKGMT-SFHVURJKSA-N 2 2 268.404 3.435 10 0 CGAELP CCOc1ccccc1[C@@H](C[NH3+])[N@H+](C)CC(C)(C)C ZINC000020226164 171090185 /nfs/dbraw/zinc/09/01/85/171090185.db2.gz JKXRVQAKAKYQJM-CQSZACIVSA-N 2 2 264.413 3.063 10 0 CGAELP CCOc1ccccc1[C@@H](C[NH3+])[N@@H+](C)CC(C)(C)C ZINC000020226164 171090187 /nfs/dbraw/zinc/09/01/87/171090187.db2.gz JKXRVQAKAKYQJM-CQSZACIVSA-N 2 2 264.413 3.063 10 0 CGAELP C[N@H+](CC1CC1)[C@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000020226327 171091696 /nfs/dbraw/zinc/09/16/96/171091696.db2.gz SOWTWPIJJQSTHX-MRXNPFEDSA-N 2 2 260.425 3.326 10 0 CGAELP C[N@@H+](CC1CC1)[C@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000020226327 171091700 /nfs/dbraw/zinc/09/17/00/171091700.db2.gz SOWTWPIJJQSTHX-MRXNPFEDSA-N 2 2 260.425 3.326 10 0 CGAELP CC[N@@H+](Cc1ccccc1)C[C@H]([NH3+])c1ccccc1 ZINC000020486640 171225790 /nfs/dbraw/zinc/22/57/90/171225790.db2.gz QSECBMDWAHZDGI-KRWDZBQOSA-N 2 2 254.377 3.209 10 0 CGAELP CC[N@H+](Cc1ccccc1)C[C@H]([NH3+])c1ccccc1 ZINC000020486640 171225791 /nfs/dbraw/zinc/22/57/91/171225791.db2.gz QSECBMDWAHZDGI-KRWDZBQOSA-N 2 2 254.377 3.209 10 0 CGAELP C[C@@H]1CCC[N@@H+]([C@@]2(C[NH3+])C[C@@H](C)CC(C)(C)C2)C1 ZINC000021513409 171311437 /nfs/dbraw/zinc/31/14/37/171311437.db2.gz CGLNXMNYJDKPTC-YCPHGPKFSA-N 2 2 252.446 3.262 10 0 CGAELP C[C@@H]1CCC[N@H+]([C@@]2(C[NH3+])C[C@@H](C)CC(C)(C)C2)C1 ZINC000021513409 171311438 /nfs/dbraw/zinc/31/14/38/171311438.db2.gz CGLNXMNYJDKPTC-YCPHGPKFSA-N 2 2 252.446 3.262 10 0 CGAELP C[NH+](C)[C@H](C[NH3+])c1cccc(Oc2ccccc2)c1 ZINC000022210178 171373076 /nfs/dbraw/zinc/37/30/76/171373076.db2.gz LBKOFPGWSIUVKN-MRXNPFEDSA-N 2 2 256.349 3.040 10 0 CGAELP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035275421 172095716 /nfs/dbraw/zinc/09/57/16/172095716.db2.gz IYQBQOGECHHNQA-QXSJWSMHSA-N 2 2 261.413 3.220 10 0 CGAELP Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2n2cc[nH+]c2)c1 ZINC000037106492 172959459 /nfs/dbraw/zinc/95/94/59/172959459.db2.gz ZALURJQSRNLGSB-HOTGVXAUSA-N 2 2 255.365 3.075 10 0 CGAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1cc(F)ccc1F ZINC000037233523 173052501 /nfs/dbraw/zinc/05/25/01/173052501.db2.gz XUBQGYHYOXTKMM-AWEZNQCLSA-N 2 2 256.340 3.087 10 0 CGAELP CCC[NH+](CCC)[C@H](C[NH3+])c1cccc(OCC)c1 ZINC000038970647 174160745 /nfs/dbraw/zinc/16/07/45/174160745.db2.gz DGIWKIKJILCKAU-MRXNPFEDSA-N 2 2 264.413 3.207 10 0 CGAELP CC(C)Oc1ccc([C@H](C[NH3+])[NH+]2CCC(C)CC2)cc1 ZINC000038983681 174160993 /nfs/dbraw/zinc/16/09/93/174160993.db2.gz GHVISBITGUBFAG-KRWDZBQOSA-N 2 2 276.424 3.206 10 0 CGAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000039142634 174164566 /nfs/dbraw/zinc/16/45/66/174164566.db2.gz SXLPEGMZRBQQRP-AWEZNQCLSA-N 2 2 254.805 3.462 10 0 CGAELP CCC[NH+](CCC)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000039142636 174164608 /nfs/dbraw/zinc/16/46/08/174164608.db2.gz SXLPEGMZRBQQRP-CQSZACIVSA-N 2 2 254.805 3.462 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000223147261 270086109 /nfs/dbraw/zinc/08/61/09/270086109.db2.gz UFMYNQVAOJYSCY-RHSMWYFYSA-N 2 2 280.431 3.323 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000250323652 276375974 /nfs/dbraw/zinc/37/59/74/276375974.db2.gz NMUBGZXPAUSHOK-PMPSAXMXSA-N 2 2 250.430 3.029 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000250323652 276375977 /nfs/dbraw/zinc/37/59/77/276375977.db2.gz NMUBGZXPAUSHOK-PMPSAXMXSA-N 2 2 250.430 3.029 10 0 CGAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1OC(F)F ZINC000396581087 288014269 /nfs/dbraw/zinc/01/42/69/288014269.db2.gz PGUIDROWRALLTP-DMDPSCGWSA-N 2 2 284.350 3.079 10 0 CGAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1ccc(Br)cc1 ZINC000396620708 288014662 /nfs/dbraw/zinc/01/46/62/288014662.db2.gz IUAPBOZMMNQSCW-COPLHBTASA-N 2 2 297.240 3.240 10 0 CGAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1ccc(Br)cc1 ZINC000396620712 288014670 /nfs/dbraw/zinc/01/46/70/288014670.db2.gz IUAPBOZMMNQSCW-MJVIPROJSA-N 2 2 297.240 3.240 10 0 CGAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1ccc(Cl)s1 ZINC000396708576 288015660 /nfs/dbraw/zinc/01/56/60/288015660.db2.gz KXHPBTZKMDGSFX-GUBZILKMSA-N 2 2 258.818 3.193 10 0 CGAELP CC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379632352 330144644 /nfs/dbraw/zinc/14/46/44/330144644.db2.gz NPWKKNLUTOWKIG-NVXWUHKLSA-N 2 2 260.425 3.429 10 0 CGAELP CC[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379632352 330144645 /nfs/dbraw/zinc/14/46/45/330144645.db2.gz NPWKKNLUTOWKIG-NVXWUHKLSA-N 2 2 260.425 3.429 10 0 CGAELP C[C@@H]1CCC[C@H]([N@@H+]2CCC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC000062673067 524392003 /nfs/dbraw/zinc/39/20/03/524392003.db2.gz AXTZPBOTFVQPIE-QRQLOZEOSA-N 2 2 286.463 3.472 10 0 CGAELP C[C@@H]1CCC[C@H]([N@H+]2CCC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC000062673067 524392009 /nfs/dbraw/zinc/39/20/09/524392009.db2.gz AXTZPBOTFVQPIE-QRQLOZEOSA-N 2 2 286.463 3.472 10 0 CGAELP Cc1ccccc1C[N@H+]1C[C@@H](C(C)C)[NH2+]C[C@@H]1C(C)C ZINC000062668240 525147548 /nfs/dbraw/zinc/14/75/48/525147548.db2.gz GDVKICCPGKUQGW-ZWKOTPCHSA-N 2 2 274.452 3.449 10 0 CGAELP Cc1ccccc1C[N@@H+]1C[C@@H](C(C)C)[NH2+]C[C@@H]1C(C)C ZINC000062668240 525147559 /nfs/dbraw/zinc/14/75/59/525147559.db2.gz GDVKICCPGKUQGW-ZWKOTPCHSA-N 2 2 274.452 3.449 10 0 CGAELP Cc1ccc[nH+]c1N(CCC[NH3+])c1ccc(F)cc1 ZINC000051040719 525533681 /nfs/dbraw/zinc/53/36/81/525533681.db2.gz MEMWLCCMYQXWJL-UHFFFAOYSA-N 2 2 259.328 3.016 10 0 CGAELP CCC[C@@H]1C[C@H]1[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000084049768 535494974 /nfs/dbraw/zinc/49/49/74/535494974.db2.gz BMTSHZRBNBULEI-RHSMWYFYSA-N 2 2 269.392 3.459 10 0 CGAELP CC[C@H]([NH2+][C@H]1CCC[N@H+](CC)C1)c1cccc(F)c1 ZINC000166538617 529670076 /nfs/dbraw/zinc/67/00/76/529670076.db2.gz MTHLYVKGJLETPC-HOTGVXAUSA-N 2 2 264.388 3.351 10 0 CGAELP CC[C@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)c1cccc(F)c1 ZINC000166538617 529670078 /nfs/dbraw/zinc/67/00/78/529670078.db2.gz MTHLYVKGJLETPC-HOTGVXAUSA-N 2 2 264.388 3.351 10 0 CGAELP Fc1ccc(/C=C/C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000188401532 542247645 /nfs/dbraw/zinc/24/76/45/542247645.db2.gz IJKSZYMZZFRMDW-XKKXFUJGSA-N 2 2 285.366 3.200 10 0 CGAELP Fc1ccc(/C=C/C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000188401532 542247650 /nfs/dbraw/zinc/24/76/50/542247650.db2.gz IJKSZYMZZFRMDW-XKKXFUJGSA-N 2 2 285.366 3.200 10 0 CGAELP C[NH2+]CCC[NH+]1Cc2ccccc2Cc2ccccc2C1 ZINC000003621980 344858423 /nfs/dbraw/zinc/85/84/23/344858423.db2.gz WMWBTBWHQVYRDJ-UHFFFAOYSA-N 2 2 280.415 3.203 10 0 CGAELP [NH3+]CCCCCCNc1cc[nH+]c(-c2ccccn2)c1 ZINC000038852843 344956915 /nfs/dbraw/zinc/95/69/15/344956915.db2.gz ULPRAVBXAIWFAY-UHFFFAOYSA-N 2 2 270.380 3.075 10 0 CGAELP [NH3+]C[C@H]1CC[C@H](Nc2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000630556474 350852957 /nfs/dbraw/zinc/85/29/57/350852957.db2.gz HFKLXHZPWSXFMD-HOMQSWHASA-N 2 2 273.302 3.030 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000110585838 138363262 /nfs/dbraw/zinc/36/32/62/138363262.db2.gz GUACVRPRARBHRO-AWEZNQCLSA-N 2 2 299.422 3.200 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(C)cc1 ZINC000178321302 189106531 /nfs/dbraw/zinc/10/65/31/189106531.db2.gz LRSNLHGMWGWUHX-QGZVFWFLSA-N 2 2 269.392 3.165 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(C)cc1 ZINC000178321302 189106532 /nfs/dbraw/zinc/10/65/32/189106532.db2.gz LRSNLHGMWGWUHX-QGZVFWFLSA-N 2 2 269.392 3.165 10 0 CGAELP Cc1ccc([C@@H]2CCCC[N@@H+]2CCCn2cc[nH+]c2)o1 ZINC000182795146 189335419 /nfs/dbraw/zinc/33/54/19/189335419.db2.gz PMMOULMBCWWQMB-HNNXBMFYSA-N 2 2 273.380 3.402 10 0 CGAELP Cc1ccc([C@@H]2CCCC[N@H+]2CCCn2cc[nH+]c2)o1 ZINC000182795146 189335420 /nfs/dbraw/zinc/33/54/20/189335420.db2.gz PMMOULMBCWWQMB-HNNXBMFYSA-N 2 2 273.380 3.402 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000040502689 369158292 /nfs/dbraw/zinc/15/82/92/369158292.db2.gz HTNXYDURSCBEJX-WIHSUSGWSA-N 2 2 276.399 3.146 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000040502689 369158294 /nfs/dbraw/zinc/15/82/94/369158294.db2.gz HTNXYDURSCBEJX-WIHSUSGWSA-N 2 2 276.399 3.146 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000133000115 371218903 /nfs/dbraw/zinc/21/89/03/371218903.db2.gz KZIYAFASSVXCCI-MSOLQXFVSA-N 2 2 272.436 3.082 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000133000115 371218907 /nfs/dbraw/zinc/21/89/07/371218907.db2.gz KZIYAFASSVXCCI-MSOLQXFVSA-N 2 2 272.436 3.082 10 0 CGAELP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000152840290 371728944 /nfs/dbraw/zinc/72/89/44/371728944.db2.gz GPQISQIHPAWCPF-NBOOPKSLSA-N 2 2 289.467 3.316 10 0 CGAELP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000152840290 371728946 /nfs/dbraw/zinc/72/89/46/371728946.db2.gz GPQISQIHPAWCPF-NBOOPKSLSA-N 2 2 289.467 3.316 10 0 CGAELP CCOc1cccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000180120256 373965835 /nfs/dbraw/zinc/96/58/35/373965835.db2.gz YMOFHVZINPHYCI-KRWDZBQOSA-N 2 2 299.418 3.255 10 0 CGAELP CCOc1cccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000180120256 373965842 /nfs/dbraw/zinc/96/58/42/373965842.db2.gz YMOFHVZINPHYCI-KRWDZBQOSA-N 2 2 299.418 3.255 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000328513298 374366433 /nfs/dbraw/zinc/36/64/33/374366433.db2.gz OPAQPVGXKZLLFT-ZBFHGGJFSA-N 2 2 276.424 3.219 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000328513298 374366439 /nfs/dbraw/zinc/36/64/39/374366439.db2.gz OPAQPVGXKZLLFT-ZBFHGGJFSA-N 2 2 276.424 3.219 10 0 CGAELP Cc1nc([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)cs1 ZINC000189243420 375346860 /nfs/dbraw/zinc/34/68/60/375346860.db2.gz HZXVWTGFTFFZJV-INIZCTEOSA-N 2 2 293.480 3.464 10 0 CGAELP Cc1nc([C@@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)cs1 ZINC000189243420 375346863 /nfs/dbraw/zinc/34/68/63/375346863.db2.gz HZXVWTGFTFFZJV-INIZCTEOSA-N 2 2 293.480 3.464 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2)C1 ZINC000336902382 376026804 /nfs/dbraw/zinc/02/68/04/376026804.db2.gz UKXSGHSZCBSASP-FZMZJTMJSA-N 2 2 297.240 3.194 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2)C1 ZINC000336902382 376026809 /nfs/dbraw/zinc/02/68/09/376026809.db2.gz UKXSGHSZCBSASP-FZMZJTMJSA-N 2 2 297.240 3.194 10 0 CGAELP CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000245723344 376890548 /nfs/dbraw/zinc/89/05/48/376890548.db2.gz UYYZNJFEPUWDCP-QAPCUYQASA-N 2 2 299.418 3.365 10 0 CGAELP CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000245723344 376890550 /nfs/dbraw/zinc/89/05/50/376890550.db2.gz UYYZNJFEPUWDCP-QAPCUYQASA-N 2 2 299.418 3.365 10 0 CGAELP C/C(=C\c1ccccc1)C[NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000249297976 377488462 /nfs/dbraw/zinc/48/84/62/377488462.db2.gz RMHJHAVCZDBIQM-DOPXQPKJSA-N 2 2 272.436 3.408 10 0 CGAELP C/C(=C\c1ccccc1)C[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000249297976 377488473 /nfs/dbraw/zinc/48/84/73/377488473.db2.gz RMHJHAVCZDBIQM-DOPXQPKJSA-N 2 2 272.436 3.408 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000389311477 379895947 /nfs/dbraw/zinc/89/59/47/379895947.db2.gz FDFABOVJANJOBS-AAEUAGOBSA-N 2 2 284.350 3.033 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000389311477 379895954 /nfs/dbraw/zinc/89/59/54/379895954.db2.gz FDFABOVJANJOBS-AAEUAGOBSA-N 2 2 284.350 3.033 10 0 CGAELP COc1ccc([C@H](C)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000249455800 542340086 /nfs/dbraw/zinc/34/00/86/542340086.db2.gz DLLGCRPMMXLUOD-WBVHZDCISA-N 2 2 299.418 3.160 10 0 CGAELP COc1ccc([C@H](C)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000249455800 542340088 /nfs/dbraw/zinc/34/00/88/542340088.db2.gz DLLGCRPMMXLUOD-WBVHZDCISA-N 2 2 299.418 3.160 10 0 CGAELP CC[C@@H]1CN(c2[nH+]c3ccccc3cc2C)CC[C@H]1[NH3+] ZINC000251930679 542348275 /nfs/dbraw/zinc/34/82/75/542348275.db2.gz ZFWMTFORJPGHLN-UKRRQHHQSA-N 2 2 269.392 3.107 10 0 CGAELP CC[C@H]1CN(c2[nH+]c3ccccc3cc2C)CC[C@H]1[NH3+] ZINC000251930677 542348556 /nfs/dbraw/zinc/34/85/56/542348556.db2.gz ZFWMTFORJPGHLN-DZGCQCFKSA-N 2 2 269.392 3.107 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCSc3c(F)cccc32)C1 ZINC000389500868 542608350 /nfs/dbraw/zinc/60/83/50/542608350.db2.gz BZAAIPIKZYPCST-FZMZJTMJSA-N 2 2 280.412 3.046 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCSc3c(F)cccc32)C1 ZINC000389500868 542608358 /nfs/dbraw/zinc/60/83/58/542608358.db2.gz BZAAIPIKZYPCST-FZMZJTMJSA-N 2 2 280.412 3.046 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C1CCC2(CC2)CC1 ZINC000488449784 393518151 /nfs/dbraw/zinc/51/81/51/393518151.db2.gz OYJUKWRQTZNINM-OAHLLOKOSA-N 2 2 252.446 3.275 10 0 CGAELP Cc1ccccc1[C@H](C[NH3+])[N@H+](C)CCc1ccccc1 ZINC000020225470 171088948 /nfs/dbraw/zinc/08/89/48/171088948.db2.gz KIULNOHISOHDIA-SFHVURJKSA-N 2 2 268.404 3.169 10 0 CGAELP Cc1ccccc1[C@H](C[NH3+])[N@@H+](C)CCc1ccccc1 ZINC000020225470 171088950 /nfs/dbraw/zinc/08/89/50/171088950.db2.gz KIULNOHISOHDIA-SFHVURJKSA-N 2 2 268.404 3.169 10 0 CGAELP CCC[NH+](CCC)[C@H](C[NH3+])c1ccc(Br)o1 ZINC000022174982 171370120 /nfs/dbraw/zinc/37/01/20/171370120.db2.gz QIEJOZBKBFXDHG-SNVBAGLBSA-N 2 2 289.217 3.164 10 0 CGAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000022176955 171370932 /nfs/dbraw/zinc/37/09/32/171370932.db2.gz QYSXPCIYTLKKBT-AWEZNQCLSA-N 2 2 256.340 3.087 10 0 CGAELP [NH3+]C[C@@H](c1ccc(-c2ccccc2)cc1)[NH+]1CCCC1 ZINC000022178402 171371397 /nfs/dbraw/zinc/37/13/97/171371397.db2.gz HEBOYMFCKIRWAL-SFHVURJKSA-N 2 2 266.388 3.449 10 0 CGAELP C[N@H+]([C@@H](C[NH3+])c1ccc(F)cc1F)C1CCCCC1 ZINC000022215772 171375229 /nfs/dbraw/zinc/37/52/29/171375229.db2.gz SJNZXWPXOAOSKJ-HNNXBMFYSA-N 2 2 268.351 3.229 10 0 CGAELP C[N@@H+]([C@@H](C[NH3+])c1ccc(F)cc1F)C1CCCCC1 ZINC000022215772 171375231 /nfs/dbraw/zinc/37/52/31/171375231.db2.gz SJNZXWPXOAOSKJ-HNNXBMFYSA-N 2 2 268.351 3.229 10 0 CGAELP CCc1ccc([C@H]([NH3+])C[N@H+](C)Cc2ccccc2)cc1 ZINC000035206607 172050660 /nfs/dbraw/zinc/05/06/60/172050660.db2.gz SDOQHHYXHBXVQX-GOSISDBHSA-N 2 2 268.404 3.381 10 0 CGAELP CCc1ccc([C@H]([NH3+])C[N@@H+](C)Cc2ccccc2)cc1 ZINC000035206607 172050662 /nfs/dbraw/zinc/05/06/62/172050662.db2.gz SDOQHHYXHBXVQX-GOSISDBHSA-N 2 2 268.404 3.381 10 0 CGAELP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CSCc2ccccc21 ZINC000037213950 173034167 /nfs/dbraw/zinc/03/41/67/173034167.db2.gz GIAHGEFPOLXGPN-GOEBONIOSA-N 2 2 276.449 3.048 10 0 CGAELP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CSCc2ccccc21 ZINC000037213950 173034170 /nfs/dbraw/zinc/03/41/70/173034170.db2.gz GIAHGEFPOLXGPN-GOEBONIOSA-N 2 2 276.449 3.048 10 0 CGAELP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CSCc2ccccc21 ZINC000037213949 173034278 /nfs/dbraw/zinc/03/42/78/173034278.db2.gz GIAHGEFPOLXGPN-GDBMZVCRSA-N 2 2 276.449 3.048 10 0 CGAELP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CSCc2ccccc21 ZINC000037213949 173034281 /nfs/dbraw/zinc/03/42/81/173034281.db2.gz GIAHGEFPOLXGPN-GDBMZVCRSA-N 2 2 276.449 3.048 10 0 CGAELP Cc1cc[nH+]c(NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC000043561589 175066453 /nfs/dbraw/zinc/06/64/53/175066453.db2.gz UZIBPNKGUZAJFO-GDBMZVCRSA-N 2 2 261.413 3.312 10 0 CGAELP C[NH2+][C@H]1CC[N@H+](Cc2c(C)cc(C(C)(C)C)cc2C)C1 ZINC000128087456 287303460 /nfs/dbraw/zinc/30/34/60/287303460.db2.gz JHSQDNAHSAVKJT-INIZCTEOSA-N 2 2 274.452 3.395 10 0 CGAELP C[NH2+][C@H]1CC[N@@H+](Cc2c(C)cc(C(C)(C)C)cc2C)C1 ZINC000128087456 287303464 /nfs/dbraw/zinc/30/34/64/287303464.db2.gz JHSQDNAHSAVKJT-INIZCTEOSA-N 2 2 274.452 3.395 10 0 CGAELP CCC[N@H+]([C@@H](CC)c1cccs1)[C@H]1CC[NH2+]C1 ZINC000071314976 176121435 /nfs/dbraw/zinc/12/14/35/176121435.db2.gz QKTLAXKUJHVIOI-STQMWFEESA-N 2 2 252.427 3.273 10 0 CGAELP CCC[N@@H+]([C@@H](CC)c1cccs1)[C@H]1CC[NH2+]C1 ZINC000071314976 176121437 /nfs/dbraw/zinc/12/14/37/176121437.db2.gz QKTLAXKUJHVIOI-STQMWFEESA-N 2 2 252.427 3.273 10 0 CGAELP C[NH+](C)C[C@@H]([NH2+][C@@H]1CCCSCC1)c1ccccc1 ZINC000657826798 419374166 /nfs/dbraw/zinc/37/41/66/419374166.db2.gz KWRCCJFFEZPVBZ-HZPDHXFCSA-N 2 2 278.465 3.165 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000085129501 279322896 /nfs/dbraw/zinc/32/28/96/279322896.db2.gz SZPYQKPXZRBTAR-XQQFMLRXSA-N 2 2 278.362 3.181 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000085129501 279322899 /nfs/dbraw/zinc/32/28/99/279322899.db2.gz SZPYQKPXZRBTAR-XQQFMLRXSA-N 2 2 278.362 3.181 10 0 CGAELP CC(C)C[C@H]1C[N@@H+](Cc2ccccc2F)CCC[NH2+]1 ZINC000062662082 519415960 /nfs/dbraw/zinc/41/59/60/519415960.db2.gz LPNFNUYFBWCWTR-HNNXBMFYSA-N 2 2 264.388 3.036 10 0 CGAELP CC[NH2+][C@@H]1CC[N@@H+]([C@@H](c2cccs2)C(C)C)C1 ZINC000049557872 520120651 /nfs/dbraw/zinc/12/06/51/520120651.db2.gz SWUIGHSHBQSHNN-TZMCWYRMSA-N 2 2 252.427 3.129 10 0 CGAELP CC[NH2+][C@@H]1CC[N@H+]([C@@H](c2cccs2)C(C)C)C1 ZINC000049557872 520120656 /nfs/dbraw/zinc/12/06/56/520120656.db2.gz SWUIGHSHBQSHNN-TZMCWYRMSA-N 2 2 252.427 3.129 10 0 CGAELP CC(C)C[C@H]1C[N@H+](Cc2ccccc2F)CCC[NH2+]1 ZINC000062662082 519415955 /nfs/dbraw/zinc/41/59/55/519415955.db2.gz LPNFNUYFBWCWTR-HNNXBMFYSA-N 2 2 264.388 3.036 10 0 CGAELP C[C@H]1CC[N@@H+]([C@@H](C[NH2+]C(C)(C)C)c2ccccc2)C1 ZINC000052484727 524304700 /nfs/dbraw/zinc/30/47/00/524304700.db2.gz NTCCOJGWWVMLDU-HOCLYGCPSA-N 2 2 260.425 3.458 10 0 CGAELP C[C@H]1CC[N@H+]([C@@H](C[NH2+]C(C)(C)C)c2ccccc2)C1 ZINC000052484727 524304711 /nfs/dbraw/zinc/30/47/11/524304711.db2.gz NTCCOJGWWVMLDU-HOCLYGCPSA-N 2 2 260.425 3.458 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+]Cc2ccc3nc(C)ccc3c2)C1 ZINC000097861511 535581882 /nfs/dbraw/zinc/58/18/82/535581882.db2.gz TVYAPTORGXMYLR-KRWDZBQOSA-N 2 2 283.419 3.117 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+]Cc2ccc3nc(C)ccc3c2)C1 ZINC000097861511 535581890 /nfs/dbraw/zinc/58/18/90/535581890.db2.gz TVYAPTORGXMYLR-KRWDZBQOSA-N 2 2 283.419 3.117 10 0 CGAELP c1ccc(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)[nH+]c1 ZINC000238856166 572548639 /nfs/dbraw/zinc/54/86/39/572548639.db2.gz VEUYRMUGQQUUOF-HDJSIYSDSA-N 2 2 268.364 3.312 10 0 CGAELP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CSC(C)(C)C)C1 ZINC000246508089 640679117 /nfs/dbraw/zinc/67/91/17/640679117.db2.gz TXFHJEGQGJDFFF-BFHYXJOUSA-N 2 2 272.502 3.225 10 0 CGAELP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CSC(C)(C)C)C1 ZINC000246508089 640679129 /nfs/dbraw/zinc/67/91/29/640679129.db2.gz TXFHJEGQGJDFFF-BFHYXJOUSA-N 2 2 272.502 3.225 10 0 CGAELP Cc1[nH+]c(C)n2c1[C@H](CCc1ccc(C)cc1)[NH2+]CC2 ZINC000114152482 345963851 /nfs/dbraw/zinc/96/38/51/345963851.db2.gz YGBDVXBVEJMQFV-INIZCTEOSA-N 2 2 269.392 3.085 10 0 CGAELP c1cc2c(cccc2C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)[nH]1 ZINC000188406964 542248316 /nfs/dbraw/zinc/24/83/16/542248316.db2.gz IJKLBINBCIHEOL-OAHLLOKOSA-N 2 2 280.375 3.029 10 0 CGAELP c1cc2c(cccc2C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)[nH]1 ZINC000188406964 542248321 /nfs/dbraw/zinc/24/83/21/542248321.db2.gz IJKLBINBCIHEOL-OAHLLOKOSA-N 2 2 280.375 3.029 10 0 CGAELP [NH3+]CC[N@@H+]1CCCCC[C@@H]1c1ccc2cccnc2c1 ZINC000616624526 348849649 /nfs/dbraw/zinc/84/96/49/348849649.db2.gz QFGXFKFUWDKDMV-QGZVFWFLSA-N 2 2 269.392 3.111 10 0 CGAELP [NH3+]CC[N@H+]1CCCCC[C@@H]1c1ccc2cccnc2c1 ZINC000616624526 348849654 /nfs/dbraw/zinc/84/96/54/348849654.db2.gz QFGXFKFUWDKDMV-QGZVFWFLSA-N 2 2 269.392 3.111 10 0 CGAELP [NH3+]CC[N@@H+]1CCCCC[C@H]1c1cnc2ccccc2c1 ZINC000616624570 348849925 /nfs/dbraw/zinc/84/99/25/348849925.db2.gz AZABIJZBNDGEDR-KRWDZBQOSA-N 2 2 269.392 3.111 10 0 CGAELP [NH3+]CC[N@H+]1CCCCC[C@H]1c1cnc2ccccc2c1 ZINC000616624570 348849927 /nfs/dbraw/zinc/84/99/27/348849927.db2.gz AZABIJZBNDGEDR-KRWDZBQOSA-N 2 2 269.392 3.111 10 0 CGAELP c1ccc(C[N@@H+]2CC[NH2+]CC[C@@H]2c2ccccc2)cc1 ZINC000090751653 180036388 /nfs/dbraw/zinc/03/63/88/180036388.db2.gz AABNTADXCUOWBH-GOSISDBHSA-N 2 2 266.388 3.223 10 0 CGAELP c1ccc(C[N@H+]2CC[NH2+]CC[C@@H]2c2ccccc2)cc1 ZINC000090751653 180036394 /nfs/dbraw/zinc/03/63/94/180036394.db2.gz AABNTADXCUOWBH-GOSISDBHSA-N 2 2 266.388 3.223 10 0 CGAELP [NH3+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000091691245 180227248 /nfs/dbraw/zinc/22/72/48/180227248.db2.gz ORFXGILBKAILLP-DLBZAZTESA-N 2 2 286.806 3.267 10 0 CGAELP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000091691245 180227249 /nfs/dbraw/zinc/22/72/49/180227249.db2.gz ORFXGILBKAILLP-DLBZAZTESA-N 2 2 286.806 3.267 10 0 CGAELP Cc1ccc([C@@H]2CCCC[N@H+]2Cc2c[nH+]cn2C)o1 ZINC000177128068 189030784 /nfs/dbraw/zinc/03/07/84/189030784.db2.gz KMJSLWWKTBPYKG-AWEZNQCLSA-N 2 2 259.353 3.049 10 0 CGAELP Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2c[nH+]cn2C)o1 ZINC000177128068 189030785 /nfs/dbraw/zinc/03/07/85/189030785.db2.gz KMJSLWWKTBPYKG-AWEZNQCLSA-N 2 2 259.353 3.049 10 0 CGAELP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000191114692 542257857 /nfs/dbraw/zinc/25/78/57/542257857.db2.gz IPKLERFKJRUDAA-GVDBMIGSSA-N 2 2 273.424 3.340 10 0 CGAELP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000191114692 542257860 /nfs/dbraw/zinc/25/78/60/542257860.db2.gz IPKLERFKJRUDAA-GVDBMIGSSA-N 2 2 273.424 3.340 10 0 CGAELP CCOc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178329062 189107273 /nfs/dbraw/zinc/10/72/73/189107273.db2.gz LZKZXQAOOLJMOW-QGZVFWFLSA-N 2 2 299.418 3.255 10 0 CGAELP CCOc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178329062 189107274 /nfs/dbraw/zinc/10/72/74/189107274.db2.gz LZKZXQAOOLJMOW-QGZVFWFLSA-N 2 2 299.418 3.255 10 0 CGAELP CCc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)o1 ZINC000092812643 370102887 /nfs/dbraw/zinc/10/28/87/370102887.db2.gz IAYUQPBHNJLBFO-AWEZNQCLSA-N 2 2 285.391 3.171 10 0 CGAELP CCc1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)o1 ZINC000092812643 370102892 /nfs/dbraw/zinc/10/28/92/370102892.db2.gz IAYUQPBHNJLBFO-AWEZNQCLSA-N 2 2 285.391 3.171 10 0 CGAELP C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000038095977 541866508 /nfs/dbraw/zinc/86/65/08/541866508.db2.gz ZEBQAUQWYUTBLR-PBHICJAKSA-N 2 2 285.391 3.092 10 0 CGAELP CCC[C@@H](C)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000179987003 373950951 /nfs/dbraw/zinc/95/09/51/373950951.db2.gz QNUAYAXNEWNISL-HUUCEWRRSA-N 2 2 261.413 3.252 10 0 CGAELP CCC[C@@H](C)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000179987003 373950959 /nfs/dbraw/zinc/95/09/59/373950959.db2.gz QNUAYAXNEWNISL-HUUCEWRRSA-N 2 2 261.413 3.252 10 0 CGAELP C[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000245712516 376886973 /nfs/dbraw/zinc/88/69/73/376886973.db2.gz SXXHBTXAQZNOOR-TZMCWYRMSA-N 2 2 290.798 3.015 10 0 CGAELP C[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000245712516 376886982 /nfs/dbraw/zinc/88/69/82/376886982.db2.gz SXXHBTXAQZNOOR-TZMCWYRMSA-N 2 2 290.798 3.015 10 0 CGAELP CCOc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000248041336 377259821 /nfs/dbraw/zinc/25/98/21/377259821.db2.gz SZFCRVRQXCBGLL-VKJFTORMSA-N 2 2 290.451 3.465 10 0 CGAELP CCOc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000248041336 377259834 /nfs/dbraw/zinc/25/98/34/377259834.db2.gz SZFCRVRQXCBGLL-VKJFTORMSA-N 2 2 290.451 3.465 10 0 CGAELP CC[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000249405015 377498617 /nfs/dbraw/zinc/49/86/17/377498617.db2.gz WZYKBMNWTTZRLT-JSGCOSHPSA-N 2 2 281.469 3.004 10 0 CGAELP CC[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000249405015 377498627 /nfs/dbraw/zinc/49/86/27/377498627.db2.gz WZYKBMNWTTZRLT-JSGCOSHPSA-N 2 2 281.469 3.004 10 0 CGAELP CC[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000249405015 377498632 /nfs/dbraw/zinc/49/86/32/377498632.db2.gz WZYKBMNWTTZRLT-JSGCOSHPSA-N 2 2 281.469 3.004 10 0 CGAELP CC[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000249405015 377498640 /nfs/dbraw/zinc/49/86/40/377498640.db2.gz WZYKBMNWTTZRLT-JSGCOSHPSA-N 2 2 281.469 3.004 10 0 CGAELP CCC(CC)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812923 249035089 /nfs/dbraw/zinc/03/50/89/249035089.db2.gz AKUYMKDYBZXLCG-OAHLLOKOSA-N 2 2 261.413 3.252 10 0 CGAELP CCC(CC)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812923 249035091 /nfs/dbraw/zinc/03/50/91/249035091.db2.gz AKUYMKDYBZXLCG-OAHLLOKOSA-N 2 2 261.413 3.252 10 0 CGAELP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180671431 542213062 /nfs/dbraw/zinc/21/30/62/542213062.db2.gz JJXIYASQWIPBTR-STQMWFEESA-N 2 2 295.390 3.316 10 0 CGAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)C1CCC1 ZINC000182175758 542222509 /nfs/dbraw/zinc/22/25/09/542222509.db2.gz GBOAOKVDGSIANI-GJZGRUSLSA-N 2 2 260.425 3.285 10 0 CGAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)C1CCC1 ZINC000182175758 542222513 /nfs/dbraw/zinc/22/25/13/542222513.db2.gz GBOAOKVDGSIANI-GJZGRUSLSA-N 2 2 260.425 3.285 10 0 CGAELP C[C@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000394467751 379919167 /nfs/dbraw/zinc/91/91/67/379919167.db2.gz VGDVMEMZZXENHJ-HNAYVOBHSA-N 2 2 296.414 3.187 10 0 CGAELP C[C@H]1[C@H]([NH3+])CC[N@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000394467751 379919175 /nfs/dbraw/zinc/91/91/75/379919175.db2.gz VGDVMEMZZXENHJ-HNAYVOBHSA-N 2 2 296.414 3.187 10 0 CGAELP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189915753 130038502 /nfs/dbraw/zinc/03/85/02/130038502.db2.gz AFJHEPOEUBLEAM-DOTOQJQBSA-N 3 2 298.434 3.007 10 0 CGAELP CC(C)=CC[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000191980126 130344081 /nfs/dbraw/zinc/34/40/81/130344081.db2.gz KLOZYKSRSOUSHZ-OAHLLOKOSA-N 2 2 293.480 3.171 10 0 CGAELP CC(C)=CC[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000191980126 130344082 /nfs/dbraw/zinc/34/40/82/130344082.db2.gz KLOZYKSRSOUSHZ-OAHLLOKOSA-N 2 2 293.480 3.171 10 0 CGAELP CC(C)=CC[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000191980126 130344084 /nfs/dbraw/zinc/34/40/84/130344084.db2.gz KLOZYKSRSOUSHZ-OAHLLOKOSA-N 2 2 293.480 3.171 10 0 CGAELP CC(C)=CC[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000191980126 130344085 /nfs/dbraw/zinc/34/40/85/130344085.db2.gz KLOZYKSRSOUSHZ-OAHLLOKOSA-N 2 2 293.480 3.171 10 0 CGAELP [NH3+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000255189254 131144780 /nfs/dbraw/zinc/14/47/80/131144780.db2.gz ORFXGILBKAILLP-IRXDYDNUSA-N 2 2 286.806 3.267 10 0 CGAELP [NH3+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000255189254 131144781 /nfs/dbraw/zinc/14/47/81/131144781.db2.gz ORFXGILBKAILLP-IRXDYDNUSA-N 2 2 286.806 3.267 10 0 CGAELP CC(C)c1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000674877480 543302196 /nfs/dbraw/zinc/30/21/96/543302196.db2.gz UNCPGUSPZHVKMN-GRDNDAEWSA-N 2 2 260.425 3.411 10 0 CGAELP CC(C)c1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000674877480 543302198 /nfs/dbraw/zinc/30/21/98/543302198.db2.gz UNCPGUSPZHVKMN-GRDNDAEWSA-N 2 2 260.425 3.411 10 0 CGAELP CC(C)[C@@H]1C[C@@H]([NH2+][C@H](C[NH+](C)C)c2ccccc2)CCO1 ZINC000251339018 165798134 /nfs/dbraw/zinc/79/81/34/165798134.db2.gz PWOJTHOZSKCRJT-KSZLIROESA-N 2 2 290.451 3.083 10 0 CGAELP C[N@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000020226326 171091983 /nfs/dbraw/zinc/09/19/83/171091983.db2.gz SOWTWPIJJQSTHX-INIZCTEOSA-N 2 2 260.425 3.326 10 0 CGAELP C[N@@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000020226326 171091985 /nfs/dbraw/zinc/09/19/85/171091985.db2.gz SOWTWPIJJQSTHX-INIZCTEOSA-N 2 2 260.425 3.326 10 0 CGAELP c1coc([C@@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc2)c1 ZINC000020506173 171228536 /nfs/dbraw/zinc/22/85/36/171228536.db2.gz JQFMNRRSIKPSGZ-KRWDZBQOSA-N 2 2 281.359 3.245 10 0 CGAELP CCCCCC[C@@H](C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000020520569 171234109 /nfs/dbraw/zinc/23/41/09/171234109.db2.gz BHUMPCRMXSUTDN-AWEZNQCLSA-N 2 2 266.454 3.404 10 0 CGAELP CCCCCC[C@@H](C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000020520569 171234110 /nfs/dbraw/zinc/23/41/10/171234110.db2.gz BHUMPCRMXSUTDN-AWEZNQCLSA-N 2 2 266.454 3.404 10 0 CGAELP CC1CC[NH+]([C@@]2(C[NH3+])C[C@@H](C)CC(C)(C)C2)CC1 ZINC000021513793 171311395 /nfs/dbraw/zinc/31/13/95/171311395.db2.gz BQOZWJBHZMJZLL-HOCLYGCPSA-N 2 2 252.446 3.262 10 0 CGAELP C[C@@H]1C[C@H]1c1ccc([C@@H](C[NH3+])[N@@H+]2CCCC[C@@H]2C)o1 ZINC000022223309 171379291 /nfs/dbraw/zinc/37/92/91/171379291.db2.gz HQHQPJSFLDSFMT-XJFOESAGSA-N 2 2 262.397 3.277 10 0 CGAELP C[C@@H]1C[C@H]1c1ccc([C@@H](C[NH3+])[N@H+]2CCCC[C@@H]2C)o1 ZINC000022223309 171379292 /nfs/dbraw/zinc/37/92/92/171379292.db2.gz HQHQPJSFLDSFMT-XJFOESAGSA-N 2 2 262.397 3.277 10 0 CGAELP CC[NH+](CC)[C@@H](C[NH2+]C[C@@H]1CCCCO1)c1ccccc1 ZINC000035151274 172014041 /nfs/dbraw/zinc/01/40/41/172014041.db2.gz SGUJDJXNKQATIV-ROUUACIJSA-N 2 2 290.451 3.228 10 0 CGAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000039142640 174164047 /nfs/dbraw/zinc/16/40/47/174164047.db2.gz LBWKXYSVGLBMGA-AWEZNQCLSA-N 2 2 254.805 3.462 10 0 CGAELP Cc1cccc(NC[C@]2([NH+](C)C)CCC[C@H](C)C2)[nH+]1 ZINC000040670059 174368260 /nfs/dbraw/zinc/36/82/60/174368260.db2.gz NRSOGEGZAYUQRR-BBRMVZONSA-N 2 2 261.413 3.312 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C[C@H](C)c1ccccc1 ZINC000037166557 270028725 /nfs/dbraw/zinc/02/87/25/270028725.db2.gz AHSUILRVCUWZPS-DOTOQJQBSA-N 2 2 262.441 3.356 10 0 CGAELP CC(C)C[C@H](C)[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671377 270029979 /nfs/dbraw/zinc/02/99/79/270029979.db2.gz SJWPEZKNASDDIZ-FUHWJXTLSA-N 2 2 274.452 3.328 10 0 CGAELP CC(C)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671377 270029980 /nfs/dbraw/zinc/02/99/80/270029980.db2.gz SJWPEZKNASDDIZ-FUHWJXTLSA-N 2 2 274.452 3.328 10 0 CGAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1cc2ccccc2o1 ZINC000396685739 288015390 /nfs/dbraw/zinc/01/53/90/288015390.db2.gz YAKBWYQYHXSRRD-MBNYWOFBSA-N 2 2 258.365 3.224 10 0 CGAELP CC[NH2+]C1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000049526048 519908666 /nfs/dbraw/zinc/90/86/66/519908666.db2.gz OFIRVSDQPPJAEY-LBPRGKRZSA-N 2 2 266.816 3.475 10 0 CGAELP CC(C)C[C@@H]1C[N@@H+]([C@H]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000062624672 519271587 /nfs/dbraw/zinc/27/15/87/519271587.db2.gz XYPJHJJRIQFTSJ-XHSDSOJGSA-N 2 2 252.446 3.275 10 0 CGAELP CC(C)C[C@@H]1C[N@H+]([C@H]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000062624672 519271595 /nfs/dbraw/zinc/27/15/95/519271595.db2.gz XYPJHJJRIQFTSJ-XHSDSOJGSA-N 2 2 252.446 3.275 10 0 CGAELP CCc1[nH+]c2ccccc2n1CC[NH2+]C(CC)CC ZINC000062808148 522502548 /nfs/dbraw/zinc/50/25/48/522502548.db2.gz ISDWXIYAGKVYDJ-UHFFFAOYSA-N 2 2 259.397 3.377 10 0 CGAELP CC[C@@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccc(F)c(C)c2)C1 ZINC000050546099 523254486 /nfs/dbraw/zinc/25/44/86/523254486.db2.gz MIXFZANRVPEUBB-CJNGLKHVSA-N 2 2 264.388 3.256 10 0 CGAELP CC[C@@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccc(F)c(C)c2)C1 ZINC000050546099 523254491 /nfs/dbraw/zinc/25/44/91/523254491.db2.gz MIXFZANRVPEUBB-CJNGLKHVSA-N 2 2 264.388 3.256 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+]C/C(C)=C\c2ccccc2)C1 ZINC000205015957 572423489 /nfs/dbraw/zinc/42/34/89/572423489.db2.gz IRQFJBBCIINUKY-KSVUCXBSSA-N 2 2 258.409 3.164 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+]C/C(C)=C\c2ccccc2)C1 ZINC000205015957 572423491 /nfs/dbraw/zinc/42/34/91/572423491.db2.gz IRQFJBBCIINUKY-KSVUCXBSSA-N 2 2 258.409 3.164 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3c(OC)cccc32)C1 ZINC000249528369 346382412 /nfs/dbraw/zinc/38/24/12/346382412.db2.gz JFFXEGLEKMVXOU-PBHICJAKSA-N 2 2 288.435 3.147 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3c(OC)cccc32)C1 ZINC000249528369 346382414 /nfs/dbraw/zinc/38/24/14/346382414.db2.gz JFFXEGLEKMVXOU-PBHICJAKSA-N 2 2 288.435 3.147 10 0 CGAELP Cc1cc[nH+]cc1N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000307398126 346462106 /nfs/dbraw/zinc/46/21/06/346462106.db2.gz XUHIIMICZOLEBA-DOTOQJQBSA-N 2 2 281.403 3.465 10 0 CGAELP Cc1cc[nH+]cc1N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000307398126 346462110 /nfs/dbraw/zinc/46/21/10/346462110.db2.gz XUHIIMICZOLEBA-DOTOQJQBSA-N 2 2 281.403 3.465 10 0 CGAELP Fc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000188419964 542249461 /nfs/dbraw/zinc/24/94/61/542249461.db2.gz KWALOMNKAQGXRO-AWEZNQCLSA-N 2 2 293.773 3.340 10 0 CGAELP Fc1ccc(Cl)cc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000188419964 542249462 /nfs/dbraw/zinc/24/94/62/542249462.db2.gz KWALOMNKAQGXRO-AWEZNQCLSA-N 2 2 293.773 3.340 10 0 CGAELP [NH3+]CC[N@@H+]1CCCCC[C@@H]1c1cncc2ccccc21 ZINC000616623907 348849982 /nfs/dbraw/zinc/84/99/82/348849982.db2.gz LYPOBQQPPNRZTD-QGZVFWFLSA-N 2 2 269.392 3.111 10 0 CGAELP [NH3+]CC[N@H+]1CCCCC[C@@H]1c1cncc2ccccc21 ZINC000616623907 348849985 /nfs/dbraw/zinc/84/99/85/348849985.db2.gz LYPOBQQPPNRZTD-QGZVFWFLSA-N 2 2 269.392 3.111 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1C ZINC000180127969 189238644 /nfs/dbraw/zinc/23/86/44/189238644.db2.gz WIFWYECQUXULCE-KRWDZBQOSA-N 2 2 287.382 3.304 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C ZINC000180127969 189238645 /nfs/dbraw/zinc/23/86/45/189238645.db2.gz WIFWYECQUXULCE-KRWDZBQOSA-N 2 2 287.382 3.304 10 0 CGAELP Cc1cccc(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000301945827 201272013 /nfs/dbraw/zinc/27/20/13/201272013.db2.gz XHJWVWDTCCOVDK-NVXWUHKLSA-N 2 2 281.403 3.465 10 0 CGAELP Cc1cccc(N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000301945827 201272016 /nfs/dbraw/zinc/27/20/16/201272016.db2.gz XHJWVWDTCCOVDK-NVXWUHKLSA-N 2 2 281.403 3.465 10 0 CGAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]Cc1cccc2cccnc21 ZINC000037166568 369074591 /nfs/dbraw/zinc/07/45/91/369074591.db2.gz RCWALNLIKCGYAZ-KRWDZBQOSA-N 2 2 285.435 3.301 10 0 CGAELP Cc1ccc(-c2nc(N3CC[C@@H]([NH3+])C3)cc(C(C)C)[nH+]2)cc1 ZINC000070455790 369801388 /nfs/dbraw/zinc/80/13/88/369801388.db2.gz ICAAYLPXVSUGRV-OAHLLOKOSA-N 2 2 296.418 3.113 10 0 CGAELP Cc1ccsc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812765 370103102 /nfs/dbraw/zinc/10/31/02/370103102.db2.gz SUGCEZQNXKLSGU-CQSZACIVSA-N 2 2 287.432 3.386 10 0 CGAELP Cc1ccsc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812765 370103106 /nfs/dbraw/zinc/10/31/06/370103106.db2.gz SUGCEZQNXKLSGU-CQSZACIVSA-N 2 2 287.432 3.386 10 0 CGAELP COCc1ccc([C@H]2CCC[N@@H+]2CCC[NH+]2CCCC2)o1 ZINC000130895049 371067228 /nfs/dbraw/zinc/06/72/28/371067228.db2.gz HOFVZZRVMRSXRI-MRXNPFEDSA-N 2 2 292.423 3.049 10 0 CGAELP COCc1ccc([C@H]2CCC[N@H+]2CCC[NH+]2CCCC2)o1 ZINC000130895049 371067231 /nfs/dbraw/zinc/06/72/31/371067231.db2.gz HOFVZZRVMRSXRI-MRXNPFEDSA-N 2 2 292.423 3.049 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000134959844 371379373 /nfs/dbraw/zinc/37/93/73/371379373.db2.gz KITWIQDJSIGMJE-ZDUSSCGKSA-N 2 2 295.390 3.163 10 0 CGAELP c1csc([C@@H]2CCC[N@H+](Cc3cccc4[nH+]ccn43)C2)n1 ZINC000179963546 373948467 /nfs/dbraw/zinc/94/84/67/373948467.db2.gz AQLBNTBGECGQKL-CYBMUJFWSA-N 2 2 298.415 3.170 10 0 CGAELP c1csc([C@H]2CCC[N@H+](Cc3cccc4[nH+]ccn43)C2)n1 ZINC000179963529 373949102 /nfs/dbraw/zinc/94/91/02/373949102.db2.gz AQLBNTBGECGQKL-ZDUSSCGKSA-N 2 2 298.415 3.170 10 0 CGAELP CCC[C@H](C)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000179987019 373949995 /nfs/dbraw/zinc/94/99/95/373949995.db2.gz QNUAYAXNEWNISL-LSDHHAIUSA-N 2 2 261.413 3.252 10 0 CGAELP CCC[C@H](C)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000179987019 373950004 /nfs/dbraw/zinc/95/00/04/373950004.db2.gz QNUAYAXNEWNISL-LSDHHAIUSA-N 2 2 261.413 3.252 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000328513296 374365939 /nfs/dbraw/zinc/36/59/39/374365939.db2.gz OPAQPVGXKZLLFT-GOEBONIOSA-N 2 2 276.424 3.219 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000328513296 374365946 /nfs/dbraw/zinc/36/59/46/374365946.db2.gz OPAQPVGXKZLLFT-GOEBONIOSA-N 2 2 276.424 3.219 10 0 CGAELP Cc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000246364092 377015756 /nfs/dbraw/zinc/01/57/56/377015756.db2.gz XSPWAZLWPZHSLR-WBVHZDCISA-N 2 2 269.392 3.275 10 0 CGAELP Cc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000246364092 377015762 /nfs/dbraw/zinc/01/57/62/377015762.db2.gz XSPWAZLWPZHSLR-WBVHZDCISA-N 2 2 269.392 3.275 10 0 CGAELP CC(C)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000250757181 377565882 /nfs/dbraw/zinc/56/58/82/377565882.db2.gz PJQYDTHPOAWOEL-ZFWWWQNUSA-N 2 2 266.816 3.331 10 0 CGAELP CC(C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000250757181 377565890 /nfs/dbraw/zinc/56/58/90/377565890.db2.gz PJQYDTHPOAWOEL-ZFWWWQNUSA-N 2 2 266.816 3.331 10 0 CGAELP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000185222853 542238709 /nfs/dbraw/zinc/23/87/09/542238709.db2.gz ABHJUFYAGAHCBI-OWCLPIDISA-N 2 2 261.413 3.174 10 0 CGAELP C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000185222853 542238711 /nfs/dbraw/zinc/23/87/11/542238711.db2.gz ABHJUFYAGAHCBI-OWCLPIDISA-N 2 2 261.413 3.174 10 0 CGAELP c1csc(C2=CC[N@H+](CCC[NH+]3CCCC3)CC2)c1 ZINC000163063010 392601051 /nfs/dbraw/zinc/60/10/51/392601051.db2.gz OGBQBTBWWXYVAV-UHFFFAOYSA-N 2 2 276.449 3.323 10 0 CGAELP c1csc(C2=CC[N@@H+](CCC[NH+]3CCCC3)CC2)c1 ZINC000163063010 392601056 /nfs/dbraw/zinc/60/10/56/392601056.db2.gz OGBQBTBWWXYVAV-UHFFFAOYSA-N 2 2 276.449 3.323 10 0 CGAELP CCSCC[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000355744200 393338034 /nfs/dbraw/zinc/33/80/34/393338034.db2.gz YIJJPDSGWSGJKU-KRWDZBQOSA-N 2 2 292.492 3.384 10 0 CGAELP CCSCC[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000355744200 393338041 /nfs/dbraw/zinc/33/80/41/393338041.db2.gz YIJJPDSGWSGJKU-KRWDZBQOSA-N 2 2 292.492 3.384 10 0 CGAELP CC[NH+](CC)CCNc1[nH+]c2ccccc2n1C(C)C ZINC000005817566 170142682 /nfs/dbraw/zinc/14/26/82/170142682.db2.gz SZHXDGLMQADJHP-UHFFFAOYSA-N 2 2 274.412 3.371 10 0 CGAELP CCCCCC[C@H](C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000020520570 171233965 /nfs/dbraw/zinc/23/39/65/171233965.db2.gz BHUMPCRMXSUTDN-CQSZACIVSA-N 2 2 266.454 3.404 10 0 CGAELP CCCCCC[C@H](C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000020520570 171233966 /nfs/dbraw/zinc/23/39/66/171233966.db2.gz BHUMPCRMXSUTDN-CQSZACIVSA-N 2 2 266.454 3.404 10 0 CGAELP CCc1ccc([C@@H]([NH3+])C[N@H+](C)Cc2ccccc2)cc1 ZINC000035206608 172051355 /nfs/dbraw/zinc/05/13/55/172051355.db2.gz SDOQHHYXHBXVQX-SFHVURJKSA-N 2 2 268.404 3.381 10 0 CGAELP CCc1ccc([C@@H]([NH3+])C[N@@H+](C)Cc2ccccc2)cc1 ZINC000035206608 172051358 /nfs/dbraw/zinc/05/13/58/172051358.db2.gz SDOQHHYXHBXVQX-SFHVURJKSA-N 2 2 268.404 3.381 10 0 CGAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccccc1Br ZINC000035570436 172266754 /nfs/dbraw/zinc/26/67/54/172266754.db2.gz NRJAUFHSZAFMFE-LBPRGKRZSA-N 2 2 294.196 3.066 10 0 CGAELP C[C@H]1CCC[C@@](C[NH3+])([N@H+](C)Cc2ccsc2)C1 ZINC000035719091 172373170 /nfs/dbraw/zinc/37/31/70/172373170.db2.gz QSWALIJOQCYCQK-GXTWGEPZSA-N 2 2 252.427 3.088 10 0 CGAELP C[C@H]1CCC[C@@](C[NH3+])([N@@H+](C)Cc2ccsc2)C1 ZINC000035719091 172373172 /nfs/dbraw/zinc/37/31/72/172373172.db2.gz QSWALIJOQCYCQK-GXTWGEPZSA-N 2 2 252.427 3.088 10 0 CGAELP Cc1cc[nH+]c(NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC000043561587 175066499 /nfs/dbraw/zinc/06/64/99/175066499.db2.gz UZIBPNKGUZAJFO-GOEBONIOSA-N 2 2 261.413 3.312 10 0 CGAELP CCC[N@H+]([C@@H](c1cccs1)C1CC1)[C@H]1CC[NH2+]C1 ZINC000071315006 176121462 /nfs/dbraw/zinc/12/14/62/176121462.db2.gz ZQRCHTRKVNCGDU-DZGCQCFKSA-N 2 2 264.438 3.273 10 0 CGAELP CCC[N@@H+]([C@@H](c1cccs1)C1CC1)[C@H]1CC[NH2+]C1 ZINC000071315006 176121463 /nfs/dbraw/zinc/12/14/63/176121463.db2.gz ZQRCHTRKVNCGDU-DZGCQCFKSA-N 2 2 264.438 3.273 10 0 CGAELP c1ccc(CC[N@@H+]2CC[C@H]([NH2+]CC3CCCC3)C2)cc1 ZINC000040671367 270029632 /nfs/dbraw/zinc/02/96/32/270029632.db2.gz JWXAHJCXVYVHKQ-SFHVURJKSA-N 2 2 272.436 3.083 10 0 CGAELP c1ccc(CC[N@H+]2CC[C@H]([NH2+]CC3CCCC3)C2)cc1 ZINC000040671367 270029633 /nfs/dbraw/zinc/02/96/33/270029633.db2.gz JWXAHJCXVYVHKQ-SFHVURJKSA-N 2 2 272.436 3.083 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]CC1=Cc2ccccc2OC1 ZINC000105436429 270047468 /nfs/dbraw/zinc/04/74/68/270047468.db2.gz VHKIHWAPMVPICD-QGZVFWFLSA-N 2 2 288.435 3.028 10 0 CGAELP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000524771219 270114831 /nfs/dbraw/zinc/11/48/31/270114831.db2.gz ZEJZZEBTNBINCB-KFWWJZLASA-N 2 2 252.446 3.133 10 0 CGAELP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000524771219 270114832 /nfs/dbraw/zinc/11/48/32/270114832.db2.gz ZEJZZEBTNBINCB-KFWWJZLASA-N 2 2 252.446 3.133 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000250219539 279323561 /nfs/dbraw/zinc/32/35/61/279323561.db2.gz DPOQBGXPPCYBSB-KKUMJFAQSA-N 2 2 252.446 3.275 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000250219539 279323564 /nfs/dbraw/zinc/32/35/64/279323564.db2.gz DPOQBGXPPCYBSB-KKUMJFAQSA-N 2 2 252.446 3.275 10 0 CGAELP Cc1cc(N2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)nc(C)[nH+]1 ZINC000275849184 301338632 /nfs/dbraw/zinc/33/86/32/301338632.db2.gz RFTQPICZZPYMNZ-HNNXBMFYSA-N 2 2 297.406 3.037 10 0 CGAELP CSCC1CCC([NH2+][C@H](CC(C)C)C[NH+](C)C)CC1 ZINC000385515150 336150448 /nfs/dbraw/zinc/15/04/48/336150448.db2.gz HNNXXQPISAODJZ-UYSNPLJNSA-N 2 2 286.529 3.474 10 0 CGAELP CCC[NH2+]C1CC[NH+]([C@H](C)c2ccc(C)o2)CC1 ZINC000049216739 519906886 /nfs/dbraw/zinc/90/68/86/519906886.db2.gz JGTBGJWFYICRJP-CYBMUJFWSA-N 2 2 250.386 3.113 10 0 CGAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000049196633 519814856 /nfs/dbraw/zinc/81/48/56/519814856.db2.gz DUNBMDWGIJFOHR-KFWWJZLASA-N 2 2 254.462 3.377 10 0 CGAELP CC[NH2+]C[C@@H](C(C)C)[N@H+](Cc1cccs1)C1CC1 ZINC000052370598 519929747 /nfs/dbraw/zinc/92/97/47/519929747.db2.gz ZQQODKFVBVYLLM-HNNXBMFYSA-N 2 2 266.454 3.347 10 0 CGAELP CC[NH2+]C[C@@H](C(C)C)[N@@H+](Cc1cccs1)C1CC1 ZINC000052370598 519929752 /nfs/dbraw/zinc/92/97/52/519929752.db2.gz ZQQODKFVBVYLLM-HNNXBMFYSA-N 2 2 266.454 3.347 10 0 CGAELP CCC[NH2+]Cc1ccccc1C[N@@H+]1CC2CCC1C2 ZINC000052543901 519956409 /nfs/dbraw/zinc/95/64/09/519956409.db2.gz HSNMERKAIIACGG-WMLDXEAASA-N 2 2 258.409 3.171 10 0 CGAELP CCC[NH2+]Cc1ccccc1C[N@H+]1CC2CCC1C2 ZINC000052543901 519956415 /nfs/dbraw/zinc/95/64/15/519956415.db2.gz HSNMERKAIIACGG-WMLDXEAASA-N 2 2 258.409 3.171 10 0 CGAELP CC[C@@H](C[NH2+]C(C)C)[N@H+](C)Cc1ccc(F)cc1 ZINC000052346124 522544014 /nfs/dbraw/zinc/54/40/14/522544014.db2.gz PYTSSDJSRXJZJV-HNNXBMFYSA-N 2 2 252.377 3.034 10 0 CGAELP CC[C@@H](C[NH2+]C(C)C)[N@@H+](C)Cc1ccc(F)cc1 ZINC000052346124 522544024 /nfs/dbraw/zinc/54/40/24/522544024.db2.gz PYTSSDJSRXJZJV-HNNXBMFYSA-N 2 2 252.377 3.034 10 0 CGAELP Cc1cc2[nH+]cn(C[C@@H](C)C[NH2+]C(C)C)c2cc1C ZINC000052575767 525682681 /nfs/dbraw/zinc/68/26/81/525682681.db2.gz LKRMKPAFYBKMDG-LBPRGKRZSA-N 2 2 259.397 3.287 10 0 CGAELP C[NH+](C)CC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000140857391 346106032 /nfs/dbraw/zinc/10/60/32/346106032.db2.gz LRYGUGMIZWPVFP-UHFFFAOYSA-N 2 2 280.415 3.269 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCc3c(OC)cccc32)C1 ZINC000249528372 346382339 /nfs/dbraw/zinc/38/23/39/346382339.db2.gz JFFXEGLEKMVXOU-YOEHRIQHSA-N 2 2 288.435 3.147 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCCc3c(OC)cccc32)C1 ZINC000249528372 346382341 /nfs/dbraw/zinc/38/23/41/346382341.db2.gz JFFXEGLEKMVXOU-YOEHRIQHSA-N 2 2 288.435 3.147 10 0 CGAELP C[N@@H+]1CC[C@@H](C[NH2+]CC2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245707478 283043185 /nfs/dbraw/zinc/04/31/85/283043185.db2.gz ONQHWNAHFWYVNW-XJKSGUPXSA-N 2 2 296.817 3.472 10 0 CGAELP C[N@H+]1CC[C@@H](C[NH2+]CC2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245707478 283043188 /nfs/dbraw/zinc/04/31/88/283043188.db2.gz ONQHWNAHFWYVNW-XJKSGUPXSA-N 2 2 296.817 3.472 10 0 CGAELP CCc1cc(Nc2ccc(N3CCCC3)[nH+]c2C)nc(C)[nH+]1 ZINC000302120214 201350074 /nfs/dbraw/zinc/35/00/74/201350074.db2.gz XQZLQVUTIBSBDA-UHFFFAOYSA-N 2 2 297.406 3.395 10 0 CGAELP CCOc1cccc([C@@H](C[NH3+])[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000022853990 368812113 /nfs/dbraw/zinc/81/21/13/368812113.db2.gz ZLOAJFXYSRAMIG-JKIFEVAISA-N 2 2 276.424 3.348 10 0 CGAELP CCOc1cccc([C@@H](C[NH3+])[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000022853990 368812118 /nfs/dbraw/zinc/81/21/18/368812118.db2.gz ZLOAJFXYSRAMIG-JKIFEVAISA-N 2 2 276.424 3.348 10 0 CGAELP CC(C)c1cc(N[C@@H]2CCC[NH2+]C2)nc(-c2ccccc2)[nH+]1 ZINC000070456403 369800902 /nfs/dbraw/zinc/80/09/02/369800902.db2.gz PWXSAAFTBJIDNP-OAHLLOKOSA-N 2 2 296.418 3.431 10 0 CGAELP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000153228584 371756735 /nfs/dbraw/zinc/75/67/35/371756735.db2.gz OAPRDBZOGSRTKH-ZOBUZTSGSA-N 2 2 260.425 3.374 10 0 CGAELP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000153228584 371756743 /nfs/dbraw/zinc/75/67/43/371756743.db2.gz OAPRDBZOGSRTKH-ZOBUZTSGSA-N 2 2 260.425 3.374 10 0 CGAELP CCc1[nH+]c2ccccc2n1CC[NH2+]C(C1CC1)C1CC1 ZINC000062808155 541887068 /nfs/dbraw/zinc/88/70/68/541887068.db2.gz BSZTZPIGFYDFPM-UHFFFAOYSA-N 2 2 283.419 3.377 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000184669125 374549735 /nfs/dbraw/zinc/54/97/35/374549735.db2.gz JWLWWLSANYDHQA-CABCVRRESA-N 2 2 291.439 3.040 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000184669125 374549741 /nfs/dbraw/zinc/54/97/41/374549741.db2.gz JWLWWLSANYDHQA-CABCVRRESA-N 2 2 291.439 3.040 10 0 CGAELP CCn1cc[nH+]c1CSCC[N@H+](C)Cc1ccccc1 ZINC000193635331 375900991 /nfs/dbraw/zinc/90/09/91/375900991.db2.gz PHJQXIFRGATXSS-UHFFFAOYSA-N 2 2 289.448 3.268 10 0 CGAELP CCn1cc[nH+]c1CSCC[N@@H+](C)Cc1ccccc1 ZINC000193635331 375901000 /nfs/dbraw/zinc/90/10/00/375901000.db2.gz PHJQXIFRGATXSS-UHFFFAOYSA-N 2 2 289.448 3.268 10 0 CGAELP C[C@@H](C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)[N@H+](C)C1CC1 ZINC000230656591 376525384 /nfs/dbraw/zinc/52/53/84/376525384.db2.gz INVSDEBPNUJZPL-RDBSUJKOSA-N 2 2 252.446 3.274 10 0 CGAELP C[C@@H](C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)[N@@H+](C)C1CC1 ZINC000230656591 376525392 /nfs/dbraw/zinc/52/53/92/376525392.db2.gz INVSDEBPNUJZPL-RDBSUJKOSA-N 2 2 252.446 3.274 10 0 CGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(F)c(F)cc3F)CC[C@H]21 ZINC000246823258 377097883 /nfs/dbraw/zinc/09/78/83/377097883.db2.gz RKMWJKWFUZEFSG-MEDUHNTESA-N 2 2 298.352 3.020 10 0 CGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(F)c(F)cc3F)CC[C@H]21 ZINC000246823258 377097893 /nfs/dbraw/zinc/09/78/93/377097893.db2.gz RKMWJKWFUZEFSG-MEDUHNTESA-N 2 2 298.352 3.020 10 0 CGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(F)c(F)cc3F)CC[C@H]21 ZINC000246823258 377097896 /nfs/dbraw/zinc/09/78/96/377097896.db2.gz RKMWJKWFUZEFSG-MEDUHNTESA-N 2 2 298.352 3.020 10 0 CGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(F)c(F)cc3F)CC[C@H]21 ZINC000246823258 377097902 /nfs/dbraw/zinc/09/79/02/377097902.db2.gz RKMWJKWFUZEFSG-MEDUHNTESA-N 2 2 298.352 3.020 10 0 CGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(C)(C)C ZINC000248183734 377277670 /nfs/dbraw/zinc/27/76/70/377277670.db2.gz WYIBOLYAQQNSTH-HLLBOEOZSA-N 2 2 289.467 3.316 10 0 CGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(C)(C)C ZINC000248183734 377277675 /nfs/dbraw/zinc/27/76/75/377277675.db2.gz WYIBOLYAQQNSTH-HLLBOEOZSA-N 2 2 289.467 3.316 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](C)Sc3sccc32)C1 ZINC000389159904 379893827 /nfs/dbraw/zinc/89/38/27/379893827.db2.gz AGRVLMJSRLLONT-LOWVWBTDSA-N 2 2 282.478 3.357 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](C)Sc3sccc32)C1 ZINC000389159904 379893832 /nfs/dbraw/zinc/89/38/32/379893832.db2.gz AGRVLMJSRLLONT-LOWVWBTDSA-N 2 2 282.478 3.357 10 0 CGAELP C[C@@H]([NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1)C1CCC1 ZINC000245849212 542323717 /nfs/dbraw/zinc/32/37/17/542323717.db2.gz GBOAOKVDGSIANI-LSDHHAIUSA-N 2 2 260.425 3.285 10 0 CGAELP C[C@@H]([NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1)C1CCC1 ZINC000245849212 542323720 /nfs/dbraw/zinc/32/37/20/542323720.db2.gz GBOAOKVDGSIANI-LSDHHAIUSA-N 2 2 260.425 3.285 10 0 CGAELP C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000246775962 131096866 /nfs/dbraw/zinc/09/68/66/131096866.db2.gz BRVMSASPLFXFFQ-YXJHDRRASA-N 2 2 299.418 3.074 10 0 CGAELP CCCOc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000675789014 543365332 /nfs/dbraw/zinc/36/53/32/543365332.db2.gz QJDGNYBBXUTTNN-KEYYUXOJSA-N 2 2 276.424 3.076 10 0 CGAELP CCCOc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000675789014 543365335 /nfs/dbraw/zinc/36/53/35/543365335.db2.gz QJDGNYBBXUTTNN-KEYYUXOJSA-N 2 2 276.424 3.076 10 0 CGAELP C[NH2+][C@@H]1CCC[N@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000094901293 165396546 /nfs/dbraw/zinc/39/65/46/165396546.db2.gz KCPXPKFLUCLFPX-QGZVFWFLSA-N 2 2 260.425 3.069 10 0 CGAELP C[NH2+][C@@H]1CCC[N@@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000094901293 165396552 /nfs/dbraw/zinc/39/65/52/165396552.db2.gz KCPXPKFLUCLFPX-QGZVFWFLSA-N 2 2 260.425 3.069 10 0 CGAELP Cc1ccc([C@@H](C[NH3+])[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020225532 171087883 /nfs/dbraw/zinc/08/78/83/171087883.db2.gz YKEZEHSRCXOIJR-GOSISDBHSA-N 2 2 266.388 3.053 10 0 CGAELP Cc1ccc([C@@H](C[NH3+])[N@H+]2CCc3ccccc3C2)cc1 ZINC000020225532 171087885 /nfs/dbraw/zinc/08/78/85/171087885.db2.gz YKEZEHSRCXOIJR-GOSISDBHSA-N 2 2 266.388 3.053 10 0 CGAELP CCOc1ccccc1[C@H](C[NH3+])[N@H+](C)CC(C)(C)C ZINC000020226165 171089595 /nfs/dbraw/zinc/08/95/95/171089595.db2.gz JKXRVQAKAKYQJM-AWEZNQCLSA-N 2 2 264.413 3.063 10 0 CGAELP CCOc1ccccc1[C@H](C[NH3+])[N@@H+](C)CC(C)(C)C ZINC000020226165 171089596 /nfs/dbraw/zinc/08/95/96/171089596.db2.gz JKXRVQAKAKYQJM-AWEZNQCLSA-N 2 2 264.413 3.063 10 0 CGAELP CCC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@@H]([NH+]2CCCCC2)C1 ZINC000021011856 171287768 /nfs/dbraw/zinc/28/77/68/171287768.db2.gz MVTVUKANGSUAKD-ILXRZTDVSA-N 2 2 252.446 3.405 10 0 CGAELP CC(C)[N@H+](C)[C@H](C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000022175212 171369728 /nfs/dbraw/zinc/36/97/28/171369728.db2.gz NNAAMTBPOFERFG-GFCCVEGCSA-N 2 2 260.303 3.045 10 0 CGAELP CC(C)[N@@H+](C)[C@H](C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000022175212 171369729 /nfs/dbraw/zinc/36/97/29/171369729.db2.gz NNAAMTBPOFERFG-GFCCVEGCSA-N 2 2 260.303 3.045 10 0 CGAELP C[C@H]1C[C@H]1c1ccc([C@@H](C[NH3+])[N@@H+]2CCCC[C@@H]2C)o1 ZINC000022223311 171379402 /nfs/dbraw/zinc/37/94/02/171379402.db2.gz HQHQPJSFLDSFMT-IGQOVBAYSA-N 2 2 262.397 3.277 10 0 CGAELP C[C@H]1C[C@H]1c1ccc([C@@H](C[NH3+])[N@H+]2CCCC[C@@H]2C)o1 ZINC000022223311 171379403 /nfs/dbraw/zinc/37/94/03/171379403.db2.gz HQHQPJSFLDSFMT-IGQOVBAYSA-N 2 2 262.397 3.277 10 0 CGAELP [NH3+]CC1([N@@H+]2CCC[C@H]3CCCC[C@@H]32)CCCCC1 ZINC000035176758 172029876 /nfs/dbraw/zinc/02/98/76/172029876.db2.gz WCFBFWUOXGSSOK-CABCVRRESA-N 2 2 250.430 3.303 10 0 CGAELP [NH3+]CC1([N@H+]2CCC[C@H]3CCCC[C@@H]32)CCCCC1 ZINC000035176758 172029879 /nfs/dbraw/zinc/02/98/79/172029879.db2.gz WCFBFWUOXGSSOK-CABCVRRESA-N 2 2 250.430 3.303 10 0 CGAELP [NH3+]CC1([N@@H+]2CC[C@H]3CCCC[C@@H]3C2)CCCCC1 ZINC000035176762 172029940 /nfs/dbraw/zinc/02/99/40/172029940.db2.gz JNTCLIJQDQPVPB-HUUCEWRRSA-N 2 2 250.430 3.160 10 0 CGAELP [NH3+]CC1([N@H+]2CC[C@H]3CCCC[C@@H]3C2)CCCCC1 ZINC000035176762 172029943 /nfs/dbraw/zinc/02/99/43/172029943.db2.gz JNTCLIJQDQPVPB-HUUCEWRRSA-N 2 2 250.430 3.160 10 0 CGAELP [NH3+]CC1([N@@H+]2CCC[C@@H]3CCCC[C@@H]32)CCCCC1 ZINC000035176759 172030097 /nfs/dbraw/zinc/03/00/97/172030097.db2.gz WCFBFWUOXGSSOK-GJZGRUSLSA-N 2 2 250.430 3.303 10 0 CGAELP [NH3+]CC1([N@H+]2CCC[C@@H]3CCCC[C@@H]32)CCCCC1 ZINC000035176759 172030101 /nfs/dbraw/zinc/03/01/01/172030101.db2.gz WCFBFWUOXGSSOK-GJZGRUSLSA-N 2 2 250.430 3.303 10 0 CGAELP CC(C)n1c(CCC[NH3+])[nH+]c2cccc(Cl)c21 ZINC000037444317 173212279 /nfs/dbraw/zinc/21/22/79/173212279.db2.gz WCNUOCCWDOQOMU-UHFFFAOYSA-N 2 2 251.761 3.162 10 0 CGAELP Cc1cc(NC[C@@H](C)[NH+]2CCCCC2)nc(C(C)C)[nH+]1 ZINC000038029280 174019788 /nfs/dbraw/zinc/01/97/88/174019788.db2.gz JGTXMPULHDPENH-CQSZACIVSA-N 2 2 276.428 3.195 10 0 CGAELP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC000071309328 176116856 /nfs/dbraw/zinc/11/68/56/176116856.db2.gz YWGIVCLKRQQLLK-CZUORRHYSA-N 2 2 260.425 3.339 10 0 CGAELP C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC000071309328 176116857 /nfs/dbraw/zinc/11/68/57/176116857.db2.gz YWGIVCLKRQQLLK-CZUORRHYSA-N 2 2 260.425 3.339 10 0 CGAELP CC(C)Cc1ccc([C@@H](C[NH3+])[NH+]2CCCCC2)cc1 ZINC000071587084 176214562 /nfs/dbraw/zinc/21/45/62/176214562.db2.gz AAXPYITUOPZLPH-QGZVFWFLSA-N 2 2 260.425 3.371 10 0 CGAELP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000037213857 276373713 /nfs/dbraw/zinc/37/37/13/276373713.db2.gz PAKCVKHWLBUQPM-SJLPKXTDSA-N 2 2 288.435 3.220 10 0 CGAELP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000037213857 276373714 /nfs/dbraw/zinc/37/37/14/276373714.db2.gz PAKCVKHWLBUQPM-SJLPKXTDSA-N 2 2 288.435 3.220 10 0 CGAELP CC1(C)CC[NH+]([C@@H](C[NH3+])c2ccccc2Cl)CC1 ZINC000061818463 520383858 /nfs/dbraw/zinc/38/38/58/520383858.db2.gz NBLIXBPPLROVBP-AWEZNQCLSA-N 2 2 266.816 3.462 10 0 CGAELP CC[NH2+]C1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000049526049 519908708 /nfs/dbraw/zinc/90/87/08/519908708.db2.gz OFIRVSDQPPJAEY-GFCCVEGCSA-N 2 2 266.816 3.475 10 0 CGAELP CCC[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccc(C)s2)C1 ZINC000049183951 520093652 /nfs/dbraw/zinc/09/36/52/520093652.db2.gz JCUODNGBIFOPIF-STQMWFEESA-N 2 2 252.427 3.191 10 0 CGAELP CCC[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccc(C)s2)C1 ZINC000049183951 520093656 /nfs/dbraw/zinc/09/36/56/520093656.db2.gz JCUODNGBIFOPIF-STQMWFEESA-N 2 2 252.427 3.191 10 0 CGAELP CC/C=C/CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000184530050 520197043 /nfs/dbraw/zinc/19/70/43/520197043.db2.gz IKBOLQUPGMZVCW-LLYBFZRZSA-N 2 2 261.413 3.439 10 0 CGAELP CC/C=C/CC[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000184530050 520197053 /nfs/dbraw/zinc/19/70/53/520197053.db2.gz IKBOLQUPGMZVCW-LLYBFZRZSA-N 2 2 261.413 3.439 10 0 CGAELP CC[NH+](CC)c1ccc(NCc2c[nH+]c(C)[nH]2)cc1 ZINC000054821729 520920515 /nfs/dbraw/zinc/92/05/15/520920515.db2.gz IJRVCZJYZFFAJA-UHFFFAOYSA-N 2 2 258.369 3.176 10 0 CGAELP CC[NH+](CC)c1ccc(NCc2c[nH]c(C)[nH+]2)cc1 ZINC000054821729 520920519 /nfs/dbraw/zinc/92/05/19/520920519.db2.gz IJRVCZJYZFFAJA-UHFFFAOYSA-N 2 2 258.369 3.176 10 0 CGAELP Cc1cc(C)c(-c2c[nH]c(C3CC[NH2+]CC3)[nH+]2)cc1C ZINC000055265582 524209261 /nfs/dbraw/zinc/20/92/61/524209261.db2.gz GUBLXLMWPGHEKN-UHFFFAOYSA-N 2 2 269.392 3.469 10 0 CGAELP Cc1ccc(C[N@@H+](C)[C@@H](C[NH2+]C(C)(C)C)C(C)C)o1 ZINC000052455577 524397033 /nfs/dbraw/zinc/39/70/33/524397033.db2.gz UWGJIEFTJSDOAA-HNNXBMFYSA-N 2 2 266.429 3.433 10 0 CGAELP Cc1ccc(C[N@H+](C)[C@@H](C[NH2+]C(C)(C)C)C(C)C)o1 ZINC000052455577 524397040 /nfs/dbraw/zinc/39/70/40/524397040.db2.gz UWGJIEFTJSDOAA-HNNXBMFYSA-N 2 2 266.429 3.433 10 0 CGAELP Cc1cc[nH+]c(N[C@H](C)CCCC[NH3+])c1Br ZINC000309486789 525702165 /nfs/dbraw/zinc/70/21/65/525702165.db2.gz YIMMFFNMYGCHJJ-SNVBAGLBSA-N 2 2 286.217 3.082 10 0 CGAELP [NH3+]C[C@@H](c1csc2ccccc12)[NH+]1CCCCC1 ZINC000054463936 527207381 /nfs/dbraw/zinc/20/73/81/527207381.db2.gz JGUDWJWEXIFWDD-AWEZNQCLSA-N 2 2 260.406 3.387 10 0 CGAELP Cc1ccccc1[C@@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000096947872 185137462 /nfs/dbraw/zinc/13/74/62/185137462.db2.gz NJRGDJDBKVOLRG-ZWKOTPCHSA-N 2 2 266.388 3.269 10 0 CGAELP Cc1ccccc1[C@@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1 ZINC000096947872 185137463 /nfs/dbraw/zinc/13/74/63/185137463.db2.gz NJRGDJDBKVOLRG-ZWKOTPCHSA-N 2 2 266.388 3.269 10 0 CGAELP Cc1cc2ccccc2[nH+]c1N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000063106344 345243395 /nfs/dbraw/zinc/24/33/95/345243395.db2.gz LOEITBUHXNGOEC-DZGCQCFKSA-N 2 2 269.392 3.343 10 0 CGAELP COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188403287 542248071 /nfs/dbraw/zinc/24/80/71/542248071.db2.gz GYMUYUVINKZHSA-BBOMDTFKSA-N 2 2 297.402 3.070 10 0 CGAELP COc1ccccc1/C=C/C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188403287 542248073 /nfs/dbraw/zinc/24/80/73/542248073.db2.gz GYMUYUVINKZHSA-BBOMDTFKSA-N 2 2 297.402 3.070 10 0 CGAELP Cc1[nH+]c(C)n2c1[C@@H](CCc1ccc(C)cc1)[NH2+]CC2 ZINC000114152479 345963907 /nfs/dbraw/zinc/96/39/07/345963907.db2.gz YGBDVXBVEJMQFV-MRXNPFEDSA-N 2 2 269.392 3.085 10 0 CGAELP Nc1ccc([C@H]2CCC[N@H+](Cc3ccccc3)CC2)c[nH+]1 ZINC000616600550 348841430 /nfs/dbraw/zinc/84/14/30/348841430.db2.gz DTGDLVIFQQGUJT-INIZCTEOSA-N 2 2 281.403 3.264 10 0 CGAELP Nc1ccc([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)c[nH+]1 ZINC000616600550 348841431 /nfs/dbraw/zinc/84/14/31/348841431.db2.gz DTGDLVIFQQGUJT-INIZCTEOSA-N 2 2 281.403 3.264 10 0 CGAELP [NH3+]CC[N@@H+]1CCCCC[C@H]1c1cccc2cnccc21 ZINC000616629400 348851681 /nfs/dbraw/zinc/85/16/81/348851681.db2.gz ILFGPTVHHZCMLT-KRWDZBQOSA-N 2 2 269.392 3.111 10 0 CGAELP [NH3+]CC[N@H+]1CCCCC[C@H]1c1cccc2cnccc21 ZINC000616629400 348851683 /nfs/dbraw/zinc/85/16/83/348851683.db2.gz ILFGPTVHHZCMLT-KRWDZBQOSA-N 2 2 269.392 3.111 10 0 CGAELP Nc1cc([C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000616627963 348851907 /nfs/dbraw/zinc/85/19/07/348851907.db2.gz IFSOJCAJECZTSH-KRWDZBQOSA-N 2 2 281.403 3.264 10 0 CGAELP Nc1cc([C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000616627963 348851910 /nfs/dbraw/zinc/85/19/10/348851910.db2.gz IFSOJCAJECZTSH-KRWDZBQOSA-N 2 2 281.403 3.264 10 0 CGAELP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccc(F)c(Cl)c1 ZINC000358384374 233120969 /nfs/dbraw/zinc/12/09/69/233120969.db2.gz QEMFZLCWPUQAML-BHDSKKPTSA-N 2 2 270.779 3.080 10 0 CGAELP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(F)c(Cl)c1 ZINC000358384374 233120971 /nfs/dbraw/zinc/12/09/71/233120971.db2.gz QEMFZLCWPUQAML-BHDSKKPTSA-N 2 2 270.779 3.080 10 0 CGAELP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccc(F)c(Cl)c1 ZINC000358384373 233121436 /nfs/dbraw/zinc/12/14/36/233121436.db2.gz QEMFZLCWPUQAML-BFVZDQMLSA-N 2 2 270.779 3.080 10 0 CGAELP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccc(F)c(Cl)c1 ZINC000358384373 233121438 /nfs/dbraw/zinc/12/14/38/233121438.db2.gz QEMFZLCWPUQAML-BFVZDQMLSA-N 2 2 270.779 3.080 10 0 CGAELP COc1ccccc1C[NH2+][C@@H]1CCC[NH2+][C@H]1c1ccccc1 ZINC000019360857 368750593 /nfs/dbraw/zinc/75/05/93/368750593.db2.gz DTQNEFOKTXXQKV-MJGOQNOKSA-N 2 2 296.414 3.278 10 0 in-vivo CGAELP CC[N@@H+]1CCC[C@H]([NH2+]Cc2cc(C)c(C)cc2C)C1 ZINC000040502873 369158274 /nfs/dbraw/zinc/15/82/74/369158274.db2.gz UZFZXYYTLPDTCE-KRWDZBQOSA-N 2 2 260.425 3.186 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+]Cc2cc(C)c(C)cc2C)C1 ZINC000040502873 369158277 /nfs/dbraw/zinc/15/82/77/369158277.db2.gz UZFZXYYTLPDTCE-KRWDZBQOSA-N 2 2 260.425 3.186 10 0 CGAELP CC(C)OC1CC([NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000189541791 375408112 /nfs/dbraw/zinc/40/81/12/375408112.db2.gz FGXJLCJXGPQHIN-MXWWQKGMSA-N 2 2 299.418 3.479 10 0 CGAELP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193608094 375898393 /nfs/dbraw/zinc/89/83/93/375898393.db2.gz QDAJOGSFZLAZON-WCFLWFBJSA-N 2 2 282.790 3.034 10 0 CGAELP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193608094 375898399 /nfs/dbraw/zinc/89/83/99/375898399.db2.gz QDAJOGSFZLAZON-WCFLWFBJSA-N 2 2 282.790 3.034 10 0 CGAELP C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193608094 375898404 /nfs/dbraw/zinc/89/84/04/375898404.db2.gz QDAJOGSFZLAZON-WCFLWFBJSA-N 2 2 282.790 3.034 10 0 CGAELP C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193608094 375898407 /nfs/dbraw/zinc/89/84/07/375898407.db2.gz QDAJOGSFZLAZON-WCFLWFBJSA-N 2 2 282.790 3.034 10 0 CGAELP C[C@@H]1CC[N@H+](Cc2cccnc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000245610707 376867101 /nfs/dbraw/zinc/86/71/01/376867101.db2.gz NYWULHFBTMQZCI-TZMCWYRMSA-N 2 2 290.798 3.015 10 0 CGAELP C[C@@H]1CC[N@@H+](Cc2cccnc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000245610707 376867108 /nfs/dbraw/zinc/86/71/08/376867108.db2.gz NYWULHFBTMQZCI-TZMCWYRMSA-N 2 2 290.798 3.015 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC000246393827 377022284 /nfs/dbraw/zinc/02/22/84/377022284.db2.gz PWZKBWJTQGKJMV-HUUCEWRRSA-N 2 2 284.407 3.239 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)c2ccccn2)C1 ZINC000246393827 377022292 /nfs/dbraw/zinc/02/22/92/377022292.db2.gz PWZKBWJTQGKJMV-HUUCEWRRSA-N 2 2 284.407 3.239 10 0 CGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccoc1 ZINC000248163671 377274374 /nfs/dbraw/zinc/27/43/74/377274374.db2.gz SODJQMNYHDPTCC-RVKKMQEKSA-N 2 2 299.418 3.236 10 0 CGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccoc1 ZINC000248163671 377274381 /nfs/dbraw/zinc/27/43/81/377274381.db2.gz SODJQMNYHDPTCC-RVKKMQEKSA-N 2 2 299.418 3.236 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000164679366 542171451 /nfs/dbraw/zinc/17/14/51/542171451.db2.gz KUFKGWGCWNIBOJ-HZPDHXFCSA-N 2 2 290.451 3.119 10 0 CGAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000246250787 542326296 /nfs/dbraw/zinc/32/62/96/542326296.db2.gz PLNFAYIFJAFDPG-DQYPLSBCSA-N 2 2 276.399 3.131 10 0 CGAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000246250787 542326301 /nfs/dbraw/zinc/32/63/01/542326301.db2.gz PLNFAYIFJAFDPG-DQYPLSBCSA-N 2 2 276.399 3.131 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCOc3cc(C)ccc32)C1 ZINC000247231143 285232368 /nfs/dbraw/zinc/23/23/68/285232368.db2.gz YHQQHSJRXAIWDA-WBVHZDCISA-N 2 2 288.435 3.283 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCOc3cc(C)ccc32)C1 ZINC000247231143 285232369 /nfs/dbraw/zinc/23/23/69/285232369.db2.gz YHQQHSJRXAIWDA-WBVHZDCISA-N 2 2 288.435 3.283 10 0 CGAELP C[C@H]([NH2+]CC[C@@H]1CCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189892915 130037621 /nfs/dbraw/zinc/03/76/21/130037621.db2.gz HPFMYAYQLOORNS-YOEHRIQHSA-N 2 2 285.391 3.092 10 0 CGAELP FC1(F)CCCC[C@@H]1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000394658113 397695487 /nfs/dbraw/zinc/69/54/87/397695487.db2.gz NCDLMUIGSZHMDB-QLFBSQMISA-N 2 2 286.410 3.418 10 0 CGAELP FC1(F)CCCC[C@@H]1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000394658113 397695489 /nfs/dbraw/zinc/69/54/89/397695489.db2.gz NCDLMUIGSZHMDB-QLFBSQMISA-N 2 2 286.410 3.418 10 0 CGAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000674880125 543303313 /nfs/dbraw/zinc/30/33/13/543303313.db2.gz GKDJLWNSOLWWNO-WIRQWFGLSA-N 2 2 278.827 3.126 10 0 CGAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000674880125 543303316 /nfs/dbraw/zinc/30/33/16/543303316.db2.gz GKDJLWNSOLWWNO-WIRQWFGLSA-N 2 2 278.827 3.126 10 0 CGAELP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccc2ccccc2c1 ZINC000675725846 543358156 /nfs/dbraw/zinc/35/81/56/543358156.db2.gz LNMBKSKARDVNRH-SUNYJGFJSA-N 2 2 268.404 3.441 10 0 CGAELP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccc2ccccc2c1 ZINC000675725846 543358157 /nfs/dbraw/zinc/35/81/57/543358157.db2.gz LNMBKSKARDVNRH-SUNYJGFJSA-N 2 2 268.404 3.441 10 0 CGAELP Cc1cccc(C[N@@H+](C)[C@H](C[NH3+])c2cccc(C)c2)c1 ZINC000020225487 171088542 /nfs/dbraw/zinc/08/85/42/171088542.db2.gz PACJOHQDRSSCCA-GOSISDBHSA-N 2 2 268.404 3.435 10 0 CGAELP Cc1cccc(C[N@H+](C)[C@H](C[NH3+])c2cccc(C)c2)c1 ZINC000020225487 171088544 /nfs/dbraw/zinc/08/85/44/171088544.db2.gz PACJOHQDRSSCCA-GOSISDBHSA-N 2 2 268.404 3.435 10 0 CGAELP Cc1ccccc1[C@H](C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000020225423 171088746 /nfs/dbraw/zinc/08/87/46/171088746.db2.gz ABZGUABUKNWOAU-SFHVURJKSA-N 2 2 266.388 3.053 10 0 CGAELP Cc1ccccc1[C@H](C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000020225423 171088748 /nfs/dbraw/zinc/08/87/48/171088748.db2.gz ABZGUABUKNWOAU-SFHVURJKSA-N 2 2 266.388 3.053 10 0 CGAELP Cc1ccccc1C[N@@H+](C)[C@@H](C[NH3+])c1ccccc1 ZINC000020225368 171089012 /nfs/dbraw/zinc/08/90/12/171089012.db2.gz YWJMAPHFNVNTDK-KRWDZBQOSA-N 2 2 254.377 3.127 10 0 CGAELP Cc1ccccc1C[N@H+](C)[C@@H](C[NH3+])c1ccccc1 ZINC000020225368 171089013 /nfs/dbraw/zinc/08/90/13/171089013.db2.gz YWJMAPHFNVNTDK-KRWDZBQOSA-N 2 2 254.377 3.127 10 0 CGAELP CC1CC[NH+]([C@H]2C[C@H](C(C)(C)C)CC[C@@H]2[NH3+])CC1 ZINC000021805098 171327014 /nfs/dbraw/zinc/32/70/14/171327014.db2.gz ANKYCEOCRDQYOH-ILXRZTDVSA-N 2 2 252.446 3.260 10 0 CGAELP COc1ccc2cc([C@H](C[NH3+])[NH+]3CCCCC3)ccc2c1 ZINC000022211425 171373708 /nfs/dbraw/zinc/37/37/08/171373708.db2.gz XTECAPWRUJLTJU-SFHVURJKSA-N 2 2 284.403 3.334 10 0 CGAELP C[C@@H]1C[C@H](C)C[N@H+]([C@H](C[NH3+])c2ccc(Cl)cc2)C1 ZINC000039789093 174173248 /nfs/dbraw/zinc/17/32/48/174173248.db2.gz UXRCRQOEJBXZNE-TYNCELHUSA-N 2 2 266.816 3.318 10 0 CGAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@H](C[NH3+])c2ccc(Cl)cc2)C1 ZINC000039789093 174173250 /nfs/dbraw/zinc/17/32/50/174173250.db2.gz UXRCRQOEJBXZNE-TYNCELHUSA-N 2 2 266.816 3.318 10 0 CGAELP CC1(C)CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)[C@H]21 ZINC000076697528 177061096 /nfs/dbraw/zinc/06/10/96/177061096.db2.gz YHEVCQKICFAAOX-HZPDHXFCSA-N 2 2 258.409 3.039 10 0 CGAELP CC1(C)CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)[C@H]21 ZINC000076697528 177061098 /nfs/dbraw/zinc/06/10/98/177061098.db2.gz YHEVCQKICFAAOX-HZPDHXFCSA-N 2 2 258.409 3.039 10 0 CGAELP c1ccc(CC[N@@H+]2CC[C@@H]([NH2+]CC3CCCC3)C2)cc1 ZINC000040671369 270029636 /nfs/dbraw/zinc/02/96/36/270029636.db2.gz JWXAHJCXVYVHKQ-GOSISDBHSA-N 2 2 272.436 3.083 10 0 CGAELP c1ccc(CC[N@H+]2CC[C@@H]([NH2+]CC3CCCC3)C2)cc1 ZINC000040671369 270029637 /nfs/dbraw/zinc/02/96/37/270029637.db2.gz JWXAHJCXVYVHKQ-GOSISDBHSA-N 2 2 272.436 3.083 10 0 CGAELP CC[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000192850446 270078037 /nfs/dbraw/zinc/07/80/37/270078037.db2.gz WZYKBMNWTTZRLT-GXTWGEPZSA-N 2 2 281.469 3.004 10 0 CGAELP CC[C@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000192850446 270078038 /nfs/dbraw/zinc/07/80/38/270078038.db2.gz WZYKBMNWTTZRLT-GXTWGEPZSA-N 2 2 281.469 3.004 10 0 CGAELP CC[C@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000192850446 270078039 /nfs/dbraw/zinc/07/80/39/270078039.db2.gz WZYKBMNWTTZRLT-GXTWGEPZSA-N 2 2 281.469 3.004 10 0 CGAELP CC[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000192850446 270078040 /nfs/dbraw/zinc/07/80/40/270078040.db2.gz WZYKBMNWTTZRLT-GXTWGEPZSA-N 2 2 281.469 3.004 10 0 CGAELP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@H]2C)c(C)s1 ZINC000396666847 288015001 /nfs/dbraw/zinc/01/50/01/288015001.db2.gz PDJHXAPMSARHFX-COPLHBTASA-N 2 2 252.427 3.156 10 0 CGAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1ccc(Cl)cc1 ZINC000396707063 288015663 /nfs/dbraw/zinc/01/56/63/288015663.db2.gz KATKLUQGMUNCGN-WDMOLILDSA-N 2 2 252.789 3.131 10 0 CGAELP CC[C@H]([NH2+][C@H]1CCC[N@H+](CC)C1)c1ccsc1 ZINC000382060559 336081101 /nfs/dbraw/zinc/08/11/01/336081101.db2.gz AODYNJRZTMJSLK-KBPBESRZSA-N 2 2 252.427 3.273 10 0 CGAELP CC[C@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)c1ccsc1 ZINC000382060559 336081102 /nfs/dbraw/zinc/08/11/02/336081102.db2.gz AODYNJRZTMJSLK-KBPBESRZSA-N 2 2 252.427 3.273 10 0 CGAELP CCCC1CC[NH+]([C@@H]2CCCC[C@@H]2[NH2+]CC)CC1 ZINC000050893596 519903360 /nfs/dbraw/zinc/90/33/60/519903360.db2.gz DGLZLMZJPVJKBR-JKSUJKDBSA-N 2 2 252.446 3.419 10 0 CGAELP COc1c(C)c[nH+]c(CC(C)(C)C[NH2+]C2CC2)c1C ZINC000054638337 521807614 /nfs/dbraw/zinc/80/76/14/521807614.db2.gz HUVFBPIOAOTFIV-UHFFFAOYSA-N 2 2 262.397 3.028 10 0 CGAELP CC(C)Cc1ccc([C@H](C)[NH2+]Cc2c[nH+]c[nH]2)cc1 ZINC000054764309 519450138 /nfs/dbraw/zinc/45/01/38/519450138.db2.gz BIEQURWFEQABCP-ZDUSSCGKSA-N 2 2 257.381 3.459 10 0 CGAELP CC(C)C1CCC(C[NH3+])([N@H+](C)Cc2ccco2)CC1 ZINC000054557030 519560377 /nfs/dbraw/zinc/56/03/77/519560377.db2.gz WVFRHHXMFKSFLT-UHFFFAOYSA-N 2 2 264.413 3.255 10 0 CGAELP CC(C)C1CCC(C[NH3+])([N@@H+](C)Cc2ccco2)CC1 ZINC000054557030 519560385 /nfs/dbraw/zinc/56/03/85/519560385.db2.gz WVFRHHXMFKSFLT-UHFFFAOYSA-N 2 2 264.413 3.255 10 0 CGAELP CC(C)C[N@H+](C1CC1)[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054555555 519709634 /nfs/dbraw/zinc/70/96/34/519709634.db2.gz IOICPWCQTQCWSX-VNQPRFMTSA-N 2 2 252.446 3.259 10 0 CGAELP CC(C)C[N@@H+](C1CC1)[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054555555 519709636 /nfs/dbraw/zinc/70/96/36/519709636.db2.gz IOICPWCQTQCWSX-VNQPRFMTSA-N 2 2 252.446 3.259 10 0 CGAELP CCCC1CC[NH+]([C@H](C[NH2+]C)c2ccccc2)CC1 ZINC000052374130 519903612 /nfs/dbraw/zinc/90/36/12/519903612.db2.gz KGKZWQZSKWQRRI-QGZVFWFLSA-N 2 2 260.425 3.459 10 0 CGAELP CC[NH2+]C[C@H](CC)[N@@H+]1CCc2sccc2[C@@H]1C ZINC000052505263 519971197 /nfs/dbraw/zinc/97/11/97/519971197.db2.gz OCMFROUNLRXSFN-RYUDHWBXSA-N 2 2 252.427 3.055 10 0 CGAELP CC[NH2+]C[C@H](CC)[N@H+]1CCc2sccc2[C@@H]1C ZINC000052505263 519971203 /nfs/dbraw/zinc/97/12/03/519971203.db2.gz OCMFROUNLRXSFN-RYUDHWBXSA-N 2 2 252.427 3.055 10 0 CGAELP CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1[N@H+](C)CC1CC1 ZINC000054555226 520121231 /nfs/dbraw/zinc/12/12/31/520121231.db2.gz FXUZOZMOOUNZJI-OAGGEKHMSA-N 2 2 252.446 3.131 10 0 CGAELP CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1[N@@H+](C)CC1CC1 ZINC000054555226 520121236 /nfs/dbraw/zinc/12/12/36/520121236.db2.gz FXUZOZMOOUNZJI-OAGGEKHMSA-N 2 2 252.446 3.131 10 0 CGAELP CCCC[N@H+]([C@H](C[NH3+])c1ccc(F)cc1C)C1CC1 ZINC000050578951 520552082 /nfs/dbraw/zinc/55/20/82/520552082.db2.gz BLWAUBCTOJBXON-MRXNPFEDSA-N 2 2 264.388 3.398 10 0 CGAELP CCCC[N@@H+]([C@H](C[NH3+])c1ccc(F)cc1C)C1CC1 ZINC000050578951 520552088 /nfs/dbraw/zinc/55/20/88/520552088.db2.gz BLWAUBCTOJBXON-MRXNPFEDSA-N 2 2 264.388 3.398 10 0 CGAELP C[NH2+]Cc1nc(C[N@@H+]2CCc3sccc3[C@@H]2C)cs1 ZINC000052505176 522151983 /nfs/dbraw/zinc/15/19/83/522151983.db2.gz HJMHUUAVITXCDQ-JTQLQIEISA-N 2 2 293.461 3.043 10 0 CGAELP C[NH2+]Cc1nc(C[N@H+]2CCc3sccc3[C@@H]2C)cs1 ZINC000052505176 522151987 /nfs/dbraw/zinc/15/19/87/522151987.db2.gz HJMHUUAVITXCDQ-JTQLQIEISA-N 2 2 293.461 3.043 10 0 CGAELP CC[C@@H](C1CCCCC1)[N@@H+]1CC[NH2+][C@@H](CC)CC1 ZINC000052342461 522464811 /nfs/dbraw/zinc/46/48/11/522464811.db2.gz TXQDTIBAHZVSJP-HOTGVXAUSA-N 2 2 252.446 3.419 10 0 CGAELP CC[C@@H](C1CCCCC1)[N@H+]1CC[NH2+][C@@H](CC)CC1 ZINC000052342461 522464818 /nfs/dbraw/zinc/46/48/18/522464818.db2.gz TXQDTIBAHZVSJP-HOTGVXAUSA-N 2 2 252.446 3.419 10 0 CGAELP CCc1[nH+]c2ccccc2n1[C@H]1CCCCC[C@H]1[NH3+] ZINC000062807598 522505920 /nfs/dbraw/zinc/50/59/20/522505920.db2.gz WXFSPQFIIYLEQA-OCCSQVGLSA-N 2 2 257.381 3.431 10 0 CGAELP CC[C@@H](C[NH2+]C1CC1)[N@H+](CC)Cc1cccs1 ZINC000052546300 522545731 /nfs/dbraw/zinc/54/57/31/522545731.db2.gz RXKTYGFSUVYVOF-ZDUSSCGKSA-N 2 2 252.427 3.101 10 0 CGAELP CC[C@@H](C[NH2+]C1CC1)[N@@H+](CC)Cc1cccs1 ZINC000052546300 522545735 /nfs/dbraw/zinc/54/57/35/522545735.db2.gz RXKTYGFSUVYVOF-ZDUSSCGKSA-N 2 2 252.427 3.101 10 0 CGAELP CC[C@@]([NH3+])(Cc1[nH+]cc(C)c(OC)c1C)C(C)C ZINC000053760628 523684679 /nfs/dbraw/zinc/68/46/79/523684679.db2.gz VJDRBHUXONLMBE-OAHLLOKOSA-N 2 2 250.386 3.013 10 0 CGAELP CCCc1[nH+]c2ccccc2n1CC[C@H]1CCC[NH2+]C1 ZINC000129178850 346047835 /nfs/dbraw/zinc/04/78/35/346047835.db2.gz CZEQYBFEHASZAS-CQSZACIVSA-N 2 2 271.408 3.379 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H](c2ccccc2)C(C)C)C1 ZINC000389130508 346573004 /nfs/dbraw/zinc/57/30/04/346573004.db2.gz FBTYVOHNHLIFNU-SJORKVTESA-N 2 2 260.425 3.110 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@H](c2ccccc2)C(C)C)C1 ZINC000389130508 346573005 /nfs/dbraw/zinc/57/30/05/346573005.db2.gz FBTYVOHNHLIFNU-SJORKVTESA-N 2 2 260.425 3.110 10 0 CGAELP C[N@@H+]1CCC[C@H]1CC[NH+]1CC=C(c2ccccc2F)CC1 ZINC000127617903 138390219 /nfs/dbraw/zinc/39/02/19/138390219.db2.gz GHHPEKBDVOFGRR-INIZCTEOSA-N 2 2 288.410 3.399 10 0 CGAELP C[N@H+]1CCC[C@H]1CC[NH+]1CC=C(c2ccccc2F)CC1 ZINC000127617903 138390220 /nfs/dbraw/zinc/39/02/20/138390220.db2.gz GHHPEKBDVOFGRR-INIZCTEOSA-N 2 2 288.410 3.399 10 0 CGAELP C[NH+]1CCC[C@H]1CC[N@H+]1CC=C(c2ccccc2F)CC1 ZINC000127617903 138390221 /nfs/dbraw/zinc/39/02/21/138390221.db2.gz GHHPEKBDVOFGRR-INIZCTEOSA-N 2 2 288.410 3.399 10 0 CGAELP C[NH+]1CCC[C@H]1CC[N@@H+]1CC=C(c2ccccc2F)CC1 ZINC000127617903 138390222 /nfs/dbraw/zinc/39/02/22/138390222.db2.gz GHHPEKBDVOFGRR-INIZCTEOSA-N 2 2 288.410 3.399 10 0 CGAELP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC=C(c2ccccc2F)CC1 ZINC000127617671 138390287 /nfs/dbraw/zinc/39/02/87/138390287.db2.gz GHHPEKBDVOFGRR-MRXNPFEDSA-N 2 2 288.410 3.399 10 0 CGAELP C[N@H+]1CCC[C@@H]1CC[NH+]1CC=C(c2ccccc2F)CC1 ZINC000127617671 138390289 /nfs/dbraw/zinc/39/02/89/138390289.db2.gz GHHPEKBDVOFGRR-MRXNPFEDSA-N 2 2 288.410 3.399 10 0 CGAELP C[NH+]1CCC[C@@H]1CC[N@H+]1CC=C(c2ccccc2F)CC1 ZINC000127617671 138390290 /nfs/dbraw/zinc/39/02/90/138390290.db2.gz GHHPEKBDVOFGRR-MRXNPFEDSA-N 2 2 288.410 3.399 10 0 CGAELP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC=C(c2ccccc2F)CC1 ZINC000127617671 138390291 /nfs/dbraw/zinc/39/02/91/138390291.db2.gz GHHPEKBDVOFGRR-MRXNPFEDSA-N 2 2 288.410 3.399 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H]1CCc2ccc(F)cc21 ZINC000178332101 189107296 /nfs/dbraw/zinc/10/72/96/189107296.db2.gz VTSKMNGCCQSBAE-SJLPKXTDSA-N 2 2 299.393 3.483 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H]1CCc2ccc(F)cc21 ZINC000178332101 189107297 /nfs/dbraw/zinc/10/72/97/189107297.db2.gz VTSKMNGCCQSBAE-SJLPKXTDSA-N 2 2 299.393 3.483 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1 ZINC000178286333 189102577 /nfs/dbraw/zinc/10/25/77/189102577.db2.gz OOEUNLIFWBYQOM-KRWDZBQOSA-N 2 2 269.392 3.165 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccc(C)c1 ZINC000178286333 189102578 /nfs/dbraw/zinc/10/25/78/189102578.db2.gz OOEUNLIFWBYQOM-KRWDZBQOSA-N 2 2 269.392 3.165 10 0 CGAELP CCCOc1ccc([C@H](C[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000022854211 368812304 /nfs/dbraw/zinc/81/23/04/368812304.db2.gz IQRFLFUHRXUWGZ-DAYGRLMNSA-N 2 2 290.451 3.453 10 0 CGAELP CCCOc1ccc([C@H](C[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000022854211 368812308 /nfs/dbraw/zinc/81/23/08/368812308.db2.gz IQRFLFUHRXUWGZ-DAYGRLMNSA-N 2 2 290.451 3.453 10 0 CGAELP C[C@@H](CCc1ccccc1)[NH2+]CC1(Cn2cc[nH+]c2)CC1 ZINC000065434415 369675604 /nfs/dbraw/zinc/67/56/04/369675604.db2.gz FTOYQZYVSXPCCI-INIZCTEOSA-N 2 2 283.419 3.274 10 0 CGAELP Cc1cnc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)o1 ZINC000180670274 374032586 /nfs/dbraw/zinc/03/25/86/374032586.db2.gz YMAYHFLNLZGNAB-CYBMUJFWSA-N 2 2 282.347 3.020 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2OC(F)F)C1 ZINC000328364767 374363784 /nfs/dbraw/zinc/36/37/84/374363784.db2.gz QSWHCFFMSDHGPT-RYUDHWBXSA-N 2 2 284.350 3.033 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2OC(F)F)C1 ZINC000328364767 374363788 /nfs/dbraw/zinc/36/37/88/374363788.db2.gz QSWHCFFMSDHGPT-RYUDHWBXSA-N 2 2 284.350 3.033 10 0 CGAELP CC[C@H]([NH2+][C@H](C[NH+](C)C)c1ccccc1)[C@@H]1C[C@@H]1C ZINC000321173132 374353283 /nfs/dbraw/zinc/35/32/83/374353283.db2.gz YPPYYPVPWXOWSL-PQEBFOHHSA-N 2 2 260.425 3.314 10 0 CGAELP CCC(C)(C)C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000191828664 375666939 /nfs/dbraw/zinc/66/69/39/375666939.db2.gz HSOPBVWXDGIRAO-UHFFFAOYSA-N 2 2 275.440 3.072 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000336891757 376020460 /nfs/dbraw/zinc/02/04/60/376020460.db2.gz IWBCWMOFNHGMIF-BXUZGUMPSA-N 2 2 286.341 3.450 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000336891757 376020465 /nfs/dbraw/zinc/02/04/65/376020465.db2.gz IWBCWMOFNHGMIF-BXUZGUMPSA-N 2 2 286.341 3.450 10 0 CGAELP CC[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000249405021 377498543 /nfs/dbraw/zinc/49/85/43/377498543.db2.gz WZYKBMNWTTZRLT-OCCSQVGLSA-N 2 2 281.469 3.004 10 0 CGAELP CC[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000249405021 377498552 /nfs/dbraw/zinc/49/85/52/377498552.db2.gz WZYKBMNWTTZRLT-OCCSQVGLSA-N 2 2 281.469 3.004 10 0 CGAELP CC[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000249405021 377498559 /nfs/dbraw/zinc/49/85/59/377498559.db2.gz WZYKBMNWTTZRLT-OCCSQVGLSA-N 2 2 281.469 3.004 10 0 CGAELP CC[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000249405021 377498567 /nfs/dbraw/zinc/49/85/67/377498567.db2.gz WZYKBMNWTTZRLT-OCCSQVGLSA-N 2 2 281.469 3.004 10 0 CGAELP C[C@@H]1CCC[N@@H+]([C@H](C[NH3+])c2ccccc2Cl)C1 ZINC000252107137 377615762 /nfs/dbraw/zinc/61/57/62/377615762.db2.gz HFCXWGATMMXXMR-BXUZGUMPSA-N 2 2 252.789 3.072 10 0 CGAELP C[C@@H]1CCC[N@H+]([C@H](C[NH3+])c2ccccc2Cl)C1 ZINC000252107137 377615768 /nfs/dbraw/zinc/61/57/68/377615768.db2.gz HFCXWGATMMXXMR-BXUZGUMPSA-N 2 2 252.789 3.072 10 0 CGAELP C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)[C@@H]1CCC[NH2+]C1 ZINC000643452455 380308569 /nfs/dbraw/zinc/30/85/69/380308569.db2.gz SWKGDSYJIUGXQE-GRYCIOLGSA-N 2 2 268.351 3.004 10 0 CGAELP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1c(F)cccc1F ZINC000020129010 171015953 /nfs/dbraw/zinc/01/59/53/171015953.db2.gz MEWCYONBARMGLF-LBPRGKRZSA-N 2 2 268.351 3.101 10 0 CGAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)Cc2ccccc2C)cc1 ZINC000020225848 171090313 /nfs/dbraw/zinc/09/03/13/171090313.db2.gz MKKHYBPKLVEIEN-GOSISDBHSA-N 2 2 284.403 3.135 10 0 CGAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)Cc2ccccc2C)cc1 ZINC000020225848 171090318 /nfs/dbraw/zinc/09/03/18/171090318.db2.gz MKKHYBPKLVEIEN-GOSISDBHSA-N 2 2 284.403 3.135 10 0 CGAELP C[C@H](C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2)[NH+](C)C ZINC000038088580 174101690 /nfs/dbraw/zinc/10/16/90/174101690.db2.gz PUYJKZTYABVMQZ-RBABLOILSA-N 2 2 264.457 3.131 10 0 CGAELP CCCOc1ccc([C@@H](C[NH3+])[NH+]2CCCCCC2)cc1 ZINC000039795080 174173309 /nfs/dbraw/zinc/17/33/09/174173309.db2.gz IJLFYBXDSAIHBI-QGZVFWFLSA-N 2 2 276.424 3.351 10 0 CGAELP C[NH+](C)CCCn1c2ccccc2[nH+]c1C(C)(C)C ZINC000040389626 174252322 /nfs/dbraw/zinc/25/23/22/174252322.db2.gz XBCYCZBFZIXTPQ-UHFFFAOYSA-N 2 2 259.397 3.286 10 0 CGAELP C[NH2+]C[C@@H]1CCC[N@@H+]1CCOc1ccc(C(C)C)c(C)c1 ZINC000128382551 287309436 /nfs/dbraw/zinc/30/94/36/287309436.db2.gz PYCDPFSHQHQAGJ-INIZCTEOSA-N 2 2 290.451 3.181 10 0 CGAELP C[NH2+]C[C@@H]1CCC[N@H+]1CCOc1ccc(C(C)C)c(C)c1 ZINC000128382551 287309440 /nfs/dbraw/zinc/30/94/40/287309440.db2.gz PYCDPFSHQHQAGJ-INIZCTEOSA-N 2 2 290.451 3.181 10 0 CGAELP CC(C)Cc1ccc([C@@H](C)[N@H+](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000071309309 176116966 /nfs/dbraw/zinc/11/69/66/176116966.db2.gz ALYILUQQTIGCLE-RHSMWYFYSA-N 2 2 260.425 3.240 10 0 CGAELP CC(C)Cc1ccc([C@@H](C)[N@@H+](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000071309309 176116967 /nfs/dbraw/zinc/11/69/67/176116967.db2.gz ALYILUQQTIGCLE-RHSMWYFYSA-N 2 2 260.425 3.240 10 0 CGAELP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657303094 419246261 /nfs/dbraw/zinc/24/62/61/419246261.db2.gz ZYNCIYKGRKSFFX-MNOVXSKESA-N 2 2 287.329 3.040 10 0 CGAELP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000524771221 270115028 /nfs/dbraw/zinc/11/50/28/270115028.db2.gz ZEJZZEBTNBINCB-RBSFLKMASA-N 2 2 252.446 3.133 10 0 CGAELP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000524771221 270115029 /nfs/dbraw/zinc/11/50/29/270115029.db2.gz ZEJZZEBTNBINCB-RBSFLKMASA-N 2 2 252.446 3.133 10 0 CGAELP c1ccc([C@H]2CSCC[N@H+]2CCC[NH+]2CCCC2)cc1 ZINC000163029947 275068608 /nfs/dbraw/zinc/06/86/08/275068608.db2.gz MYVCVEUDKYKYRJ-QGZVFWFLSA-N 2 2 290.476 3.262 10 0 CGAELP c1ccc([C@H]2CSCC[N@@H+]2CCC[NH+]2CCCC2)cc1 ZINC000163029947 275068609 /nfs/dbraw/zinc/06/86/09/275068609.db2.gz MYVCVEUDKYKYRJ-QGZVFWFLSA-N 2 2 290.476 3.262 10 0 CGAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1cc2ccccc2o1 ZINC000396685744 288015407 /nfs/dbraw/zinc/01/54/07/288015407.db2.gz YAKBWYQYHXSRRD-SGMGOOAPSA-N 2 2 258.365 3.224 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](CCC(C)C)C2CC2)C1 ZINC000310688789 279295167 /nfs/dbraw/zinc/29/51/67/279295167.db2.gz WCYJRPOVLYZSPP-HZPDHXFCSA-N 2 2 252.446 3.275 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](CCC(C)C)C2CC2)C1 ZINC000310688789 279295170 /nfs/dbraw/zinc/29/51/70/279295170.db2.gz WCYJRPOVLYZSPP-HZPDHXFCSA-N 2 2 252.446 3.275 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000222437752 279323022 /nfs/dbraw/zinc/32/30/22/279323022.db2.gz SZPYQKPXZRBTAR-UPJWGTAASA-N 2 2 278.362 3.181 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000222437752 279323023 /nfs/dbraw/zinc/32/30/23/279323023.db2.gz SZPYQKPXZRBTAR-UPJWGTAASA-N 2 2 278.362 3.181 10 0 CGAELP CC(C)[NH2+]C[C@@H](C(C)C)[N@H+](Cc1ccco1)C1CC1 ZINC000052370781 519722652 /nfs/dbraw/zinc/72/26/52/519722652.db2.gz HFOVSPHNEVQUGV-INIZCTEOSA-N 2 2 264.413 3.267 10 0 CGAELP CC(C)[NH2+]C[C@@H](C(C)C)[N@@H+](Cc1ccco1)C1CC1 ZINC000052370781 519722654 /nfs/dbraw/zinc/72/26/54/519722654.db2.gz HFOVSPHNEVQUGV-INIZCTEOSA-N 2 2 264.413 3.267 10 0 CGAELP CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2cc(C)sc2C)C1 ZINC000049508937 520118265 /nfs/dbraw/zinc/11/82/65/520118265.db2.gz CCLIGQGEJCPULW-WCQYABFASA-N 2 2 252.427 3.110 10 0 CGAELP CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2cc(C)sc2C)C1 ZINC000049508937 520118267 /nfs/dbraw/zinc/11/82/67/520118267.db2.gz CCLIGQGEJCPULW-WCQYABFASA-N 2 2 252.427 3.110 10 0 CGAELP CCC(CC)(C[NH2+]C)Cc1[nH+]cc(C)c(OC)c1C ZINC000054658405 521440591 /nfs/dbraw/zinc/44/05/91/521440591.db2.gz BVTXUTAZVDTGTE-UHFFFAOYSA-N 2 2 264.413 3.275 10 0 CGAELP Cc1ccccc1C[N@@H+](C)[C@@H](C[NH2+]C(C)C)C(C)C ZINC000052547002 525130348 /nfs/dbraw/zinc/13/03/48/525130348.db2.gz BQZKKGURFHPAFM-KRWDZBQOSA-N 2 2 262.441 3.449 10 0 CGAELP Cc1ccccc1C[N@H+](C)[C@@H](C[NH2+]C(C)C)C(C)C ZINC000052547002 525130350 /nfs/dbraw/zinc/13/03/50/525130350.db2.gz BQZKKGURFHPAFM-KRWDZBQOSA-N 2 2 262.441 3.449 10 0 CGAELP Cc1cc([C@H](C[NH3+])[N@@H+](C)[C@@H](C)C(C)C)ccc1F ZINC000050546084 525536690 /nfs/dbraw/zinc/53/66/90/525536690.db2.gz KOYQJKRNSYDISB-WFASDCNBSA-N 2 2 252.377 3.110 10 0 CGAELP Cc1cc([C@H](C[NH3+])[N@H+](C)[C@@H](C)C(C)C)ccc1F ZINC000050546084 525536694 /nfs/dbraw/zinc/53/66/94/525536694.db2.gz KOYQJKRNSYDISB-WFASDCNBSA-N 2 2 252.377 3.110 10 0 CGAELP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(CC(C)C)cc1 ZINC000123592243 536458798 /nfs/dbraw/zinc/45/87/98/536458798.db2.gz QAYLVMRCAGIWRJ-KRWDZBQOSA-N 2 2 260.425 3.069 10 0 CGAELP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(CC(C)C)cc1 ZINC000123592243 536458800 /nfs/dbraw/zinc/45/88/00/536458800.db2.gz QAYLVMRCAGIWRJ-KRWDZBQOSA-N 2 2 260.425 3.069 10 0 CGAELP Cc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1C ZINC000188399432 542247731 /nfs/dbraw/zinc/24/77/31/542247731.db2.gz ZJJXLLUWESFCJZ-QGZVFWFLSA-N 2 2 269.392 3.165 10 0 CGAELP Cc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1C ZINC000188399432 542247735 /nfs/dbraw/zinc/24/77/35/542247735.db2.gz ZJJXLLUWESFCJZ-QGZVFWFLSA-N 2 2 269.392 3.165 10 0 CGAELP C[N@H+](CC1CCCC1)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000104436303 186000918 /nfs/dbraw/zinc/00/09/18/186000918.db2.gz CZTHQVHARKZGAK-OAHLLOKOSA-N 2 2 266.816 3.462 10 0 CGAELP C[N@@H+](CC1CCCC1)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000104436303 186000920 /nfs/dbraw/zinc/00/09/20/186000920.db2.gz CZTHQVHARKZGAK-OAHLLOKOSA-N 2 2 266.816 3.462 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCOc1ccccc1 ZINC000178286672 189103421 /nfs/dbraw/zinc/10/34/21/189103421.db2.gz QOZRBMLYTLUEFK-KRWDZBQOSA-N 2 2 299.418 3.125 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCOc1ccccc1 ZINC000178286672 189103422 /nfs/dbraw/zinc/10/34/22/189103422.db2.gz QOZRBMLYTLUEFK-KRWDZBQOSA-N 2 2 299.418 3.125 10 0 CGAELP CCc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](CC)C2)cc1 ZINC000040502410 369158210 /nfs/dbraw/zinc/15/82/10/369158210.db2.gz CVFMUASYPUGTEP-YOEHRIQHSA-N 2 2 260.425 3.384 10 0 CGAELP CCc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+](CC)C2)cc1 ZINC000040502410 369158212 /nfs/dbraw/zinc/15/82/12/369158212.db2.gz CVFMUASYPUGTEP-YOEHRIQHSA-N 2 2 260.425 3.384 10 0 CGAELP CC[C@H]([NH2+][C@H]1CCC[N@H+](CC)C1)c1ccc(OC)cc1 ZINC000040502309 369158323 /nfs/dbraw/zinc/15/83/23/369158323.db2.gz XCAVGJKKFOQTTL-RDJZCZTQSA-N 2 2 276.424 3.220 10 0 CGAELP CC[C@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)c1ccc(OC)cc1 ZINC000040502309 369158325 /nfs/dbraw/zinc/15/83/25/369158325.db2.gz XCAVGJKKFOQTTL-RDJZCZTQSA-N 2 2 276.424 3.220 10 0 CGAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)CC(C)(C)C1 ZINC000044685013 369265182 /nfs/dbraw/zinc/26/51/82/369265182.db2.gz AHZOBBCCLAFFNT-MGPQQGTHSA-N 2 2 250.430 3.028 10 0 CGAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)CC(C)(C)C1 ZINC000044685013 369265183 /nfs/dbraw/zinc/26/51/83/369265183.db2.gz AHZOBBCCLAFFNT-MGPQQGTHSA-N 2 2 250.430 3.028 10 0 CGAELP C[C@H](CC(F)(F)F)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000065451474 369676067 /nfs/dbraw/zinc/67/60/67/369676067.db2.gz PMUNYRHRNBQYEK-LLVKDONJSA-N 2 2 283.297 3.303 10 0 CGAELP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(F)c(Cl)c1 ZINC000112342747 370422131 /nfs/dbraw/zinc/42/21/31/370422131.db2.gz WBLNPRGERPGRLW-MRVPVSSYSA-N 2 2 253.708 3.053 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCCN(c2cc[nH+]cc2Cl)C1 ZINC000176924610 373640959 /nfs/dbraw/zinc/64/09/59/373640959.db2.gz BWTDFPUQZLZTHQ-GFCCVEGCSA-N 2 2 290.798 3.335 10 0 CGAELP C[C@@H](CCCC[NH3+])Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000310931273 374229407 /nfs/dbraw/zinc/22/94/07/374229407.db2.gz FFKYFGXBVWJECU-VIFPVBQESA-N 2 2 261.291 3.030 10 0 CGAELP CC(C)CC[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000236723410 376685880 /nfs/dbraw/zinc/68/58/80/376685880.db2.gz XUXDADREPYXIFK-UHFFFAOYSA-N 2 2 278.415 3.426 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)[C@H](C)c2ccc(OC)cc2)C1 ZINC000246923545 377119237 /nfs/dbraw/zinc/11/92/37/377119237.db2.gz GVIBFLOLQRAOLS-UXLLHSPISA-N 2 2 290.451 3.261 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)[C@H](C)c2ccc(OC)cc2)C1 ZINC000246923545 377119239 /nfs/dbraw/zinc/11/92/39/377119239.db2.gz GVIBFLOLQRAOLS-UXLLHSPISA-N 2 2 290.451 3.261 10 0 CGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C(C1CC1)C1CC1 ZINC000247175772 377172643 /nfs/dbraw/zinc/17/26/43/377172643.db2.gz YVLIVBMEDSLOCG-RDTXWAMCSA-N 2 2 299.462 3.070 10 0 CGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C(C1CC1)C1CC1 ZINC000247175772 377172652 /nfs/dbraw/zinc/17/26/52/377172652.db2.gz YVLIVBMEDSLOCG-RDTXWAMCSA-N 2 2 299.462 3.070 10 0 CGAELP CC[C@H]([NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C)c1ccc(OC)cc1 ZINC000248033689 377261297 /nfs/dbraw/zinc/26/12/97/377261297.db2.gz RBTJBNGCYBMVEG-JLSDUUJJSA-N 2 2 290.451 3.465 10 0 CGAELP CC[C@H]([NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C)c1ccc(OC)cc1 ZINC000248033689 377261301 /nfs/dbraw/zinc/26/13/01/377261301.db2.gz RBTJBNGCYBMVEG-JLSDUUJJSA-N 2 2 290.451 3.465 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCSc3ccccc32)C1 ZINC000249614921 377518386 /nfs/dbraw/zinc/51/83/86/377518386.db2.gz SXRGXKTZQSKOEK-ZFWWWQNUSA-N 2 2 276.449 3.297 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCSc3ccccc32)C1 ZINC000249614921 377518395 /nfs/dbraw/zinc/51/83/95/377518395.db2.gz SXRGXKTZQSKOEK-ZFWWWQNUSA-N 2 2 276.449 3.297 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCC23CCCCC3)C1 ZINC000313008408 285377186 /nfs/dbraw/zinc/37/71/86/285377186.db2.gz NWSZSDCQIXDUHG-HUUCEWRRSA-N 2 2 250.430 3.173 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCC23CCCCC3)C1 ZINC000313008408 285377187 /nfs/dbraw/zinc/37/71/87/285377187.db2.gz NWSZSDCQIXDUHG-HUUCEWRRSA-N 2 2 250.430 3.173 10 0 CGAELP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cc(F)ccc1F ZINC000678738560 543552131 /nfs/dbraw/zinc/55/21/31/543552131.db2.gz FIJGPTDOHIJMAB-WCQYABFASA-N 2 2 268.351 3.100 10 0 CGAELP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cc(F)ccc1F ZINC000678738560 543552133 /nfs/dbraw/zinc/55/21/33/543552133.db2.gz FIJGPTDOHIJMAB-WCQYABFASA-N 2 2 268.351 3.100 10 0 CGAELP C[C@H]1C[C@H]1c1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)o1 ZINC000019905733 170917393 /nfs/dbraw/zinc/91/73/93/170917393.db2.gz ZAEPLSKZAWLARU-GXTWGEPZSA-N 2 2 264.413 3.080 10 0 CGAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1c(F)cccc1Cl ZINC000035570515 172265996 /nfs/dbraw/zinc/26/59/96/172265996.db2.gz VPPDTCGYAPCSCN-NSHDSACASA-N 2 2 267.735 3.096 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000657496835 419294688 /nfs/dbraw/zinc/29/46/88/419294688.db2.gz RRMMQMZCDZFGQS-UYSNPLJNSA-N 2 2 250.430 3.029 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000657496835 419294691 /nfs/dbraw/zinc/29/46/91/419294691.db2.gz RRMMQMZCDZFGQS-UYSNPLJNSA-N 2 2 250.430 3.029 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000657496833 419294769 /nfs/dbraw/zinc/29/47/69/419294769.db2.gz RRMMQMZCDZFGQS-GPANFISMSA-N 2 2 250.430 3.029 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000657496833 419294771 /nfs/dbraw/zinc/29/47/71/419294771.db2.gz RRMMQMZCDZFGQS-GPANFISMSA-N 2 2 250.430 3.029 10 0 CGAELP CCCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000222697068 270086105 /nfs/dbraw/zinc/08/61/05/270086105.db2.gz WKGKMWOHWFQRLC-RHSMWYFYSA-N 2 2 260.425 3.384 10 0 CGAELP CCCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000222697068 270086106 /nfs/dbraw/zinc/08/61/06/270086106.db2.gz WKGKMWOHWFQRLC-RHSMWYFYSA-N 2 2 260.425 3.384 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)c2cc(C)cc(C)c2)C1 ZINC000250372328 270091389 /nfs/dbraw/zinc/09/13/89/270091389.db2.gz VWHSFZOQFDYOLY-NVXWUHKLSA-N 2 2 260.425 3.438 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)c2cc(C)cc(C)c2)C1 ZINC000250372328 270091390 /nfs/dbraw/zinc/09/13/90/270091390.db2.gz VWHSFZOQFDYOLY-NVXWUHKLSA-N 2 2 260.425 3.438 10 0 CGAELP COc1ccc2c(c1)[C@H]([NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C)CC2 ZINC000181281877 274139087 /nfs/dbraw/zinc/13/90/87/274139087.db2.gz AQZGHQRPNRFNLH-VHSSKADRSA-N 2 2 288.435 3.001 10 0 CGAELP COc1ccc2c(c1)[C@H]([NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C)CC2 ZINC000181281877 274139089 /nfs/dbraw/zinc/13/90/89/274139089.db2.gz AQZGHQRPNRFNLH-VHSSKADRSA-N 2 2 288.435 3.001 10 0 CGAELP CCC[NH2+]C[C@H](C(C)C)[N@@H+]1CCc2sccc2C1 ZINC000052382838 519930437 /nfs/dbraw/zinc/93/04/37/519930437.db2.gz BDPJRSNMLKNONX-CQSZACIVSA-N 2 2 266.454 3.130 10 0 CGAELP CCC[NH2+]C[C@H](C(C)C)[N@H+]1CCc2sccc2C1 ZINC000052382838 519930463 /nfs/dbraw/zinc/93/04/63/519930463.db2.gz BDPJRSNMLKNONX-CQSZACIVSA-N 2 2 266.454 3.130 10 0 CGAELP CC(C)C[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1F ZINC000052541504 519744156 /nfs/dbraw/zinc/74/41/56/519744156.db2.gz VJGQDKISOOHJNO-AWEZNQCLSA-N 2 2 266.404 3.282 10 0 CGAELP CC(C)C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1F ZINC000052541504 519744159 /nfs/dbraw/zinc/74/41/59/519744159.db2.gz VJGQDKISOOHJNO-AWEZNQCLSA-N 2 2 266.404 3.282 10 0 CGAELP CC(C)[C@@H](C[NH2+]C1CC1)[N@H+](C)C1CCC(C)CC1 ZINC000052345301 519794802 /nfs/dbraw/zinc/79/48/02/519794802.db2.gz ULJZLJKFEGEZGQ-AVVWSFFYSA-N 2 2 252.446 3.274 10 0 CGAELP CC(C)[C@@H](C[NH2+]C1CC1)[N@@H+](C)C1CCC(C)CC1 ZINC000052345301 519794803 /nfs/dbraw/zinc/79/48/03/519794803.db2.gz ULJZLJKFEGEZGQ-AVVWSFFYSA-N 2 2 252.446 3.274 10 0 CGAELP CC(C)[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCC[NH2+]1 ZINC000062663564 519827031 /nfs/dbraw/zinc/82/70/31/519827031.db2.gz QIOGIFDQMFWCRN-OAHLLOKOSA-N 2 2 266.816 3.160 10 0 CGAELP CC(C)[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCC[NH2+]1 ZINC000062663564 519827032 /nfs/dbraw/zinc/82/70/32/519827032.db2.gz QIOGIFDQMFWCRN-OAHLLOKOSA-N 2 2 266.816 3.160 10 0 CGAELP CCC[NH2+][C@@H]1CC[N@@H+]([C@@H](CC)C2CCCCC2)C1 ZINC000052340444 520024272 /nfs/dbraw/zinc/02/42/72/520024272.db2.gz FBWJOBSYCUOEHU-CVEARBPZSA-N 2 2 252.446 3.419 10 0 CGAELP CCC[NH2+][C@@H]1CC[N@H+]([C@@H](CC)C2CCCCC2)C1 ZINC000052340444 520024277 /nfs/dbraw/zinc/02/42/77/520024277.db2.gz FBWJOBSYCUOEHU-CVEARBPZSA-N 2 2 252.446 3.419 10 0 CGAELP CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1[N@H+](C)CC(C)C ZINC000054554936 520120132 /nfs/dbraw/zinc/12/01/32/520120132.db2.gz YKPKFYMGFZVWIN-OAGGEKHMSA-N 2 2 254.462 3.377 10 0 CGAELP CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1[N@@H+](C)CC(C)C ZINC000054554936 520120137 /nfs/dbraw/zinc/12/01/37/520120137.db2.gz YKPKFYMGFZVWIN-OAGGEKHMSA-N 2 2 254.462 3.377 10 0 CGAELP CCc1[nH+]c2ccccc2n1[C@@H]1CCCC[C@H]1C[NH3+] ZINC000062807347 522506297 /nfs/dbraw/zinc/50/62/97/522506297.db2.gz TZVPHLPQMKUKAH-GXTWGEPZSA-N 2 2 257.381 3.289 10 0 CGAELP CCc1[nH+]c2ccccc2n1[C@H]1CCCC[C@@H]1C[NH3+] ZINC000062807346 522507444 /nfs/dbraw/zinc/50/74/44/522507444.db2.gz TZVPHLPQMKUKAH-OCCSQVGLSA-N 2 2 257.381 3.289 10 0 CGAELP C[C@@H]1CCC[C@@H]([N@@H+]2CCC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC000062673069 524301292 /nfs/dbraw/zinc/30/12/92/524301292.db2.gz AXTZPBOTFVQPIE-BHIYHBOVSA-N 2 2 286.463 3.472 10 0 CGAELP C[C@@H]1CCC[C@@H]([N@H+]2CCC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC000062673069 524301297 /nfs/dbraw/zinc/30/12/97/524301297.db2.gz AXTZPBOTFVQPIE-BHIYHBOVSA-N 2 2 286.463 3.472 10 0 CGAELP C[C@H]([NH3+])Cc1[nH+]ccn1Cc1c(Cl)cccc1Cl ZINC000062802761 524835931 /nfs/dbraw/zinc/83/59/31/524835931.db2.gz ZXKNCDRXLSJVCU-VIFPVBQESA-N 2 2 284.190 3.128 10 0 CGAELP Cc1cc([C@H](C[NH3+])[N@@H+](C)CCC(C)C)ccc1F ZINC000050546281 525536579 /nfs/dbraw/zinc/53/65/79/525536579.db2.gz XQMRCICXHKYHEM-HNNXBMFYSA-N 2 2 252.377 3.112 10 0 CGAELP Cc1cc([C@H](C[NH3+])[N@H+](C)CCC(C)C)ccc1F ZINC000050546281 525536582 /nfs/dbraw/zinc/53/65/82/525536582.db2.gz XQMRCICXHKYHEM-HNNXBMFYSA-N 2 2 252.377 3.112 10 0 CGAELP Cn1c(CCC2CC[NH2+]CC2)[nH+]c2cccc(Cl)c21 ZINC000050926971 527046673 /nfs/dbraw/zinc/04/66/73/527046673.db2.gz YUNJBDVRSVOXEH-UHFFFAOYSA-N 2 2 277.799 3.159 10 0 CGAELP Cc1cc2ccccc2[nH+]c1N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000131037758 346062594 /nfs/dbraw/zinc/06/25/94/346062594.db2.gz IAODJBOPUULVFN-XHSDSOJGSA-N 2 2 281.403 3.107 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC000040502549 369158134 /nfs/dbraw/zinc/15/81/34/369158134.db2.gz GXTWHXFSZHIVPV-KSSFIOAISA-N 2 2 272.436 3.310 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC000040502549 369158139 /nfs/dbraw/zinc/15/81/39/369158139.db2.gz GXTWHXFSZHIVPV-KSSFIOAISA-N 2 2 272.436 3.310 10 0 CGAELP Cc1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)s1 ZINC000092812544 370103480 /nfs/dbraw/zinc/10/34/80/370103480.db2.gz AWPLGJAJJXBDMU-CQSZACIVSA-N 2 2 287.432 3.386 10 0 CGAELP Cc1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)s1 ZINC000092812544 370103483 /nfs/dbraw/zinc/10/34/83/370103483.db2.gz AWPLGJAJJXBDMU-CQSZACIVSA-N 2 2 287.432 3.386 10 0 CGAELP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc2ccccc2c1 ZINC000112337915 370420040 /nfs/dbraw/zinc/42/00/40/370420040.db2.gz MACFJLVZWRQISQ-GFCCVEGCSA-N 2 2 251.333 3.414 10 0 CGAELP CC(C)[C@@H]([NH3+])CCN(C)c1ccc2ccccc2[nH+]1 ZINC000133596845 371265480 /nfs/dbraw/zinc/26/54/80/371265480.db2.gz RGNGDHIBNPZBRS-AWEZNQCLSA-N 2 2 257.381 3.044 10 0 CGAELP c1coc([C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000177187906 373660265 /nfs/dbraw/zinc/66/02/65/373660265.db2.gz QCMSIRSSYNTOOB-HNNXBMFYSA-N 2 2 294.358 3.197 10 0 CGAELP c1coc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000177187906 373660269 /nfs/dbraw/zinc/66/02/69/373660269.db2.gz QCMSIRSSYNTOOB-HNNXBMFYSA-N 2 2 294.358 3.197 10 0 CGAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccoc1 ZINC000178404589 373774919 /nfs/dbraw/zinc/77/49/19/373774919.db2.gz SODJQMNYHDPTCC-MPGHIAIKSA-N 2 2 299.418 3.236 10 0 CGAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccoc1 ZINC000178404589 373774926 /nfs/dbraw/zinc/77/49/26/373774926.db2.gz SODJQMNYHDPTCC-MPGHIAIKSA-N 2 2 299.418 3.236 10 0 CGAELP CC(C)OC1CC([NH2+][C@@H](C)C[N@H+](C)Cc2ccccc2)C1 ZINC000189556971 375411313 /nfs/dbraw/zinc/41/13/13/375411313.db2.gz FCUKBMOYANCEBX-ZLPCBKJTSA-N 2 2 290.451 3.053 10 0 CGAELP CC(C)OC1CC([NH2+][C@@H](C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000189556971 375411318 /nfs/dbraw/zinc/41/13/18/375411318.db2.gz FCUKBMOYANCEBX-ZLPCBKJTSA-N 2 2 290.451 3.053 10 0 CGAELP CC(C)[NH2+]CC[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000191563426 375640028 /nfs/dbraw/zinc/64/00/28/375640028.db2.gz JBUKALCWYDNVRX-CQSZACIVSA-N 2 2 287.407 3.005 10 0 CGAELP CC(C)[NH2+]CC[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000191563426 375640033 /nfs/dbraw/zinc/64/00/33/375640033.db2.gz JBUKALCWYDNVRX-CQSZACIVSA-N 2 2 287.407 3.005 10 0 CGAELP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000221150221 376212407 /nfs/dbraw/zinc/21/24/07/376212407.db2.gz ZZDCIMFZFLZAQV-QXSJWSMHSA-N 2 2 252.446 3.131 10 0 CGAELP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000221150221 376212418 /nfs/dbraw/zinc/21/24/18/376212418.db2.gz ZZDCIMFZFLZAQV-QXSJWSMHSA-N 2 2 252.446 3.131 10 0 CGAELP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]4CCC[C@H]43)cn2)c[nH+]1 ZINC000246411461 377026265 /nfs/dbraw/zinc/02/62/65/377026265.db2.gz RJIYZGSTQKJOTD-JKSUJKDBSA-N 2 2 282.391 3.032 10 0 CGAELP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]4CCC[C@H]43)cn2)c[nH+]1 ZINC000246411461 377026267 /nfs/dbraw/zinc/02/62/67/377026267.db2.gz RJIYZGSTQKJOTD-JKSUJKDBSA-N 2 2 282.391 3.032 10 0 CGAELP Cc1cc(F)ccc1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247287495 377190886 /nfs/dbraw/zinc/19/08/86/377190886.db2.gz YYAWSFJISFZNHV-GUYCJALGSA-N 2 2 287.382 3.414 10 0 CGAELP Cc1cc(F)ccc1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247287495 377190893 /nfs/dbraw/zinc/19/08/93/377190893.db2.gz YYAWSFJISFZNHV-GUYCJALGSA-N 2 2 287.382 3.414 10 0 CGAELP COc1ccc(CC[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000247691494 377233124 /nfs/dbraw/zinc/23/31/24/377233124.db2.gz SRTZUBUMSYTZEE-MAUKXSAKSA-N 2 2 299.418 3.017 10 0 CGAELP COc1ccc(CC[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000247691494 377233134 /nfs/dbraw/zinc/23/31/34/377233134.db2.gz SRTZUBUMSYTZEE-MAUKXSAKSA-N 2 2 299.418 3.017 10 0 CGAELP Cc1ccc2cc(C[NH2+][C@H]3C[N@H+](C(C)C)C[C@H]3C)ccc2n1 ZINC000249092010 377461752 /nfs/dbraw/zinc/46/17/52/377461752.db2.gz DMKUWLYUFFBPKI-KUHUBIRLSA-N 2 2 297.446 3.362 10 0 CGAELP Cc1ccc2cc(C[NH2+][C@H]3C[N@@H+](C(C)C)C[C@H]3C)ccc2n1 ZINC000249092010 377461756 /nfs/dbraw/zinc/46/17/56/377461756.db2.gz DMKUWLYUFFBPKI-KUHUBIRLSA-N 2 2 297.446 3.362 10 0 CGAELP CC[C@H]([NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccccc1 ZINC000151847766 392486524 /nfs/dbraw/zinc/48/65/24/392486524.db2.gz JYURYJFCDCSJSE-XIRDDKMYSA-N 2 2 260.425 3.456 10 0 CGAELP CC[C@H]([NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C)c1ccccc1 ZINC000151847766 392486531 /nfs/dbraw/zinc/48/65/31/392486531.db2.gz JYURYJFCDCSJSE-XIRDDKMYSA-N 2 2 260.425 3.456 10 0 CGAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000648494022 393065077 /nfs/dbraw/zinc/06/50/77/393065077.db2.gz KHDQFQPOCAKBRH-LISAXSMJSA-N 2 2 290.451 3.053 10 0 CGAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000648494022 393065084 /nfs/dbraw/zinc/06/50/84/393065084.db2.gz KHDQFQPOCAKBRH-LISAXSMJSA-N 2 2 290.451 3.053 10 0 CGAELP CCCOc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000675789012 543365224 /nfs/dbraw/zinc/36/52/24/543365224.db2.gz QJDGNYBBXUTTNN-GRDNDAEWSA-N 2 2 276.424 3.076 10 0 CGAELP CCCOc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000675789012 543365226 /nfs/dbraw/zinc/36/52/26/543365226.db2.gz QJDGNYBBXUTTNN-GRDNDAEWSA-N 2 2 276.424 3.076 10 0 CGAELP Cc1ccccc1[C@@H](C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000020225422 171088260 /nfs/dbraw/zinc/08/82/60/171088260.db2.gz ABZGUABUKNWOAU-GOSISDBHSA-N 2 2 266.388 3.053 10 0 CGAELP Cc1ccccc1[C@@H](C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000020225422 171088262 /nfs/dbraw/zinc/08/82/62/171088262.db2.gz ABZGUABUKNWOAU-GOSISDBHSA-N 2 2 266.388 3.053 10 0 CGAELP CC(C)Oc1cccc([C@H](C[NH3+])[N@H+](C)CC(C)(C)C)c1 ZINC000020226653 171091070 /nfs/dbraw/zinc/09/10/70/171091070.db2.gz BOIKCXLGEOQVCS-INIZCTEOSA-N 2 2 278.440 3.452 10 0 CGAELP CC(C)Oc1cccc([C@H](C[NH3+])[N@@H+](C)CC(C)(C)C)c1 ZINC000020226653 171091071 /nfs/dbraw/zinc/09/10/71/171091071.db2.gz BOIKCXLGEOQVCS-INIZCTEOSA-N 2 2 278.440 3.452 10 0 CGAELP CCC(C)(C)C1CCC(C[NH3+])([NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000021012918 171288510 /nfs/dbraw/zinc/28/85/10/171288510.db2.gz MJXQYJNLEZAMQM-RSIVFMTNSA-N 2 2 296.499 3.420 10 0 CGAELP COc1ccc2cc([C@@H](C[NH3+])[NH+]3CCCCC3)ccc2c1 ZINC000022211422 171373615 /nfs/dbraw/zinc/37/36/15/171373615.db2.gz XTECAPWRUJLTJU-GOSISDBHSA-N 2 2 284.403 3.334 10 0 CGAELP CC[N@H+]([C@H](C[NH3+])c1ccccc1OC)C1CCCCC1 ZINC000022222079 171378950 /nfs/dbraw/zinc/37/89/50/171378950.db2.gz DGGBYEDOOBUVQM-MRXNPFEDSA-N 2 2 276.424 3.350 10 0 CGAELP CC[N@@H+]([C@H](C[NH3+])c1ccccc1OC)C1CCCCC1 ZINC000022222079 171378951 /nfs/dbraw/zinc/37/89/51/171378951.db2.gz DGGBYEDOOBUVQM-MRXNPFEDSA-N 2 2 276.424 3.350 10 0 CGAELP CCC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cc2c(s1)CCC2 ZINC000035586285 172285598 /nfs/dbraw/zinc/28/55/98/172285598.db2.gz HZTHWBOUNVTEEO-LBPRGKRZSA-N 2 2 275.421 3.243 10 0 CGAELP Cc1ccc([C@H]([NH3+])C[N@@H+](C)Cc2ccccc2)cc1 ZINC000038137744 174133914 /nfs/dbraw/zinc/13/39/14/174133914.db2.gz TVBICFGSJSWLBL-QGZVFWFLSA-N 2 2 254.377 3.127 10 0 CGAELP Cc1ccc([C@H]([NH3+])C[N@H+](C)Cc2ccccc2)cc1 ZINC000038137744 174133916 /nfs/dbraw/zinc/13/39/16/174133916.db2.gz TVBICFGSJSWLBL-QGZVFWFLSA-N 2 2 254.377 3.127 10 0 CGAELP CC(C)(C)c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000128237550 287306515 /nfs/dbraw/zinc/30/65/15/287306515.db2.gz BUUZJGMVNKJQDD-SJORKVTESA-N 2 2 272.436 3.310 10 0 CGAELP CC(C)(C)c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000128237550 287306521 /nfs/dbraw/zinc/30/65/21/287306521.db2.gz BUUZJGMVNKJQDD-SJORKVTESA-N 2 2 272.436 3.310 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C1CC(c2ccccc2)C1 ZINC000037167226 270028935 /nfs/dbraw/zinc/02/89/35/270028935.db2.gz UUNUWLODKNRROD-DAWZGUTISA-N 2 2 274.452 3.499 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)c2cc(C)cc(C)c2)C1 ZINC000250372329 270091376 /nfs/dbraw/zinc/09/13/76/270091376.db2.gz VWHSFZOQFDYOLY-WBVHZDCISA-N 2 2 260.425 3.438 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)c2cc(C)cc(C)c2)C1 ZINC000250372329 270091377 /nfs/dbraw/zinc/09/13/77/270091377.db2.gz VWHSFZOQFDYOLY-WBVHZDCISA-N 2 2 260.425 3.438 10 0 CGAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1cccc(Br)c1 ZINC000396636418 288014666 /nfs/dbraw/zinc/01/46/66/288014666.db2.gz NRVNHCUWBFBPGG-WDMOLILDSA-N 2 2 297.240 3.240 10 0 CGAELP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000037213858 279336270 /nfs/dbraw/zinc/33/62/70/279336270.db2.gz PAKCVKHWLBUQPM-FUHWJXTLSA-N 2 2 288.435 3.220 10 0 CGAELP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000037213858 279336271 /nfs/dbraw/zinc/33/62/71/279336271.db2.gz PAKCVKHWLBUQPM-FUHWJXTLSA-N 2 2 288.435 3.220 10 0 CGAELP CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1[N@H+](C)CC1CC1 ZINC000054555227 520218082 /nfs/dbraw/zinc/21/80/82/520218082.db2.gz FXUZOZMOOUNZJI-PMPSAXMXSA-N 2 2 252.446 3.131 10 0 CGAELP CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1[N@@H+](C)CC1CC1 ZINC000054555227 520218088 /nfs/dbraw/zinc/21/80/88/520218088.db2.gz FXUZOZMOOUNZJI-PMPSAXMXSA-N 2 2 252.446 3.131 10 0 CGAELP CC(C)C[NH2+]C[C@H](C(C)C)[N@H+](C)Cc1ccccc1 ZINC000052417377 519745677 /nfs/dbraw/zinc/74/56/77/519745677.db2.gz KZBFLUKXDJNQES-QGZVFWFLSA-N 2 2 262.441 3.389 10 0 CGAELP CC(C)C[NH2+]C[C@H](C(C)C)[N@@H+](C)Cc1ccccc1 ZINC000052417377 519745678 /nfs/dbraw/zinc/74/56/78/519745678.db2.gz KZBFLUKXDJNQES-QGZVFWFLSA-N 2 2 262.441 3.389 10 0 CGAELP CC(C)[C@@H](C[NH2+]C1CC1)[N@H+](Cc1ccsc1)C1CC1 ZINC000052541898 519794902 /nfs/dbraw/zinc/79/49/02/519794902.db2.gz KMQWPCASUKUSRL-MRXNPFEDSA-N 2 2 278.465 3.489 10 0 CGAELP CC(C)[C@@H](C[NH2+]C1CC1)[N@@H+](Cc1ccsc1)C1CC1 ZINC000052541898 519794903 /nfs/dbraw/zinc/79/49/03/519794903.db2.gz KMQWPCASUKUSRL-MRXNPFEDSA-N 2 2 278.465 3.489 10 0 CGAELP CC(C)[C@@H]1CC[C@H]([NH3+])[C@H]([N@@H+]2CC[C@@H](C)C[C@H]2C)C1 ZINC000054555757 519803302 /nfs/dbraw/zinc/80/33/02/519803302.db2.gz IVNHDQHLNQWJPQ-DGXTUMSLSA-N 2 2 252.446 3.259 10 0 CGAELP CC(C)[C@@H]1CC[C@H]([NH3+])[C@H]([N@H+]2CC[C@@H](C)C[C@H]2C)C1 ZINC000054555757 519803303 /nfs/dbraw/zinc/80/33/03/519803303.db2.gz IVNHDQHLNQWJPQ-DGXTUMSLSA-N 2 2 252.446 3.259 10 0 CGAELP CCCC1CC[NH+]([C@H](C[NH3+])c2cccs2)CC1 ZINC000050892997 519903130 /nfs/dbraw/zinc/90/31/30/519903130.db2.gz HFRACOFFCFWOAX-CYBMUJFWSA-N 2 2 252.427 3.260 10 0 CGAELP CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1[N@H+](C)CC(C)C ZINC000054554934 520122413 /nfs/dbraw/zinc/12/24/13/520122413.db2.gz YKPKFYMGFZVWIN-XHSDSOJGSA-N 2 2 254.462 3.377 10 0 CGAELP CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1[N@@H+](C)CC(C)C ZINC000054554934 520122422 /nfs/dbraw/zinc/12/24/22/520122422.db2.gz YKPKFYMGFZVWIN-XHSDSOJGSA-N 2 2 254.462 3.377 10 0 CGAELP C[NH2+]C[C@H](C(C)C)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000052346263 522064698 /nfs/dbraw/zinc/06/46/98/522064698.db2.gz PWRIJYRLTZIFKR-CQSZACIVSA-N 2 2 254.805 3.016 10 0 CGAELP C[NH2+]C[C@H](C(C)C)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000052346263 522064701 /nfs/dbraw/zinc/06/47/01/522064701.db2.gz PWRIJYRLTZIFKR-CQSZACIVSA-N 2 2 254.805 3.016 10 0 CGAELP CC[C@@H]1CC[C@H]([NH2+]C)[C@H]([N@@H+]2CCC[C@H](C)[C@@H]2C)C1 ZINC000050564304 523368637 /nfs/dbraw/zinc/36/86/37/523368637.db2.gz OBKKLTDHMNPJEA-ARKGTOAJSA-N 2 2 252.446 3.274 10 0 CGAELP CC[C@@H]1CC[C@H]([NH2+]C)[C@H]([N@H+]2CCC[C@H](C)[C@@H]2C)C1 ZINC000050564304 523368645 /nfs/dbraw/zinc/36/86/45/523368645.db2.gz OBKKLTDHMNPJEA-ARKGTOAJSA-N 2 2 252.446 3.274 10 0 CGAELP Cc1cc([C@@H](C[NH3+])[N@H+](C)CC(C)(C)C)ccc1F ZINC000050558601 525480905 /nfs/dbraw/zinc/48/09/05/525480905.db2.gz FONFUPJYKZQFSP-CQSZACIVSA-N 2 2 252.377 3.112 10 0 CGAELP Cc1cc([C@@H](C[NH3+])[N@@H+](C)CC(C)(C)C)ccc1F ZINC000050558601 525480916 /nfs/dbraw/zinc/48/09/16/525480916.db2.gz FONFUPJYKZQFSP-CQSZACIVSA-N 2 2 252.377 3.112 10 0 CGAELP C[C@@H]([C@H]([NH3+])c1ccccc1)[NH+]1Cc2ccccc2C1 ZINC000050911007 526022965 /nfs/dbraw/zinc/02/29/65/526022965.db2.gz HWEZKSGZIPKPRT-GUYCJALGSA-N 2 2 252.361 3.091 10 0 CGAELP Cc1ccc([C@@H]2[C@H]([NH3+])CC[N@@H+]2Cc2ccccc2)cc1 ZINC000096947860 185137753 /nfs/dbraw/zinc/13/77/53/185137753.db2.gz BXJMGLNFVJVTDD-QZTJIDSGSA-N 2 2 266.388 3.269 10 0 CGAELP Cc1ccc([C@@H]2[C@H]([NH3+])CC[N@H+]2Cc2ccccc2)cc1 ZINC000096947860 185137754 /nfs/dbraw/zinc/13/77/54/185137754.db2.gz BXJMGLNFVJVTDD-QZTJIDSGSA-N 2 2 266.388 3.269 10 0 CGAELP Cc1cc2ccccc2[nH+]c1N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000111716049 345951034 /nfs/dbraw/zinc/95/10/34/345951034.db2.gz XRQOOUSITCQBDA-HIFRSBDPSA-N 2 2 269.392 3.107 10 0 CGAELP Cc1cc[nH+]cc1N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000307398127 346462195 /nfs/dbraw/zinc/46/21/95/346462195.db2.gz XUHIIMICZOLEBA-NVXWUHKLSA-N 2 2 281.403 3.465 10 0 CGAELP Cc1cc[nH+]cc1N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000307398127 346462196 /nfs/dbraw/zinc/46/21/96/346462196.db2.gz XUHIIMICZOLEBA-NVXWUHKLSA-N 2 2 281.403 3.465 10 0 CGAELP c1cn([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)c[nH+]1 ZINC000616629262 348851597 /nfs/dbraw/zinc/85/15/97/348851597.db2.gz NOSBBCHLPNSYDH-INIZCTEOSA-N 2 2 255.365 3.110 10 0 CGAELP c1cn([C@H]2CCC[N@H+](Cc3ccccc3)CC2)c[nH+]1 ZINC000616629262 348851598 /nfs/dbraw/zinc/85/15/98/348851598.db2.gz NOSBBCHLPNSYDH-INIZCTEOSA-N 2 2 255.365 3.110 10 0 CGAELP Cc1ccc([C@H](C)[NH2+]Cc2cccc3[nH+]ccn32)o1 ZINC000178491200 189120545 /nfs/dbraw/zinc/12/05/45/189120545.db2.gz PTMJDNUEWWOKOP-LBPRGKRZSA-N 2 2 255.321 3.087 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCOCCC(C)C)C1 ZINC000120600472 370784707 /nfs/dbraw/zinc/78/47/07/370784707.db2.gz VTDAUOZMQJXLLY-INIZCTEOSA-N 2 2 293.455 3.145 10 0 CGAELP CSc1ccc([C@H](C[NH3+])[NH+]2CCC(C)CC2)cc1 ZINC000034938070 368980619 /nfs/dbraw/zinc/98/06/19/368980619.db2.gz VJMYNHPGKCADMB-HNNXBMFYSA-N 2 2 264.438 3.140 10 0 CGAELP CC(C)c1cc(N2CCC([NH3+])CC2)nc(-c2ccccc2)[nH+]1 ZINC000070451794 369799672 /nfs/dbraw/zinc/79/96/72/369799672.db2.gz JOOBZKZBBLPNIX-UHFFFAOYSA-N 2 2 296.418 3.195 10 0 CGAELP CC(C)c1cc(NC2CC[NH2+]CC2)nc(-c2ccccc2)[nH+]1 ZINC000070451683 369800096 /nfs/dbraw/zinc/80/00/96/369800096.db2.gz YGLVIKQXEFMVET-UHFFFAOYSA-N 2 2 296.418 3.431 10 0 CGAELP CCc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)C(C)C ZINC000062808222 541887500 /nfs/dbraw/zinc/88/75/00/541887500.db2.gz LMPKAUWOTQIPSO-CYBMUJFWSA-N 2 2 259.397 3.233 10 0 CGAELP c1csc(C2=CC[N@H+](CCCn3cc[nH+]c3)CC2)c1 ZINC000182789045 374327738 /nfs/dbraw/zinc/32/77/38/374327738.db2.gz INCZNFURGMKGDV-UHFFFAOYSA-N 2 2 273.405 3.124 10 0 CGAELP c1csc(C2=CC[N@@H+](CCCn3cc[nH+]c3)CC2)c1 ZINC000182789045 374327747 /nfs/dbraw/zinc/32/77/47/374327747.db2.gz INCZNFURGMKGDV-UHFFFAOYSA-N 2 2 273.405 3.124 10 0 CGAELP CC[C@H]([NH2+][C@H]1CC[N@H+](CC)C1)c1cccc(Cl)c1 ZINC000328468665 374365343 /nfs/dbraw/zinc/36/53/43/374365343.db2.gz KIGJBCKSZCHUEH-GJZGRUSLSA-N 2 2 266.816 3.475 10 0 CGAELP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC)C1)c1cccc(Cl)c1 ZINC000328468665 374365354 /nfs/dbraw/zinc/36/53/54/374365354.db2.gz KIGJBCKSZCHUEH-GJZGRUSLSA-N 2 2 266.816 3.475 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000226901187 376374617 /nfs/dbraw/zinc/37/46/17/376374617.db2.gz QHZOKXFGHXUCNZ-IAGOWNOFSA-N 2 2 258.409 3.212 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000226901187 376374623 /nfs/dbraw/zinc/37/46/23/376374623.db2.gz QHZOKXFGHXUCNZ-IAGOWNOFSA-N 2 2 258.409 3.212 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000247007079 377136456 /nfs/dbraw/zinc/13/64/56/377136456.db2.gz KZIYAFASSVXCCI-QZTJIDSGSA-N 2 2 272.436 3.082 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000247007079 377136463 /nfs/dbraw/zinc/13/64/63/377136463.db2.gz KZIYAFASSVXCCI-QZTJIDSGSA-N 2 2 272.436 3.082 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CSCCc3ccccc32)C1 ZINC000247177527 377172714 /nfs/dbraw/zinc/17/27/14/377172714.db2.gz VAIJDDKHGKVNJL-RDJZCZTQSA-N 2 2 290.476 3.091 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CSCCc3ccccc32)C1 ZINC000247177527 377172720 /nfs/dbraw/zinc/17/27/20/377172720.db2.gz VAIJDDKHGKVNJL-RDJZCZTQSA-N 2 2 290.476 3.091 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](c2ccc(C)cc2)C2CC2)C1 ZINC000389304848 379896952 /nfs/dbraw/zinc/89/69/52/379896952.db2.gz FFDAMGHSJRJKRJ-IRXDYDNUSA-N 2 2 258.409 3.130 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](c2ccc(C)cc2)C2CC2)C1 ZINC000389304848 379896955 /nfs/dbraw/zinc/89/69/55/379896955.db2.gz FFDAMGHSJRJKRJ-IRXDYDNUSA-N 2 2 258.409 3.130 10 0 CGAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cnc3ccsc3c2)C1 ZINC000389478199 379900059 /nfs/dbraw/zinc/90/00/59/379900059.db2.gz WSLLRBXOJKIQFN-AAEUAGOBSA-N 2 2 275.421 3.041 10 0 CGAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cnc3ccsc3c2)C1 ZINC000389478199 379900065 /nfs/dbraw/zinc/90/00/65/379900065.db2.gz WSLLRBXOJKIQFN-AAEUAGOBSA-N 2 2 275.421 3.041 10 0 CGAELP Cc1cc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c2cccc(F)c2[nH+]1 ZINC000301682356 392597035 /nfs/dbraw/zinc/59/70/35/392597035.db2.gz SLWSRLVBFXGSEP-BZNIZROVSA-N 2 2 287.382 3.069 10 0 CGAELP CC(C)c1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000674877481 543301703 /nfs/dbraw/zinc/30/17/03/543301703.db2.gz UNCPGUSPZHVKMN-JKIFEVAISA-N 2 2 260.425 3.411 10 0 CGAELP CC(C)c1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000674877481 543301705 /nfs/dbraw/zinc/30/17/05/543301705.db2.gz UNCPGUSPZHVKMN-JKIFEVAISA-N 2 2 260.425 3.411 10 0 CGAELP CC(C)[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000070281682 165058350 /nfs/dbraw/zinc/05/83/50/165058350.db2.gz PJQYDTHPOAWOEL-UKRRQHHQSA-N 2 2 266.816 3.331 10 0 CGAELP CC(C)[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000070281682 165058355 /nfs/dbraw/zinc/05/83/55/165058355.db2.gz PJQYDTHPOAWOEL-UKRRQHHQSA-N 2 2 266.816 3.331 10 0 CGAELP Cc1ccc([C@@H](C[NH3+])[N@H+](C)Cc2cccc(C)c2)cc1 ZINC000020225543 171089075 /nfs/dbraw/zinc/08/90/75/171089075.db2.gz IAXBZORGQGKGMT-GOSISDBHSA-N 2 2 268.404 3.435 10 0 CGAELP Cc1ccc([C@@H](C[NH3+])[N@@H+](C)Cc2cccc(C)c2)cc1 ZINC000020225543 171089076 /nfs/dbraw/zinc/08/90/76/171089076.db2.gz IAXBZORGQGKGMT-GOSISDBHSA-N 2 2 268.404 3.435 10 0 CGAELP CC[C@@H](C)C[N@H+](C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000037172660 173007125 /nfs/dbraw/zinc/00/71/25/173007125.db2.gz JHLLZLKGRAEGSJ-RISCZKNCSA-N 2 2 299.256 3.427 10 0 CGAELP CC[C@@H](C)C[N@@H+](C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000037172660 173007128 /nfs/dbraw/zinc/00/71/28/173007128.db2.gz JHLLZLKGRAEGSJ-RISCZKNCSA-N 2 2 299.256 3.427 10 0 CGAELP CCc1[nH+]c2ccc(Cl)cc2n1CCC[NH+](C)C ZINC000040404146 174253819 /nfs/dbraw/zinc/25/38/19/174253819.db2.gz BMSXEOILMBNSHB-UHFFFAOYSA-N 2 2 265.788 3.204 10 0 CGAELP Cc1ccc(C[NH2+][C@H](CC(C)C)C[NH+](C)C)cc1C ZINC000037321646 270029102 /nfs/dbraw/zinc/02/91/02/270029102.db2.gz CFQQSKDPNKZJKC-QGZVFWFLSA-N 2 2 262.441 3.369 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000037321626 270029332 /nfs/dbraw/zinc/02/93/32/270029332.db2.gz XPYQOMHHGILWTH-QZTJIDSGSA-N 2 2 274.452 3.110 10 0 CGAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]CC1=Cc2ccccc2OC1 ZINC000105436426 270047386 /nfs/dbraw/zinc/04/73/86/270047386.db2.gz VHKIHWAPMVPICD-KRWDZBQOSA-N 2 2 288.435 3.028 10 0 CGAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1cc2ccccc2o1 ZINC000396685742 288015439 /nfs/dbraw/zinc/01/54/39/288015439.db2.gz YAKBWYQYHXSRRD-OBJOEFQTSA-N 2 2 258.365 3.224 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000247007125 279323676 /nfs/dbraw/zinc/32/36/76/279323676.db2.gz SZPYQKPXZRBTAR-AGIUHOORSA-N 2 2 278.362 3.181 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000247007125 279323677 /nfs/dbraw/zinc/32/36/77/279323677.db2.gz SZPYQKPXZRBTAR-AGIUHOORSA-N 2 2 278.362 3.181 10 0 CGAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C(C1CC1)C1CC1 ZINC000054602892 519910097 /nfs/dbraw/zinc/91/00/97/519910097.db2.gz OOTJPOBRVHIZHW-MQVJKMGUSA-N 2 2 262.441 3.170 10 0 CGAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C(C1CC1)C1CC1 ZINC000054602892 519910101 /nfs/dbraw/zinc/91/01/01/519910101.db2.gz OOTJPOBRVHIZHW-MQVJKMGUSA-N 2 2 262.441 3.170 10 0 CGAELP C[NH2+]Cc1nc(C[N@@H+]2CCc3sccc3[C@H]2C)cs1 ZINC000052505174 522151188 /nfs/dbraw/zinc/15/11/88/522151188.db2.gz HJMHUUAVITXCDQ-SNVBAGLBSA-N 2 2 293.461 3.043 10 0 CGAELP C[NH2+]Cc1nc(C[N@H+]2CCc3sccc3[C@H]2C)cs1 ZINC000052505174 522151202 /nfs/dbraw/zinc/15/12/02/522151202.db2.gz HJMHUUAVITXCDQ-SNVBAGLBSA-N 2 2 293.461 3.043 10 0 CGAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[NH+]1CCC(C)(C)CC1 ZINC000061818564 522344753 /nfs/dbraw/zinc/34/47/53/522344753.db2.gz VCCLPTCIKURJJT-DZGCQCFKSA-N 2 2 264.413 3.488 10 0 CGAELP C[C@H]([NH3+])Cc1[nH+]ccn1Cc1ccc(Cl)c(Cl)c1 ZINC000062802775 524836849 /nfs/dbraw/zinc/83/68/49/524836849.db2.gz JXTHNSCOQVTGCJ-VIFPVBQESA-N 2 2 284.190 3.128 10 0 CGAELP C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188404761 542248049 /nfs/dbraw/zinc/24/80/49/542248049.db2.gz FUUZTIDQHWSCNC-SJLPKXTDSA-N 2 2 283.419 3.226 10 0 CGAELP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188404761 542248051 /nfs/dbraw/zinc/24/80/51/542248051.db2.gz FUUZTIDQHWSCNC-SJLPKXTDSA-N 2 2 283.419 3.226 10 0 CGAELP CN(CCC[NH+](C)C)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000584621241 346695800 /nfs/dbraw/zinc/69/58/00/346695800.db2.gz XQEUWJZUIBYCBK-UHFFFAOYSA-N 2 2 292.814 3.099 10 0 CGAELP [NH3+]CC[N@@H+]1CCCCC[C@@H]1c1cccc(Cl)c1 ZINC000616623198 348849109 /nfs/dbraw/zinc/84/91/09/348849109.db2.gz CLJYEEOYHNRQJB-CQSZACIVSA-N 2 2 252.789 3.216 10 0 CGAELP [NH3+]CC[N@H+]1CCCCC[C@@H]1c1cccc(Cl)c1 ZINC000616623198 348849113 /nfs/dbraw/zinc/84/91/13/348849113.db2.gz CLJYEEOYHNRQJB-CQSZACIVSA-N 2 2 252.789 3.216 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H]1CC=CCC1 ZINC000180121786 189237925 /nfs/dbraw/zinc/23/79/25/189237925.db2.gz JJFRCHNYKOMAQJ-JKSUJKDBSA-N 2 2 259.397 3.012 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H]1CC=CCC1 ZINC000180121786 189237926 /nfs/dbraw/zinc/23/79/26/189237926.db2.gz JJFRCHNYKOMAQJ-JKSUJKDBSA-N 2 2 259.397 3.012 10 0 CGAELP CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](CC)C2)cc1 ZINC000040502268 369158226 /nfs/dbraw/zinc/15/82/26/369158226.db2.gz NEFSDIGSKIUTMC-GOEBONIOSA-N 2 2 276.424 3.220 10 0 CGAELP CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](CC)C2)cc1 ZINC000040502268 369158228 /nfs/dbraw/zinc/15/82/28/369158228.db2.gz NEFSDIGSKIUTMC-GOEBONIOSA-N 2 2 276.424 3.220 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000041075811 369171767 /nfs/dbraw/zinc/17/17/67/369171767.db2.gz QHZOKXFGHXUCNZ-IRXDYDNUSA-N 2 2 258.409 3.212 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000041075811 369171775 /nfs/dbraw/zinc/17/17/75/369171775.db2.gz QHZOKXFGHXUCNZ-IRXDYDNUSA-N 2 2 258.409 3.212 10 0 CGAELP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)C12CC3CC(CC(C3)C1)C2 ZINC000054762930 369506279 /nfs/dbraw/zinc/50/62/79/369506279.db2.gz AAIVBAODLTVMHH-UWJCENJNSA-N 2 2 259.397 3.104 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3ccc(OC)cc32)C1 ZINC000092383761 370096721 /nfs/dbraw/zinc/09/67/21/370096721.db2.gz BZDUVMLRJOAQHH-CRAIPNDOSA-N 2 2 288.435 3.147 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3ccc(OC)cc32)C1 ZINC000092383761 370096725 /nfs/dbraw/zinc/09/67/25/370096725.db2.gz BZDUVMLRJOAQHH-CRAIPNDOSA-N 2 2 288.435 3.147 10 0 CGAELP Cc1cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)ccc1F ZINC000092812636 370103795 /nfs/dbraw/zinc/10/37/95/370103795.db2.gz SHSOATYXIBOSFE-MRXNPFEDSA-N 2 2 299.393 3.463 10 0 CGAELP Cc1cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)ccc1F ZINC000092812636 370103797 /nfs/dbraw/zinc/10/37/97/370103797.db2.gz SHSOATYXIBOSFE-MRXNPFEDSA-N 2 2 299.393 3.463 10 0 CGAELP c1nc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)co1 ZINC000289883090 371844036 /nfs/dbraw/zinc/84/40/36/371844036.db2.gz RYKSGUDUZIPSKD-KRWDZBQOSA-N 2 2 299.418 3.067 10 0 CGAELP c1nc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)co1 ZINC000289883090 371844041 /nfs/dbraw/zinc/84/40/41/371844041.db2.gz RYKSGUDUZIPSKD-KRWDZBQOSA-N 2 2 299.418 3.067 10 0 CGAELP Fc1ccc2c(c1)[C@H]([NH+]1CCC([NH+]3CCCC3)CC1)CC2 ZINC000177706942 373701391 /nfs/dbraw/zinc/70/13/91/373701391.db2.gz ZDSAHSBNOONTCN-GOSISDBHSA-N 2 2 288.410 3.373 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCC1CCCC1 ZINC000178318538 373767861 /nfs/dbraw/zinc/76/78/61/373767861.db2.gz PNUZIXXHCCBYOR-MRXNPFEDSA-N 2 2 261.413 3.236 10 0 CGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCC1CCCC1 ZINC000178318538 373767871 /nfs/dbraw/zinc/76/78/71/373767871.db2.gz PNUZIXXHCCBYOR-MRXNPFEDSA-N 2 2 261.413 3.236 10 0 CGAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H]1CC=CCC1 ZINC000309681600 374192337 /nfs/dbraw/zinc/19/23/37/374192337.db2.gz ZVLNROUFMBLWEP-IRXDYDNUSA-N 2 2 272.436 3.453 10 0 CGAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H]1CC=CCC1 ZINC000309681600 374192346 /nfs/dbraw/zinc/19/23/46/374192346.db2.gz ZVLNROUFMBLWEP-IRXDYDNUSA-N 2 2 272.436 3.453 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2cc(C)sc2C)C1 ZINC000328289187 374362788 /nfs/dbraw/zinc/36/27/88/374362788.db2.gz UIACBGCHDINOGO-DGCLKSJQSA-N 2 2 252.427 3.110 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2cc(C)sc2C)C1 ZINC000328289187 374362797 /nfs/dbraw/zinc/36/27/97/374362797.db2.gz UIACBGCHDINOGO-DGCLKSJQSA-N 2 2 252.427 3.110 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2OC(F)F)C1 ZINC000328364765 374363530 /nfs/dbraw/zinc/36/35/30/374363530.db2.gz QSWHCFFMSDHGPT-NWDGAFQWSA-N 2 2 284.350 3.033 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2OC(F)F)C1 ZINC000328364765 374363536 /nfs/dbraw/zinc/36/35/36/374363536.db2.gz QSWHCFFMSDHGPT-NWDGAFQWSA-N 2 2 284.350 3.033 10 0 CGAELP CC(C)[NH2+]CC[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000193488679 375887476 /nfs/dbraw/zinc/88/74/76/375887476.db2.gz LMQCWQVRIOMAFO-HNNXBMFYSA-N 2 2 283.419 3.397 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000245704682 376883726 /nfs/dbraw/zinc/88/37/26/376883726.db2.gz DTLPISRGPADXSF-HZPDHXFCSA-N 2 2 273.424 3.439 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000245704682 376883731 /nfs/dbraw/zinc/88/37/31/376883731.db2.gz DTLPISRGPADXSF-HZPDHXFCSA-N 2 2 273.424 3.439 10 0 CGAELP CC[C@H]1C[N@H+](CCn2cc[nH+]c2)CC[C@H]1c1ccccc1 ZINC000246477958 377037042 /nfs/dbraw/zinc/03/70/42/377037042.db2.gz FTOOSMOVMIVCDM-FUHWJXTLSA-N 2 2 283.419 3.399 10 0 CGAELP CC[C@H]1C[N@@H+](CCn2cc[nH+]c2)CC[C@H]1c1ccccc1 ZINC000246477958 377037051 /nfs/dbraw/zinc/03/70/51/377037051.db2.gz FTOOSMOVMIVCDM-FUHWJXTLSA-N 2 2 283.419 3.399 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000246264821 377000104 /nfs/dbraw/zinc/00/01/04/377000104.db2.gz PCHVWNBXECCQDG-CABCVRRESA-N 2 2 259.397 3.191 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000246264821 377000113 /nfs/dbraw/zinc/00/01/13/377000113.db2.gz PCHVWNBXECCQDG-CABCVRRESA-N 2 2 259.397 3.191 10 0 CGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C1CCC1 ZINC000247995011 377256138 /nfs/dbraw/zinc/25/61/38/377256138.db2.gz JVIVJACGVUEDMT-RVKKMQEKSA-N 2 2 287.451 3.070 10 0 CGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C1CCC1 ZINC000247995011 377256147 /nfs/dbraw/zinc/25/61/47/377256147.db2.gz JVIVJACGVUEDMT-RVKKMQEKSA-N 2 2 287.451 3.070 10 0 CGAELP Clc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000177100667 542189823 /nfs/dbraw/zinc/18/98/23/542189823.db2.gz CKANAXBEUKBELW-OAHLLOKOSA-N 2 2 275.783 3.201 10 0 CGAELP Clc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000177100667 542189827 /nfs/dbraw/zinc/18/98/27/542189827.db2.gz CKANAXBEUKBELW-OAHLLOKOSA-N 2 2 275.783 3.201 10 0 CGAELP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(Cl)s1 ZINC000400333977 379948011 /nfs/dbraw/zinc/94/80/11/379948011.db2.gz CPIIPTVBIZRRCV-LPEHRKFASA-N 2 2 258.818 3.193 10 0 CGAELP CC[N@H+](Cc1ccccc1)[C@H](C[NH3+])c1ccccc1 ZINC000020225359 171088210 /nfs/dbraw/zinc/08/82/10/171088210.db2.gz XTDDJDBVWZTSQN-QGZVFWFLSA-N 2 2 254.377 3.209 10 0 CGAELP CC[N@@H+](Cc1ccccc1)[C@H](C[NH3+])c1ccccc1 ZINC000020225359 171088213 /nfs/dbraw/zinc/08/82/13/171088213.db2.gz XTDDJDBVWZTSQN-QGZVFWFLSA-N 2 2 254.377 3.209 10 0 CGAELP CCC(CC)[C@H](C[NH3+])[N@H+](C)Cc1cccc(F)c1 ZINC000020266532 171123479 /nfs/dbraw/zinc/12/34/79/171123479.db2.gz SMHZDJXADMUFKT-HNNXBMFYSA-N 2 2 252.377 3.021 10 0 CGAELP CCC(CC)[C@H](C[NH3+])[N@@H+](C)Cc1cccc(F)c1 ZINC000020266532 171123483 /nfs/dbraw/zinc/12/34/83/171123483.db2.gz SMHZDJXADMUFKT-HNNXBMFYSA-N 2 2 252.377 3.021 10 0 CGAELP C[C@H]1CCCC[C@H]1[NH2+][C@@H](C[NH+](C)C)c1ccccc1 ZINC000021802302 171326425 /nfs/dbraw/zinc/32/64/25/171326425.db2.gz DAUSYHNBGKSOOU-UAGQMJEPSA-N 2 2 260.425 3.458 10 0 CGAELP CC[C@H](C)C[N@H+](C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000037172661 173006829 /nfs/dbraw/zinc/00/68/29/173006829.db2.gz JHLLZLKGRAEGSJ-FZMZJTMJSA-N 2 2 299.256 3.427 10 0 CGAELP CC[C@H](C)C[N@@H+](C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000037172661 173006831 /nfs/dbraw/zinc/00/68/31/173006831.db2.gz JHLLZLKGRAEGSJ-FZMZJTMJSA-N 2 2 299.256 3.427 10 0 CGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C[N@@H+]1C1CC1 ZINC000221939255 262332920 /nfs/dbraw/zinc/33/29/20/262332920.db2.gz NGQNSXDVTCBIKV-LPWJVIDDSA-N 2 2 290.373 3.322 10 0 CGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C[N@H+]1C1CC1 ZINC000221939255 262332921 /nfs/dbraw/zinc/33/29/21/262332921.db2.gz NGQNSXDVTCBIKV-LPWJVIDDSA-N 2 2 290.373 3.322 10 0 CGAELP COc1ccccc1C[C@@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000037321605 270029148 /nfs/dbraw/zinc/02/91/48/270029148.db2.gz IBLWKAVTRHKCRL-WBVHZDCISA-N 2 2 292.467 3.192 10 0 CGAELP CC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379632359 330144451 /nfs/dbraw/zinc/14/44/51/330144451.db2.gz NPWKKNLUTOWKIG-RDJZCZTQSA-N 2 2 260.425 3.429 10 0 CGAELP CC[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379632359 330144453 /nfs/dbraw/zinc/14/44/53/330144453.db2.gz NPWKKNLUTOWKIG-RDJZCZTQSA-N 2 2 260.425 3.429 10 0 CGAELP C[C@H]([NH2+]Cc1cccn1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000174651364 335162302 /nfs/dbraw/zinc/16/23/02/335162302.db2.gz PFQUOWOUSMLBJY-AWEZNQCLSA-N 2 2 280.375 3.062 10 0 CGAELP CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1[N@H+](C)CC(C)C ZINC000054554935 520219087 /nfs/dbraw/zinc/21/90/87/520219087.db2.gz YKPKFYMGFZVWIN-JYJNAYRXSA-N 2 2 254.462 3.377 10 0 CGAELP CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1[N@@H+](C)CC(C)C ZINC000054554935 520219091 /nfs/dbraw/zinc/21/90/91/520219091.db2.gz YKPKFYMGFZVWIN-JYJNAYRXSA-N 2 2 254.462 3.377 10 0 CGAELP CCCC[N@H+]([C@@H](C[NH3+])c1ccc(F)cc1C)C1CC1 ZINC000050578949 520551465 /nfs/dbraw/zinc/55/14/65/520551465.db2.gz BLWAUBCTOJBXON-INIZCTEOSA-N 2 2 264.388 3.398 10 0 CGAELP CCCC[N@@H+]([C@@H](C[NH3+])c1ccc(F)cc1C)C1CC1 ZINC000050578949 520551476 /nfs/dbraw/zinc/55/14/76/520551476.db2.gz BLWAUBCTOJBXON-INIZCTEOSA-N 2 2 264.388 3.398 10 0 CGAELP CCC[C@@H](C)[N@H+](C)[C@@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596672 520648058 /nfs/dbraw/zinc/64/80/58/520648058.db2.gz FTTLOVZUVMTZMW-HIFRSBDPSA-N 2 2 264.413 3.124 10 0 CGAELP CCC[C@@H](C)[N@@H+](C)[C@@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596672 520648063 /nfs/dbraw/zinc/64/80/63/520648063.db2.gz FTTLOVZUVMTZMW-HIFRSBDPSA-N 2 2 264.413 3.124 10 0 CGAELP CC(C)Cc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c[nH]2)cc1 ZINC000054764307 519445743 /nfs/dbraw/zinc/44/57/43/519445743.db2.gz BIEQURWFEQABCP-CYBMUJFWSA-N 2 2 257.381 3.459 10 0 CGAELP CC[NH2+]C[C@H](C)C[N@H+](C)Cc1ccccc1Br ZINC000052541200 519969574 /nfs/dbraw/zinc/96/95/74/519969574.db2.gz MQCYQOZLJUJJBU-LBPRGKRZSA-N 2 2 299.256 3.127 10 0 CGAELP CC[NH2+]C[C@H](C)C[N@@H+](C)Cc1ccccc1Br ZINC000052541200 519969581 /nfs/dbraw/zinc/96/95/81/519969581.db2.gz MQCYQOZLJUJJBU-LBPRGKRZSA-N 2 2 299.256 3.127 10 0 CGAELP C[C@@H]([NH3+])Cc1[nH+]ccn1Cc1ccc(Cl)c(Cl)c1 ZINC000062802776 525002775 /nfs/dbraw/zinc/00/27/75/525002775.db2.gz JXTHNSCOQVTGCJ-SECBINFHSA-N 2 2 284.190 3.128 10 0 CGAELP Cc1cc(F)ccc1[C@H](C[NH3+])[N@H+](C)CC(C)(C)C ZINC000050579205 525009672 /nfs/dbraw/zinc/00/96/72/525009672.db2.gz IPVFFPWRGNPOKD-AWEZNQCLSA-N 2 2 252.377 3.112 10 0 CGAELP Cc1cc(F)ccc1[C@H](C[NH3+])[N@@H+](C)CC(C)(C)C ZINC000050579205 525009682 /nfs/dbraw/zinc/00/96/82/525009682.db2.gz IPVFFPWRGNPOKD-AWEZNQCLSA-N 2 2 252.377 3.112 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000094370385 640795029 /nfs/dbraw/zinc/79/50/29/640795029.db2.gz ZWCGBMZIWSNXAQ-HZPDHXFCSA-N 2 2 282.472 3.044 10 0 CGAELP Cc1cc2ccccc2[nH+]c1N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000063106348 345243368 /nfs/dbraw/zinc/24/33/68/345243368.db2.gz LOEITBUHXNGOEC-ZFWWWQNUSA-N 2 2 269.392 3.343 10 0 CGAELP CCCc1[nH+]c2ccccc2n1CC[C@@H]1CCC[NH2+]C1 ZINC000129178614 346047826 /nfs/dbraw/zinc/04/78/26/346047826.db2.gz CZEQYBFEHASZAS-AWEZNQCLSA-N 2 2 271.408 3.379 10 0 CGAELP CCN(CC[NH+](C)C)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000584601907 346689817 /nfs/dbraw/zinc/68/98/17/346689817.db2.gz RCZWCXZVNURYCA-UHFFFAOYSA-N 2 2 292.814 3.099 10 0 CGAELP Nc1cccc([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)[nH+]1 ZINC000616609560 348844642 /nfs/dbraw/zinc/84/46/42/348844642.db2.gz BNYNOYQIQWEHKN-MRXNPFEDSA-N 2 2 281.403 3.434 10 0 CGAELP Nc1cccc([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)[nH+]1 ZINC000616609560 348844648 /nfs/dbraw/zinc/84/46/48/348844648.db2.gz BNYNOYQIQWEHKN-MRXNPFEDSA-N 2 2 281.403 3.434 10 0 CGAELP CC1(C[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)CCCC1 ZINC000104435067 186001371 /nfs/dbraw/zinc/00/13/71/186001371.db2.gz OHQCMHCBSCSQNP-INIZCTEOSA-N 2 2 258.409 3.043 10 0 CGAELP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634991804 351619435 /nfs/dbraw/zinc/61/94/35/351619435.db2.gz RPVPBODYWFLLCF-BZUNDVKYSA-N 2 2 264.800 3.085 10 0 CGAELP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634991804 351619437 /nfs/dbraw/zinc/61/94/37/351619437.db2.gz RPVPBODYWFLLCF-BZUNDVKYSA-N 2 2 264.800 3.085 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000122862928 187055746 /nfs/dbraw/zinc/05/57/46/187055746.db2.gz ZLKQDEITIFIVSM-CYBMUJFWSA-N 2 2 275.421 3.344 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000122862928 187055747 /nfs/dbraw/zinc/05/57/47/187055747.db2.gz ZLKQDEITIFIVSM-CYBMUJFWSA-N 2 2 275.421 3.344 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccccc2OC)C1 ZINC000122932675 187060614 /nfs/dbraw/zinc/06/06/14/187060614.db2.gz OSNCYVBZBQPHDU-MRXNPFEDSA-N 2 2 299.418 3.291 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccccc2OC)C1 ZINC000122932675 187060615 /nfs/dbraw/zinc/06/06/15/187060615.db2.gz OSNCYVBZBQPHDU-MRXNPFEDSA-N 2 2 299.418 3.291 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC000106213160 138354041 /nfs/dbraw/zinc/35/40/41/138354041.db2.gz UYFXJSXFHZSSNO-HNNXBMFYSA-N 2 2 261.413 3.273 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC000106213160 138354042 /nfs/dbraw/zinc/35/40/42/138354042.db2.gz UYFXJSXFHZSSNO-HNNXBMFYSA-N 2 2 261.413 3.273 10 0 CGAELP CCCC[N@H+](C)[C@H](C[NH3+])c1ccc(SC)cc1 ZINC000034938065 368980446 /nfs/dbraw/zinc/98/04/46/368980446.db2.gz LPOJSVJALSOZHG-CQSZACIVSA-N 2 2 252.427 3.140 10 0 CGAELP CCCC[N@@H+](C)[C@H](C[NH3+])c1ccc(SC)cc1 ZINC000034938065 368980450 /nfs/dbraw/zinc/98/04/50/368980450.db2.gz LPOJSVJALSOZHG-CQSZACIVSA-N 2 2 252.427 3.140 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000040502679 369158123 /nfs/dbraw/zinc/15/81/23/369158123.db2.gz VNRBFDURXBAIAG-WIHSUSGWSA-N 2 2 276.399 3.146 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000040502679 369158127 /nfs/dbraw/zinc/15/81/27/369158127.db2.gz VNRBFDURXBAIAG-WIHSUSGWSA-N 2 2 276.399 3.146 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+]C2CC(c3ccccc3C)C2)C1 ZINC000040502698 369158379 /nfs/dbraw/zinc/15/83/79/369158379.db2.gz HBRKONRCCXAETA-AQFXKWCLSA-N 2 2 272.436 3.315 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+]C2CC(c3ccccc3C)C2)C1 ZINC000040502698 369158381 /nfs/dbraw/zinc/15/83/81/369158381.db2.gz HBRKONRCCXAETA-AQFXKWCLSA-N 2 2 272.436 3.315 10 0 CGAELP Cc1ccc(-c2nc(N3CC[C@H]([NH3+])C3)cc(C(C)C)[nH+]2)cc1 ZINC000070455789 369800828 /nfs/dbraw/zinc/80/08/28/369800828.db2.gz ICAAYLPXVSUGRV-HNNXBMFYSA-N 2 2 296.418 3.113 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000171746656 372820315 /nfs/dbraw/zinc/82/03/15/372820315.db2.gz PCHVWNBXECCQDG-LSDHHAIUSA-N 2 2 259.397 3.191 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H]2C=CCCC2)C1 ZINC000171746656 372820323 /nfs/dbraw/zinc/82/03/23/372820323.db2.gz PCHVWNBXECCQDG-LSDHHAIUSA-N 2 2 259.397 3.191 10 0 CGAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C1CCC1 ZINC000178402819 373775074 /nfs/dbraw/zinc/77/50/74/373775074.db2.gz JVIVJACGVUEDMT-VKJFTORMSA-N 2 2 287.451 3.070 10 0 CGAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C1CCC1 ZINC000178402819 373775076 /nfs/dbraw/zinc/77/50/76/373775076.db2.gz JVIVJACGVUEDMT-VKJFTORMSA-N 2 2 287.451 3.070 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000336890930 376021480 /nfs/dbraw/zinc/02/14/80/376021480.db2.gz HZJYTDDPPHXTDO-LSDHHAIUSA-N 2 2 250.430 3.173 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000336890930 376021484 /nfs/dbraw/zinc/02/14/84/376021484.db2.gz HZJYTDDPPHXTDO-LSDHHAIUSA-N 2 2 250.430 3.173 10 0 CGAELP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)o1 ZINC000131987584 542074236 /nfs/dbraw/zinc/07/42/36/542074236.db2.gz ZNKTWGOZVHAKQA-CQDKDKBSSA-N 2 2 256.349 3.383 10 0 CGAELP CCc1ccc([C@H](CC)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000222697546 376240309 /nfs/dbraw/zinc/24/03/09/376240309.db2.gz MDJLISFNZJLSFP-IRXDYDNUSA-N 2 2 260.425 3.384 10 0 CGAELP CCc1ccc([C@H](CC)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000222697546 376240312 /nfs/dbraw/zinc/24/03/12/376240312.db2.gz MDJLISFNZJLSFP-IRXDYDNUSA-N 2 2 260.425 3.384 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H]1CC=CCC1 ZINC000245728767 376893167 /nfs/dbraw/zinc/89/31/67/376893167.db2.gz JJFRCHNYKOMAQJ-CVEARBPZSA-N 2 2 259.397 3.012 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H]1CC=CCC1 ZINC000245728767 376893168 /nfs/dbraw/zinc/89/31/68/376893168.db2.gz JJFRCHNYKOMAQJ-CVEARBPZSA-N 2 2 259.397 3.012 10 0 CGAELP Cc1cccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000246364079 377014835 /nfs/dbraw/zinc/01/48/35/377014835.db2.gz XSPWAZLWPZHSLR-RDJZCZTQSA-N 2 2 269.392 3.275 10 0 CGAELP Cc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000246364079 377014840 /nfs/dbraw/zinc/01/48/40/377014840.db2.gz XSPWAZLWPZHSLR-RDJZCZTQSA-N 2 2 269.392 3.275 10 0 CGAELP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)CC(C)(C)C1 ZINC000251677119 377593370 /nfs/dbraw/zinc/59/33/70/377593370.db2.gz AHZOBBCCLAFFNT-RDBSUJKOSA-N 2 2 250.430 3.028 10 0 CGAELP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)CC(C)(C)C1 ZINC000251677119 377593378 /nfs/dbraw/zinc/59/33/78/377593378.db2.gz AHZOBBCCLAFFNT-RDBSUJKOSA-N 2 2 250.430 3.028 10 0 CGAELP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@H](C)c3ccccc32)n1C ZINC000579026098 378124268 /nfs/dbraw/zinc/12/42/68/378124268.db2.gz SARUPZSMWPNQAD-YVEFUNNKSA-N 2 2 269.392 3.457 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000248886291 542337733 /nfs/dbraw/zinc/33/77/33/542337733.db2.gz MHWQGPODWNCENU-YOEHRIQHSA-N 2 2 273.424 3.007 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000248886291 542337736 /nfs/dbraw/zinc/33/77/36/542337736.db2.gz MHWQGPODWNCENU-YOEHRIQHSA-N 2 2 273.424 3.007 10 0 CGAELP c1cn(-c2ccc(C[N@@H+]3CCO[C@H]4CCCC[C@H]43)cc2)c[nH+]1 ZINC000245202433 131084531 /nfs/dbraw/zinc/08/45/31/131084531.db2.gz ZAILOEDDNDXNST-MSOLQXFVSA-N 2 2 297.402 3.016 10 0 CGAELP c1cn(-c2ccc(C[N@H+]3CCO[C@H]4CCCC[C@H]43)cc2)c[nH+]1 ZINC000245202433 131084533 /nfs/dbraw/zinc/08/45/33/131084533.db2.gz ZAILOEDDNDXNST-MSOLQXFVSA-N 2 2 297.402 3.016 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3ccc(OC)cc32)C1 ZINC000092383760 165294490 /nfs/dbraw/zinc/29/44/90/165294490.db2.gz BZDUVMLRJOAQHH-MAUKXSAKSA-N 2 2 288.435 3.147 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3ccc(OC)cc32)C1 ZINC000092383760 165294493 /nfs/dbraw/zinc/29/44/93/165294493.db2.gz BZDUVMLRJOAQHH-MAUKXSAKSA-N 2 2 288.435 3.147 10 0 CGAELP c1coc([C@@H]([NH2+]CCC[NH+]2CCCC2)c2ccccc2)c1 ZINC000020129095 171016188 /nfs/dbraw/zinc/01/61/88/171016188.db2.gz SFRRKLQBCWNDAM-SFHVURJKSA-N 2 2 284.403 3.445 10 0 CGAELP Cc1ccc([C@@H](C[NH3+])[N@H+](C)Cc2ccccc2C)cc1 ZINC000020225541 171087928 /nfs/dbraw/zinc/08/79/28/171087928.db2.gz JMWYMQDXJMGEMP-GOSISDBHSA-N 2 2 268.404 3.435 10 0 CGAELP Cc1ccc([C@@H](C[NH3+])[N@@H+](C)Cc2ccccc2C)cc1 ZINC000020225541 171087930 /nfs/dbraw/zinc/08/79/30/171087930.db2.gz JMWYMQDXJMGEMP-GOSISDBHSA-N 2 2 268.404 3.435 10 0 CGAELP Cc1cccc(C[N@@H+](C)[C@@H](C[NH3+])c2cccc(C)c2)c1 ZINC000020225486 171088217 /nfs/dbraw/zinc/08/82/17/171088217.db2.gz PACJOHQDRSSCCA-SFHVURJKSA-N 2 2 268.404 3.435 10 0 CGAELP Cc1cccc(C[N@H+](C)[C@@H](C[NH3+])c2cccc(C)c2)c1 ZINC000020225486 171088221 /nfs/dbraw/zinc/08/82/21/171088221.db2.gz PACJOHQDRSSCCA-SFHVURJKSA-N 2 2 268.404 3.435 10 0 CGAELP Cc1ccc(C[N@H+](C)C[C@H]([NH3+])c2ccccc2)cc1 ZINC000020264701 171121969 /nfs/dbraw/zinc/12/19/69/171121969.db2.gz OQFYMDAHYJPIIW-KRWDZBQOSA-N 2 2 254.377 3.127 10 0 CGAELP Cc1ccc(C[N@@H+](C)C[C@H]([NH3+])c2ccccc2)cc1 ZINC000020264701 171121971 /nfs/dbraw/zinc/12/19/71/171121971.db2.gz OQFYMDAHYJPIIW-KRWDZBQOSA-N 2 2 254.377 3.127 10 0 CGAELP C[C@H]1CCCC[C@@H]1[NH2+][C@@H](C[NH+](C)C)c1ccccc1 ZINC000021802298 171326431 /nfs/dbraw/zinc/32/64/31/171326431.db2.gz DAUSYHNBGKSOOU-XIRDDKMYSA-N 2 2 260.425 3.458 10 0 CGAELP CC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@@H]([NH+]2CCCCCC2)C1 ZINC000021815023 171331554 /nfs/dbraw/zinc/33/15/54/171331554.db2.gz ZBKMOSMBJBLXMO-ILXRZTDVSA-N 2 2 252.446 3.405 10 0 CGAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc2ccccc2c1 ZINC000035504230 172237573 /nfs/dbraw/zinc/23/75/73/172237573.db2.gz BPAKCIPEBLNKHZ-OAHLLOKOSA-N 2 2 251.333 3.066 10 0 CGAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cc(Cl)ccc1F ZINC000035570194 172265341 /nfs/dbraw/zinc/26/53/41/172265341.db2.gz CDKCLBWMUYNKHS-LBPRGKRZSA-N 2 2 267.735 3.096 10 0 CGAELP CCC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(Br)o1 ZINC000035586299 172285604 /nfs/dbraw/zinc/28/56/04/172285604.db2.gz HPHZCNKPGUSWOH-SECBINFHSA-N 2 2 298.184 3.049 10 0 CGAELP CCC[C@@H]1CC[C@H]([NH3+])[C@H]([N@@H+]2CCC[C@H](CC)C2)C1 ZINC000037743243 173665458 /nfs/dbraw/zinc/66/54/58/173665458.db2.gz WHRXSXSCVQOZEM-XUWVNRHRSA-N 2 2 252.446 3.405 10 0 CGAELP CCC[C@@H]1CC[C@H]([NH3+])[C@H]([N@H+]2CCC[C@H](CC)C2)C1 ZINC000037743243 173665460 /nfs/dbraw/zinc/66/54/60/173665460.db2.gz WHRXSXSCVQOZEM-XUWVNRHRSA-N 2 2 252.446 3.405 10 0 CGAELP C[C@H](C[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2)[NH+](C)C ZINC000038088582 174101470 /nfs/dbraw/zinc/10/14/70/174101470.db2.gz PUYJKZTYABVMQZ-HAWGNNMYSA-N 2 2 264.457 3.131 10 0 CGAELP Cc1cccc(NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)[nH+]1 ZINC000040670065 174368628 /nfs/dbraw/zinc/36/86/28/174368628.db2.gz NRSOGEGZAYUQRR-CJNGLKHVSA-N 2 2 261.413 3.312 10 0 CGAELP CCC[N@H+]([C@H]1CC[NH2+]C1)[C@@H]1CCSc2ccccc21 ZINC000071314739 176120876 /nfs/dbraw/zinc/12/08/76/176120876.db2.gz YDKSRGZYUCNJEO-DZGCQCFKSA-N 2 2 276.449 3.297 10 0 CGAELP CCC[N@@H+]([C@H]1CC[NH2+]C1)[C@@H]1CCSc2ccccc21 ZINC000071314739 176120878 /nfs/dbraw/zinc/12/08/78/176120878.db2.gz YDKSRGZYUCNJEO-DZGCQCFKSA-N 2 2 276.449 3.297 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)c2cc(C)cc(C)c2)C1 ZINC000130410669 287354445 /nfs/dbraw/zinc/35/44/45/287354445.db2.gz VWHSFZOQFDYOLY-RDJZCZTQSA-N 2 2 260.425 3.438 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)c2cc(C)cc(C)c2)C1 ZINC000130410669 287354448 /nfs/dbraw/zinc/35/44/48/287354448.db2.gz VWHSFZOQFDYOLY-RDJZCZTQSA-N 2 2 260.425 3.438 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2C[C@H](C)c3ccccc32)C1 ZINC000311614003 276376028 /nfs/dbraw/zinc/37/60/28/276376028.db2.gz WCLVXIUBQYYXSV-GRDNDAEWSA-N 2 2 258.409 3.309 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2C[C@H](C)c3ccccc32)C1 ZINC000311614003 276376029 /nfs/dbraw/zinc/37/60/29/276376029.db2.gz WCLVXIUBQYYXSV-GRDNDAEWSA-N 2 2 258.409 3.309 10 0 CGAELP C[N@H+](CC(C)(C)C)[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000052570221 522547842 /nfs/dbraw/zinc/54/78/42/522547842.db2.gz DFDFHSFBLVAXES-INIZCTEOSA-N 2 2 260.425 3.458 10 0 CGAELP C[N@@H+](CC(C)(C)C)[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000052570221 522547854 /nfs/dbraw/zinc/54/78/54/522547854.db2.gz DFDFHSFBLVAXES-INIZCTEOSA-N 2 2 260.425 3.458 10 0 CGAELP Cc1[nH+]c[nH]c1C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000054795600 527213564 /nfs/dbraw/zinc/21/35/64/527213564.db2.gz HPDKEFWZEOVEOX-NSHDSACASA-N 2 2 255.321 3.315 10 0 CGAELP CC(C)[NH2+]Cc1sc(C[NH+](C)C)nc1C(C)(C)C ZINC000082442998 178021651 /nfs/dbraw/zinc/02/16/51/178021651.db2.gz FTEBFOWEQNLBNP-UHFFFAOYSA-N 2 2 269.458 3.000 10 0 CGAELP Cc1ccc([C@H]2[C@@H]([NH3+])CC[N@@H+]2Cc2ccccc2)cc1 ZINC000096947866 185137996 /nfs/dbraw/zinc/13/79/96/185137996.db2.gz BXJMGLNFVJVTDD-ROUUACIJSA-N 2 2 266.388 3.269 10 0 CGAELP Cc1ccc([C@H]2[C@@H]([NH3+])CC[N@H+]2Cc2ccccc2)cc1 ZINC000096947866 185137997 /nfs/dbraw/zinc/13/79/97/185137997.db2.gz BXJMGLNFVJVTDD-ROUUACIJSA-N 2 2 266.388 3.269 10 0 CGAELP CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000188402698 542247364 /nfs/dbraw/zinc/24/73/64/542247364.db2.gz MCLXFVWLOXEHSS-QGZVFWFLSA-N 2 2 299.418 3.335 10 0 CGAELP CC(C)Oc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000188402698 542247368 /nfs/dbraw/zinc/24/73/68/542247368.db2.gz MCLXFVWLOXEHSS-QGZVFWFLSA-N 2 2 299.418 3.335 10 0 CGAELP C[NH+](C)CCNc1c2ccccc2[nH+]nc1-c1ccccc1 ZINC000584614365 346693149 /nfs/dbraw/zinc/69/31/49/346693149.db2.gz FXQYVQJZBWQKPC-UHFFFAOYSA-N 2 2 292.386 3.270 10 0 CGAELP C[NH2+]N(C)CC[C@@H](C)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000584637354 346701479 /nfs/dbraw/zinc/70/14/79/346701479.db2.gz JHUGDTFNZUOSMX-LLVKDONJSA-N 2 2 292.814 3.145 10 0 CGAELP C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)o1 ZINC000127740450 138390572 /nfs/dbraw/zinc/39/05/72/138390572.db2.gz BFNUOYBJMBRWQH-YOEHRIQHSA-N 2 2 288.435 3.463 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ncc(C)s2)C1 ZINC000180481287 189257613 /nfs/dbraw/zinc/25/76/13/189257613.db2.gz ILTRFPDPRYXKCU-ZDUSSCGKSA-N 2 2 290.436 3.048 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ncc(C)s2)C1 ZINC000180481287 189257614 /nfs/dbraw/zinc/25/76/14/189257614.db2.gz ILTRFPDPRYXKCU-ZDUSSCGKSA-N 2 2 290.436 3.048 10 0 CGAELP [NH3+]C[C@@H](c1ccc(-c2ccccc2F)o1)[NH+]1CCCC1 ZINC000053994432 369491217 /nfs/dbraw/zinc/49/12/17/369491217.db2.gz UQLHVPUTEGXIGY-AWEZNQCLSA-N 2 2 274.339 3.181 10 0 CGAELP CCc1cc(N[C@H]2CCC[NH2+]C2)nc(-c2ccc(C)cc2)[nH+]1 ZINC000070456420 369801033 /nfs/dbraw/zinc/80/10/33/369801033.db2.gz RSSSODVLWLRHKS-INIZCTEOSA-N 2 2 296.418 3.178 10 0 CGAELP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000165937582 372560435 /nfs/dbraw/zinc/56/04/35/372560435.db2.gz MEVXTBMZYWQADT-YQQAZPJKSA-N 2 2 260.425 3.374 10 0 CGAELP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000165937582 372560442 /nfs/dbraw/zinc/56/04/42/372560442.db2.gz MEVXTBMZYWQADT-YQQAZPJKSA-N 2 2 260.425 3.374 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000328513295 374366183 /nfs/dbraw/zinc/36/61/83/374366183.db2.gz OPAQPVGXKZLLFT-GDBMZVCRSA-N 2 2 276.424 3.219 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000328513295 374366190 /nfs/dbraw/zinc/36/61/90/374366190.db2.gz OPAQPVGXKZLLFT-GDBMZVCRSA-N 2 2 276.424 3.219 10 0 CGAELP ClC(Cl)(Cl)CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000184569794 374540511 /nfs/dbraw/zinc/54/05/11/374540511.db2.gz IINPBYPCAAXQGQ-LLVKDONJSA-N 2 2 299.673 3.164 10 0 CGAELP ClC(Cl)(Cl)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000184569794 374540515 /nfs/dbraw/zinc/54/05/15/374540515.db2.gz IINPBYPCAAXQGQ-LLVKDONJSA-N 2 2 299.673 3.164 10 0 CGAELP CC(C)c1cnc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)s1 ZINC000185223479 374614058 /nfs/dbraw/zinc/61/40/58/374614058.db2.gz ROIHTHKBHUUXJD-ZDUSSCGKSA-N 2 2 290.436 3.128 10 0 CGAELP CC(C)c1cnc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)s1 ZINC000185223479 374614071 /nfs/dbraw/zinc/61/40/71/374614071.db2.gz ROIHTHKBHUUXJD-ZDUSSCGKSA-N 2 2 290.436 3.128 10 0 CGAELP C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261564544 296223556 /nfs/dbraw/zinc/22/35/56/296223556.db2.gz CXJLSMLBNPFLIT-GWCFXTLKSA-N 2 2 268.351 3.085 10 0 CGAELP C[C@@H](c1c(F)cccc1F)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261564544 296223557 /nfs/dbraw/zinc/22/35/57/296223557.db2.gz CXJLSMLBNPFLIT-GWCFXTLKSA-N 2 2 268.351 3.085 10 0 CGAELP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000041027882 296225794 /nfs/dbraw/zinc/22/57/94/296225794.db2.gz XCHGIGIHDAGQHM-BBRMVZONSA-N 2 2 260.425 3.468 10 0 CGAELP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC000041027882 296225795 /nfs/dbraw/zinc/22/57/95/296225795.db2.gz XCHGIGIHDAGQHM-BBRMVZONSA-N 2 2 260.425 3.468 10 0 CGAELP Cc1cc[nH+]c(N[C@@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000336724935 375920945 /nfs/dbraw/zinc/92/09/45/375920945.db2.gz XGFVQYFYVVTKFD-HNNXBMFYSA-N 2 2 269.392 3.322 10 0 CGAELP Cc1cc[nH+]c(N[C@@H](C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000336724935 375920952 /nfs/dbraw/zinc/92/09/52/375920952.db2.gz XGFVQYFYVVTKFD-HNNXBMFYSA-N 2 2 269.392 3.322 10 0 CGAELP C[N@@H+]1CC[C@H](C[NH2+]CC2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245707473 376886102 /nfs/dbraw/zinc/88/61/02/376886102.db2.gz ONQHWNAHFWYVNW-CZUORRHYSA-N 2 2 296.817 3.472 10 0 CGAELP C[N@H+]1CC[C@H](C[NH2+]CC2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245707473 376886106 /nfs/dbraw/zinc/88/61/06/376886106.db2.gz ONQHWNAHFWYVNW-CZUORRHYSA-N 2 2 296.817 3.472 10 0 CGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](C2CCCC2)C1 ZINC000195248951 542280126 /nfs/dbraw/zinc/28/01/26/542280126.db2.gz HWRJNCCJQWZXCD-CQSZACIVSA-N 2 2 293.480 3.148 10 0 CGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](C2CCCC2)C1 ZINC000195248951 542280132 /nfs/dbraw/zinc/28/01/32/542280132.db2.gz HWRJNCCJQWZXCD-CQSZACIVSA-N 2 2 293.480 3.148 10 0 CGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000195248951 542280137 /nfs/dbraw/zinc/28/01/37/542280137.db2.gz HWRJNCCJQWZXCD-CQSZACIVSA-N 2 2 293.480 3.148 10 0 CGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000195248951 542280141 /nfs/dbraw/zinc/28/01/41/542280141.db2.gz HWRJNCCJQWZXCD-CQSZACIVSA-N 2 2 293.480 3.148 10 0 CGAELP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000248848846 542337396 /nfs/dbraw/zinc/33/73/96/542337396.db2.gz ABHJUFYAGAHCBI-PMPSAXMXSA-N 2 2 261.413 3.174 10 0 CGAELP C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000248848846 542337398 /nfs/dbraw/zinc/33/73/98/542337398.db2.gz ABHJUFYAGAHCBI-PMPSAXMXSA-N 2 2 261.413 3.174 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCOc3ccc(C)cc32)C1 ZINC000133036066 285231879 /nfs/dbraw/zinc/23/18/79/285231879.db2.gz SQTUTUYAOJPLSB-NVXWUHKLSA-N 2 2 288.435 3.283 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCOc3ccc(C)cc32)C1 ZINC000133036066 285231884 /nfs/dbraw/zinc/23/18/84/285231884.db2.gz SQTUTUYAOJPLSB-NVXWUHKLSA-N 2 2 288.435 3.283 10 0 CGAELP C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189892933 130037532 /nfs/dbraw/zinc/03/75/32/130037532.db2.gz HPFMYAYQLOORNS-PBHICJAKSA-N 2 2 285.391 3.092 10 0 CGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCSc3c(F)cccc32)C1 ZINC000389500869 542608601 /nfs/dbraw/zinc/60/86/01/542608601.db2.gz BZAAIPIKZYPCST-RISCZKNCSA-N 2 2 280.412 3.046 10 0 CGAELP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCSc3c(F)cccc32)C1 ZINC000389500869 542608603 /nfs/dbraw/zinc/60/86/03/542608603.db2.gz BZAAIPIKZYPCST-RISCZKNCSA-N 2 2 280.412 3.046 10 0 CGAELP C[C@@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C[N@@H+]1C1CC1 ZINC000129572136 392451801 /nfs/dbraw/zinc/45/18/01/392451801.db2.gz WTTGSTYMCAQITF-JYVUQVBGSA-N 2 2 250.430 3.028 10 0 CGAELP C[C@@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C[N@H+]1C1CC1 ZINC000129572136 392451806 /nfs/dbraw/zinc/45/18/06/392451806.db2.gz WTTGSTYMCAQITF-JYVUQVBGSA-N 2 2 250.430 3.028 10 0 CGAELP [NH3+]CC[N@@H+](Cc1ccccc1)C[C@H]1CCCCC1(F)F ZINC000381601353 392911340 /nfs/dbraw/zinc/91/13/40/392911340.db2.gz GKCKRLKSGNXTCL-OAHLLOKOSA-N 2 2 282.378 3.273 10 0 CGAELP [NH3+]CC[N@H+](Cc1ccccc1)C[C@H]1CCCCC1(F)F ZINC000381601353 392911345 /nfs/dbraw/zinc/91/13/45/392911345.db2.gz GKCKRLKSGNXTCL-OAHLLOKOSA-N 2 2 282.378 3.273 10 0 CGAELP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[N@H+](CC)C1 ZINC000116386596 287157344 /nfs/dbraw/zinc/15/73/44/287157344.db2.gz BYHFLDRWJKVNGK-IAGOWNOFSA-N 2 2 260.425 3.082 10 0 CGAELP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[N@@H+](CC)C1 ZINC000116386596 287157346 /nfs/dbraw/zinc/15/73/46/287157346.db2.gz BYHFLDRWJKVNGK-IAGOWNOFSA-N 2 2 260.425 3.082 10 0 CGAELP CCCOc1ccc([C@@H](C[NH3+])[N@H+](C)CC(C)C)cc1 ZINC000020226552 171091825 /nfs/dbraw/zinc/09/18/25/171091825.db2.gz TWLRFYJVYKTCKY-MRXNPFEDSA-N 2 2 264.413 3.063 10 0 CGAELP CCCOc1ccc([C@@H](C[NH3+])[N@@H+](C)CC(C)C)cc1 ZINC000020226552 171091827 /nfs/dbraw/zinc/09/18/27/171091827.db2.gz TWLRFYJVYKTCKY-MRXNPFEDSA-N 2 2 264.413 3.063 10 0 CGAELP C[C@H]1CCC[N@@H+]([C@@]2(C[NH3+])C[C@@H](C)CC(C)(C)C2)C1 ZINC000021513411 171311357 /nfs/dbraw/zinc/31/13/57/171311357.db2.gz CGLNXMNYJDKPTC-DZKIICNBSA-N 2 2 252.446 3.262 10 0 CGAELP C[C@H]1CCC[N@H+]([C@@]2(C[NH3+])C[C@@H](C)CC(C)(C)C2)C1 ZINC000021513411 171311359 /nfs/dbraw/zinc/31/13/59/171311359.db2.gz CGLNXMNYJDKPTC-DZKIICNBSA-N 2 2 252.446 3.262 10 0 CGAELP CC(C)CC[C@@](C)(C[NH3+])[N@H+](C)Cc1ccsc1 ZINC000035719048 172373572 /nfs/dbraw/zinc/37/35/72/172373572.db2.gz HNPYIHACXIRAJB-AWEZNQCLSA-N 2 2 254.443 3.334 10 0 CGAELP CC(C)CC[C@@](C)(C[NH3+])[N@@H+](C)Cc1ccsc1 ZINC000035719048 172373573 /nfs/dbraw/zinc/37/35/73/172373573.db2.gz HNPYIHACXIRAJB-AWEZNQCLSA-N 2 2 254.443 3.334 10 0 CGAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000126683588 287270799 /nfs/dbraw/zinc/27/07/99/287270799.db2.gz FBBGPXIBKVDTRZ-IAGOWNOFSA-N 2 2 294.870 3.373 10 0 CGAELP [NH3+]C[C@@H](c1cccc(Cl)c1)[NH+]1CCCCCC1 ZINC000038808914 174155908 /nfs/dbraw/zinc/15/59/08/174155908.db2.gz CTEZAIZMNVWTRR-AWEZNQCLSA-N 2 2 252.789 3.216 10 0 CGAELP CCCOc1ccc([C@@H](C[NH3+])[NH+]2CCC(C)CC2)cc1 ZINC000039789143 174173386 /nfs/dbraw/zinc/17/33/86/174173386.db2.gz LQGIJKOZLSFDNR-QGZVFWFLSA-N 2 2 276.424 3.207 10 0 CGAELP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2nc3ccccc3s2)C1 ZINC000045134691 175312926 /nfs/dbraw/zinc/31/29/26/175312926.db2.gz GKDXWMKLKKVKTO-ZDUSSCGKSA-N 2 2 289.448 3.116 10 0 CGAELP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2nc3ccccc3s2)C1 ZINC000045134691 175312927 /nfs/dbraw/zinc/31/29/27/175312927.db2.gz GKDXWMKLKKVKTO-ZDUSSCGKSA-N 2 2 289.448 3.116 10 0 CGAELP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccc(Cl)s2)n1C ZINC000657300038 419245707 /nfs/dbraw/zinc/24/57/07/419245707.db2.gz GLQGVYKCSWRUEO-QMMMGPOBSA-N 2 2 269.801 3.294 10 0 CGAELP Cc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)c(C)c1 ZINC000657317293 419249472 /nfs/dbraw/zinc/24/94/72/419249472.db2.gz BJMHXNNCRIJMEB-CQSZACIVSA-N 2 2 269.392 3.297 10 0 CGAELP COc1ccc([C@@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000037167129 270028751 /nfs/dbraw/zinc/02/87/51/270028751.db2.gz UAZVALKDDXIPDG-ZBFHGGJFSA-N 2 2 278.440 3.322 10 0 CGAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000037166554 270028909 /nfs/dbraw/zinc/02/89/09/270028909.db2.gz AHSUILRVCUWZPS-WBVHZDCISA-N 2 2 262.441 3.356 10 0 CGAELP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000042277137 270032180 /nfs/dbraw/zinc/03/21/80/270032180.db2.gz YHZWXCSLHOJFSA-BHIYHBOVSA-N 2 2 286.463 3.472 10 0 CGAELP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000042277137 270032183 /nfs/dbraw/zinc/03/21/83/270032183.db2.gz YHZWXCSLHOJFSA-BHIYHBOVSA-N 2 2 286.463 3.472 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)CCc2ccc(OC)cc2)C1 ZINC000250224609 270091264 /nfs/dbraw/zinc/09/12/64/270091264.db2.gz FFZWRINQBMBEOM-NVXWUHKLSA-N 2 2 290.451 3.090 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)CCc2ccc(OC)cc2)C1 ZINC000250224609 270091265 /nfs/dbraw/zinc/09/12/65/270091265.db2.gz FFZWRINQBMBEOM-NVXWUHKLSA-N 2 2 290.451 3.090 10 0 CGAELP CC[C@H]([NH2+][C@H](C[NH+](C)C)c1ccccc1)[C@H]1C[C@H]1C ZINC000321173130 270093193 /nfs/dbraw/zinc/09/31/93/270093193.db2.gz YPPYYPVPWXOWSL-BSWAZPDLSA-N 2 2 260.425 3.314 10 0 CGAELP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cccc2c1OC(C)(C)C2 ZINC000080510008 278227664 /nfs/dbraw/zinc/22/76/64/278227664.db2.gz RWACXXOURBXMGC-BBRMVZONSA-N 2 2 288.435 3.102 10 0 CGAELP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cccc2c1OC(C)(C)C2 ZINC000080510008 278227665 /nfs/dbraw/zinc/22/76/65/278227665.db2.gz RWACXXOURBXMGC-BBRMVZONSA-N 2 2 288.435 3.102 10 0 CGAELP Cc1nc(N[C@@H](C)C[N@H+](C)Cc2ccccc2)c(C)c(C)[nH+]1 ZINC000302021324 293228872 /nfs/dbraw/zinc/22/88/72/293228872.db2.gz OASBOXZUBTWHGA-ZDUSSCGKSA-N 2 2 298.434 3.334 10 0 CGAELP Cc1nc(N[C@@H](C)C[N@@H+](C)Cc2ccccc2)c(C)c(C)[nH+]1 ZINC000302021324 293228873 /nfs/dbraw/zinc/22/88/73/293228873.db2.gz OASBOXZUBTWHGA-ZDUSSCGKSA-N 2 2 298.434 3.334 10 0 CGAELP CC(C)c1cc(NCC2CC[NH2+]CC2)nc(C(C)C)[nH+]1 ZINC000070456070 336143422 /nfs/dbraw/zinc/14/34/22/336143422.db2.gz XZOCUALGIRZNFP-UHFFFAOYSA-N 2 2 276.428 3.135 10 0 CGAELP CC(C)C1CCC(C[NH3+])([NH+]2CCC(C)CC2)CC1 ZINC000054556917 519561059 /nfs/dbraw/zinc/56/10/59/519561059.db2.gz CFTQWUNEUWAJJG-UHFFFAOYSA-N 2 2 252.446 3.262 10 0 CGAELP CCCC1CC[NH+]([C@H]2CCCCC[C@H]2[NH2+]C)CC1 ZINC000050893442 519903329 /nfs/dbraw/zinc/90/33/29/519903329.db2.gz MRXQETWLIFGECC-CVEARBPZSA-N 2 2 252.446 3.419 10 0 CGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C(C1CC1)C1CC1 ZINC000157564225 525020596 /nfs/dbraw/zinc/02/05/96/525020596.db2.gz YVLIVBMEDSLOCG-KDOFPFPSSA-N 2 2 299.462 3.070 10 0 CGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C(C1CC1)C1CC1 ZINC000157564225 525020608 /nfs/dbraw/zinc/02/06/08/525020608.db2.gz YVLIVBMEDSLOCG-KDOFPFPSSA-N 2 2 299.462 3.070 10 0 CGAELP c1ccc(C[C@H]2C[N@@H+](C3CCCCC3)CCC[NH2+]2)cc1 ZINC000062666581 526476935 /nfs/dbraw/zinc/47/69/35/526476935.db2.gz UWNYPZKLAHSMET-KRWDZBQOSA-N 2 2 272.436 3.226 10 0 CGAELP c1ccc(C[C@H]2C[N@H+](C3CCCCC3)CCC[NH2+]2)cc1 ZINC000062666581 526476937 /nfs/dbraw/zinc/47/69/37/526476937.db2.gz UWNYPZKLAHSMET-KRWDZBQOSA-N 2 2 272.436 3.226 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCc2cccs2)C1 ZINC000106212395 636158805 /nfs/dbraw/zinc/15/88/05/636158805.db2.gz DFFPYLYMJDLBDG-AWEZNQCLSA-N 2 2 289.448 3.387 10 0 CGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCc2cccs2)C1 ZINC000106212395 636158807 /nfs/dbraw/zinc/15/88/07/636158807.db2.gz DFFPYLYMJDLBDG-AWEZNQCLSA-N 2 2 289.448 3.387 10 0 CGAELP CCC[NH2+]Cc1sc(C[NH+](C)C)nc1C(C)(C)C ZINC000082443000 178021768 /nfs/dbraw/zinc/02/17/68/178021768.db2.gz DRPUBYWBJHEUTQ-UHFFFAOYSA-N 2 2 269.458 3.002 10 0 CGAELP COc1ccc(C[C@H](C)[NH2+][C@H](CC(C)C)C[NH+](C)C)cc1 ZINC000037167302 344948158 /nfs/dbraw/zinc/94/81/58/344948158.db2.gz NGKZABHXXJNEPD-DOTOQJQBSA-N 2 2 292.467 3.192 10 0 CGAELP Fc1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)ccc1Cl ZINC000188410195 542248207 /nfs/dbraw/zinc/24/82/07/542248207.db2.gz YNKZYPJUITTWRQ-CYBMUJFWSA-N 2 2 293.773 3.340 10 0 CGAELP Fc1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)ccc1Cl ZINC000188410195 542248210 /nfs/dbraw/zinc/24/82/10/542248210.db2.gz YNKZYPJUITTWRQ-CYBMUJFWSA-N 2 2 293.773 3.340 10 0 CGAELP c1ccc(C[NH2+][C@@H]2CC[NH2+]Cc3ccccc32)cc1 ZINC000128835429 346044173 /nfs/dbraw/zinc/04/41/73/346044173.db2.gz BCTBFZCCJZWTSA-QGZVFWFLSA-N 2 2 252.361 3.011 10 0 CGAELP Cc1cc2ccccc2[nH+]c1NC[C@]1(C)CCC[NH2+]C1 ZINC000129341049 346048230 /nfs/dbraw/zinc/04/82/30/346048230.db2.gz MDLJSTYVZPVDKV-QGZVFWFLSA-N 2 2 269.392 3.345 10 0 CGAELP CCC[C@]1(C[N@H+](C)Cc2scnc2C)CCC[NH2+]C1 ZINC000104444519 186004092 /nfs/dbraw/zinc/00/40/92/186004092.db2.gz OCCUHPOWWSSMRF-HNNXBMFYSA-N 2 2 281.469 3.053 10 0 CGAELP CCC[C@]1(C[N@@H+](C)Cc2scnc2C)CCC[NH2+]C1 ZINC000104444519 186004094 /nfs/dbraw/zinc/00/40/94/186004094.db2.gz OCCUHPOWWSSMRF-HNNXBMFYSA-N 2 2 281.469 3.053 10 0 CGAELP C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)o1 ZINC000127740696 138390758 /nfs/dbraw/zinc/39/07/58/138390758.db2.gz BFNUOYBJMBRWQH-RHSMWYFYSA-N 2 2 288.435 3.463 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(C)c1 ZINC000180126274 189238300 /nfs/dbraw/zinc/23/83/00/189238300.db2.gz YDUZMMRORRRSDN-INIZCTEOSA-N 2 2 287.382 3.304 10 0 CGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(F)c(C)c1 ZINC000180126274 189238301 /nfs/dbraw/zinc/23/83/01/189238301.db2.gz YDUZMMRORRRSDN-INIZCTEOSA-N 2 2 287.382 3.304 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ncc(C)s2)C1 ZINC000180481272 189257517 /nfs/dbraw/zinc/25/75/17/189257517.db2.gz ILTRFPDPRYXKCU-CYBMUJFWSA-N 2 2 290.436 3.048 10 0 CGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ncc(C)s2)C1 ZINC000180481272 189257518 /nfs/dbraw/zinc/25/75/18/189257518.db2.gz ILTRFPDPRYXKCU-CYBMUJFWSA-N 2 2 290.436 3.048 10 0 CGAELP Clc1ccc(CC[NH2+]CC[NH+]2CCCC2)cc1Cl ZINC000019364458 368750544 /nfs/dbraw/zinc/75/05/44/368750544.db2.gz KFLJZQLENAVFAL-UHFFFAOYSA-N 2 2 287.234 3.221 10 0 CGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CCc2ccc(OC)cc2)C1 ZINC000040502760 369157401 /nfs/dbraw/zinc/15/74/01/369157401.db2.gz FFZWRINQBMBEOM-DOTOQJQBSA-N 2 2 290.451 3.090 10 0 CGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CCc2ccc(OC)cc2)C1 ZINC000040502760 369157406 /nfs/dbraw/zinc/15/74/06/369157406.db2.gz FFZWRINQBMBEOM-DOTOQJQBSA-N 2 2 290.451 3.090 10 0 CGAELP CCCC1CCC([NH2+][C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000040502495 369157845 /nfs/dbraw/zinc/15/78/45/369157845.db2.gz MAHAXUUAKBXOER-UYSNPLJNSA-N 2 2 252.446 3.419 10 0 CGAELP CCCC1CCC([NH2+][C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000040502495 369157849 /nfs/dbraw/zinc/15/78/49/369157849.db2.gz MAHAXUUAKBXOER-UYSNPLJNSA-N 2 2 252.446 3.419 10 0 CGAELP c1ccc(CCC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171643608 372799370 /nfs/dbraw/zinc/79/93/70/372799370.db2.gz JODNPVFHWSBWFW-SFHVURJKSA-N 2 2 295.430 3.448 10 0 CGAELP c1ccc(CCC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171643608 372799376 /nfs/dbraw/zinc/79/93/76/372799376.db2.gz JODNPVFHWSBWFW-SFHVURJKSA-N 2 2 295.430 3.448 10 0 CGAELP C[C@H](C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)Cn1cc[nH+]c1 ZINC000174318313 373291133 /nfs/dbraw/zinc/29/11/33/373291133.db2.gz UDMCZUPKYMSBNB-RBSFLKMASA-N 2 2 263.429 3.324 10 0 CGAELP ClC(Cl)(Cl)CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000184569776 374540393 /nfs/dbraw/zinc/54/03/93/374540393.db2.gz IINPBYPCAAXQGQ-NSHDSACASA-N 2 2 299.673 3.164 10 0 CGAELP ClC(Cl)(Cl)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000184569776 374540398 /nfs/dbraw/zinc/54/03/98/374540398.db2.gz IINPBYPCAAXQGQ-NSHDSACASA-N 2 2 299.673 3.164 10 0 CGAELP Fc1ccc(F)c([C@@H]2CCC[N@H+](CCn3cc[nH+]c3)C2)c1 ZINC000191675468 375651108 /nfs/dbraw/zinc/65/11/08/375651108.db2.gz GXNVDGNDBPLYCM-CYBMUJFWSA-N 2 2 291.345 3.041 10 0 CGAELP Fc1ccc(F)c([C@@H]2CCC[N@@H+](CCn3cc[nH+]c3)C2)c1 ZINC000191675468 375651115 /nfs/dbraw/zinc/65/11/15/375651115.db2.gz GXNVDGNDBPLYCM-CYBMUJFWSA-N 2 2 291.345 3.041 10 0 CGAELP C[C@@H]1CC[N@H+](Cc2cccc3[nH]ccc32)C[C@H]1n1cc[nH+]c1 ZINC000247279770 377187817 /nfs/dbraw/zinc/18/78/17/377187817.db2.gz YNCONFKWWCUXIP-RDTXWAMCSA-N 2 2 294.402 3.448 10 0 CGAELP C[C@@H]1CC[N@@H+](Cc2cccc3[nH]ccc32)C[C@H]1n1cc[nH+]c1 ZINC000247279770 377187824 /nfs/dbraw/zinc/18/78/24/377187824.db2.gz YNCONFKWWCUXIP-RDTXWAMCSA-N 2 2 294.402 3.448 10 0 CGAELP COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1C ZINC000248750965 377395562 /nfs/dbraw/zinc/39/55/62/377395562.db2.gz BYQRFUFLAXCQOE-PBHICJAKSA-N 2 2 299.418 3.283 10 0 CGAELP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1C ZINC000248750965 377395571 /nfs/dbraw/zinc/39/55/71/377395571.db2.gz BYQRFUFLAXCQOE-PBHICJAKSA-N 2 2 299.418 3.283 10 0 CGAELP CC[C@H](C)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000249500197 377508401 /nfs/dbraw/zinc/50/84/01/377508401.db2.gz HNACVIWBZVQBOE-ZFWWWQNUSA-N 2 2 295.496 3.251 10 0 CGAELP CC[C@H](C)C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000249500197 377508410 /nfs/dbraw/zinc/50/84/10/377508410.db2.gz HNACVIWBZVQBOE-ZFWWWQNUSA-N 2 2 295.496 3.251 10 0 CGAELP CC[C@H](C)C[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000249500197 377508417 /nfs/dbraw/zinc/50/84/17/377508417.db2.gz HNACVIWBZVQBOE-ZFWWWQNUSA-N 2 2 295.496 3.251 10 0 CGAELP CC[C@H](C)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000249500197 377508424 /nfs/dbraw/zinc/50/84/24/377508424.db2.gz HNACVIWBZVQBOE-ZFWWWQNUSA-N 2 2 295.496 3.251 10 0 CGAELP Fc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)c(Cl)c1 ZINC000177101205 542189624 /nfs/dbraw/zinc/18/96/24/542189624.db2.gz WCFKMSCSIRYELV-AWEZNQCLSA-N 2 2 293.773 3.340 10 0 CGAELP Fc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c(Cl)c1 ZINC000177101205 542189629 /nfs/dbraw/zinc/18/96/29/542189629.db2.gz WCFKMSCSIRYELV-AWEZNQCLSA-N 2 2 293.773 3.340 10 0 CGAELP CSc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000185223180 542238119 /nfs/dbraw/zinc/23/81/19/542238119.db2.gz RWNPEQKISYOZLQ-OAHLLOKOSA-N 2 2 287.432 3.270 10 0 CGAELP CSc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000185223180 542238123 /nfs/dbraw/zinc/23/81/23/542238123.db2.gz RWNPEQKISYOZLQ-OAHLLOKOSA-N 2 2 287.432 3.270 10 0 CGAELP Fc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1Cl ZINC000185222742 542238696 /nfs/dbraw/zinc/23/86/96/542238696.db2.gz YHTYXNBBOLUANT-ZDUSSCGKSA-N 2 2 293.773 3.340 10 0 CGAELP Fc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1Cl ZINC000185222742 542238701 /nfs/dbraw/zinc/23/87/01/542238701.db2.gz YHTYXNBBOLUANT-ZDUSSCGKSA-N 2 2 293.773 3.340 10 0 CGAELP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)o1 ZINC000227536931 542294497 /nfs/dbraw/zinc/29/44/97/542294497.db2.gz ZNKTWGOZVHAKQA-GLQYFDAESA-N 2 2 256.349 3.383 10 0 CGAELP C[C@H]([NH2+][C@@H](C[NH+](C)C)c1ccccc1)C1CCCC1 ZINC000054077623 286940789 /nfs/dbraw/zinc/94/07/89/286940789.db2.gz OLDMUBPXGRSALY-YOEHRIQHSA-N 2 2 260.425 3.458 10 0 CGAELP CC(C)[C@@H](C)C[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000081046581 287070110 /nfs/dbraw/zinc/07/01/10/287070110.db2.gz YWXULKYAYQCTRA-FUHWJXTLSA-N 2 2 274.452 3.185 10 0 CGAELP CC(C)[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000081046581 287070112 /nfs/dbraw/zinc/07/01/12/287070112.db2.gz YWXULKYAYQCTRA-FUHWJXTLSA-N 2 2 274.452 3.185 10 0 CGAELP CC(C)[C@H](C)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000090050869 165223393 /nfs/dbraw/zinc/22/33/93/165223393.db2.gz MTHMWECQUAFXLW-ZDUSSCGKSA-N 2 2 259.397 3.140 10 0 CGAELP CC[N@H+](Cc1ccccc1)[C@@H](C[NH3+])c1ccccc1 ZINC000020225358 171088614 /nfs/dbraw/zinc/08/86/14/171088614.db2.gz XTDDJDBVWZTSQN-KRWDZBQOSA-N 2 2 254.377 3.209 10 0 CGAELP CC[N@@H+](Cc1ccccc1)[C@@H](C[NH3+])c1ccccc1 ZINC000020225358 171088615 /nfs/dbraw/zinc/08/86/15/171088615.db2.gz XTDDJDBVWZTSQN-KRWDZBQOSA-N 2 2 254.377 3.209 10 0 CGAELP CCCOc1ccc([C@H](C[NH3+])[N@H+](C)CC(C)(C)C)cc1 ZINC000020226557 171091333 /nfs/dbraw/zinc/09/13/33/171091333.db2.gz TYCOQSZFCIFVGB-INIZCTEOSA-N 2 2 278.440 3.453 10 0 CGAELP CCCOc1ccc([C@H](C[NH3+])[N@@H+](C)CC(C)(C)C)cc1 ZINC000020226557 171091334 /nfs/dbraw/zinc/09/13/34/171091334.db2.gz TYCOQSZFCIFVGB-INIZCTEOSA-N 2 2 278.440 3.453 10 0 CGAELP Clc1ccc(/C=C/C[NH2+][C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000020477358 171221171 /nfs/dbraw/zinc/22/11/71/171221171.db2.gz OQZXOPRLLTUGON-XGBNDESESA-N 2 2 276.811 3.037 10 0 CGAELP CCCCC[C@@H](C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000020520567 171233877 /nfs/dbraw/zinc/23/38/77/171233877.db2.gz JMLSUBSJFZXXGZ-ZDUSSCGKSA-N 2 2 252.427 3.014 10 0 CGAELP CCCCC[C@@H](C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000020520567 171233879 /nfs/dbraw/zinc/23/38/79/171233879.db2.gz JMLSUBSJFZXXGZ-ZDUSSCGKSA-N 2 2 252.427 3.014 10 0 CGAELP Cc1ccsc1[C@H](C[NH3+])[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000022170334 171367803 /nfs/dbraw/zinc/36/78/03/171367803.db2.gz HIDAEQAKGHEAGL-WZRBSPASSA-N 2 2 252.427 3.034 10 0 CGAELP Cc1ccc([C@@H]([NH3+])C[N@@H+]2CCc3ccccc3C2)c(C)c1 ZINC000022565958 171391927 /nfs/dbraw/zinc/39/19/27/171391927.db2.gz NBJYEJLBTBROGX-IBGZPJMESA-N 2 2 280.415 3.362 10 0 CGAELP Cc1ccc([C@@H]([NH3+])C[N@H+]2CCc3ccccc3C2)c(C)c1 ZINC000022565958 171391928 /nfs/dbraw/zinc/39/19/28/171391928.db2.gz NBJYEJLBTBROGX-IBGZPJMESA-N 2 2 280.415 3.362 10 0 CGAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1c(Cl)cccc1Cl ZINC000035504279 172238328 /nfs/dbraw/zinc/23/83/28/172238328.db2.gz LPQVPZDTEWUOPT-JTQLQIEISA-N 2 2 270.163 3.220 10 0 CGAELP CC[NH+]1CCC([NH2+][C@@H]2CSCc3ccccc32)CC1 ZINC000038098211 174113757 /nfs/dbraw/zinc/11/37/57/174113757.db2.gz COOLYSXRDKAWMS-MRXNPFEDSA-N 2 2 276.449 3.048 10 0 CGAELP C[N@H+](CC(C)(C)C)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000045065482 175299719 /nfs/dbraw/zinc/29/97/19/175299719.db2.gz RLKZWIYFSYLNJQ-VIFPVBQESA-N 2 2 260.834 3.379 10 0 CGAELP C[N@@H+](CC(C)(C)C)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000045065482 175299720 /nfs/dbraw/zinc/29/97/20/175299720.db2.gz RLKZWIYFSYLNJQ-VIFPVBQESA-N 2 2 260.834 3.379 10 0 CGAELP Cc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)cc1C ZINC000657337520 419254425 /nfs/dbraw/zinc/25/44/25/419254425.db2.gz YEHJFOWAFFXEHP-CQSZACIVSA-N 2 2 269.392 3.297 10 0 CGAELP CCCCC[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671132 270029965 /nfs/dbraw/zinc/02/99/65/270029965.db2.gz WVXFONRKOCCEOL-KRWDZBQOSA-N 2 2 260.425 3.083 10 0 CGAELP CCCCC[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671132 270029966 /nfs/dbraw/zinc/02/99/66/270029966.db2.gz WVXFONRKOCCEOL-KRWDZBQOSA-N 2 2 260.425 3.083 10 0 CGAELP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000321534414 270093415 /nfs/dbraw/zinc/09/34/15/270093415.db2.gz PRDVSXZRORAQHF-HWMZRRJGSA-N 2 2 260.425 3.141 10 0 CGAELP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000321534414 270093416 /nfs/dbraw/zinc/09/34/16/270093416.db2.gz PRDVSXZRORAQHF-HWMZRRJGSA-N 2 2 260.425 3.141 10 0 CGAELP C[C@@H]1CCCC[C@H]1[NH2+][C@H](C[NH+](C)C)c1ccccc1 ZINC000252087425 287838679 /nfs/dbraw/zinc/83/86/79/287838679.db2.gz DAUSYHNBGKSOOU-DJIMGWMZSA-N 2 2 260.425 3.458 10 0 CGAELP CC[N@@H+]1CCC[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000085126042 276375997 /nfs/dbraw/zinc/37/59/97/276375997.db2.gz HTGJVKSFBZQXEG-BPCQOVAHSA-N 2 2 278.362 3.181 10 0 CGAELP CC[N@H+]1CCC[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000085126042 276375999 /nfs/dbraw/zinc/37/59/99/276375999.db2.gz HTGJVKSFBZQXEG-BPCQOVAHSA-N 2 2 278.362 3.181 10 0 CGAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000396547934 288013723 /nfs/dbraw/zinc/01/37/23/288013723.db2.gz CWNDGSLAFGYVJK-MISXGVKJSA-N 2 2 286.341 3.497 10 0 CGAELP Cc1[nH+]cc(C[NH2+][C@@H]2CCCCc3ccccc32)n1C ZINC000571298970 322295273 /nfs/dbraw/zinc/29/52/73/322295273.db2.gz IYOMYDGYJOGYOW-QGZVFWFLSA-N 2 2 269.392 3.286 10 0 CGAELP CC(C)[N@H+](Cc1cccs1)[C@@H](C)C[NH2+]C1CC1 ZINC000052544923 519661656 /nfs/dbraw/zinc/66/16/56/519661656.db2.gz UGLTYTXUDFARMU-LBPRGKRZSA-N 2 2 252.427 3.099 10 0 CGAELP CC(C)[N@@H+](Cc1cccs1)[C@@H](C)C[NH2+]C1CC1 ZINC000052544923 519661657 /nfs/dbraw/zinc/66/16/57/519661657.db2.gz UGLTYTXUDFARMU-LBPRGKRZSA-N 2 2 252.427 3.099 10 0 CGAELP CC[N@H+]([C@H](C[NH3+])c1csc2ccccc12)C1CC1 ZINC000054463987 521477026 /nfs/dbraw/zinc/47/70/26/521477026.db2.gz XZCXRLWWESYFAX-CQSZACIVSA-N 2 2 260.406 3.385 10 0 CGAELP CC[N@@H+]([C@H](C[NH3+])c1csc2ccccc12)C1CC1 ZINC000054463987 521477031 /nfs/dbraw/zinc/47/70/31/521477031.db2.gz XZCXRLWWESYFAX-CQSZACIVSA-N 2 2 260.406 3.385 10 0 CGAELP CCCC1CC[NH+]([C@@]2(C[NH3+])CCC[C@@H](C)C2)CC1 ZINC000050893304 519903156 /nfs/dbraw/zinc/90/31/56/519903156.db2.gz CIVUOKMTVOZGDE-ZBFHGGJFSA-N 2 2 252.446 3.406 10 0 CGAELP CC[NH2+]C(C)(C)C[N@H+](C)Cc1ccc(Br)cc1 ZINC000061299761 519908398 /nfs/dbraw/zinc/90/83/98/519908398.db2.gz RXNXNMUVXVZQMY-UHFFFAOYSA-N 2 2 299.256 3.269 10 0 CGAELP CC[NH2+]C(C)(C)C[N@@H+](C)Cc1ccc(Br)cc1 ZINC000061299761 519908403 /nfs/dbraw/zinc/90/84/03/519908403.db2.gz RXNXNMUVXVZQMY-UHFFFAOYSA-N 2 2 299.256 3.269 10 0 CGAELP CCC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2cc(C)sc2C)C1 ZINC000049508941 520021980 /nfs/dbraw/zinc/02/19/80/520021980.db2.gz ZSRDPLZEIVPHEW-GXTWGEPZSA-N 2 2 266.454 3.500 10 0 CGAELP CCC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2cc(C)sc2C)C1 ZINC000049508941 520021986 /nfs/dbraw/zinc/02/19/86/520021986.db2.gz ZSRDPLZEIVPHEW-GXTWGEPZSA-N 2 2 266.454 3.500 10 0 CGAELP CC[N@H+](Cc1cccs1)[C@@H](C)C[NH2+]C(C)(C)C ZINC000052546288 521410418 /nfs/dbraw/zinc/41/04/18/521410418.db2.gz HSQVXQFMYCTOPZ-LBPRGKRZSA-N 2 2 254.443 3.347 10 0 CGAELP CC[N@@H+](Cc1cccs1)[C@@H](C)C[NH2+]C(C)(C)C ZINC000052546288 521410425 /nfs/dbraw/zinc/41/04/25/521410425.db2.gz HSQVXQFMYCTOPZ-LBPRGKRZSA-N 2 2 254.443 3.347 10 0 CGAELP C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1[nH+]c(NN)ccc1Cl ZINC000061638474 524162127 /nfs/dbraw/zinc/16/21/27/524162127.db2.gz PVRTYWOOOCFLRK-ZWNOBZJWSA-N 2 2 282.819 3.031 10 0 CGAELP C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1[nH+]c(NN)ccc1Cl ZINC000061638474 524162140 /nfs/dbraw/zinc/16/21/40/524162140.db2.gz PVRTYWOOOCFLRK-ZWNOBZJWSA-N 2 2 282.819 3.031 10 0 CGAELP Cc1[nH+]c(Nc2ccccc2)nc(N[C@H]2CCC[NH2+]C2)c1C ZINC000045947891 527004878 /nfs/dbraw/zinc/00/48/78/527004878.db2.gz LMJWILBHLQCNHN-HNNXBMFYSA-N 2 2 297.406 3.001 10 0 CGAELP Cc1[nH+]cn(-c2ccccc2C[NH2+]C(C)(C)C)c1C ZINC000062738914 527461162 /nfs/dbraw/zinc/46/11/62/527461162.db2.gz LJWFXRPMNPTEHU-UHFFFAOYSA-N 2 2 257.381 3.377 10 0 CGAELP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1cccc(-n2cc[nH+]c2)c1 ZINC000902812287 621461496 /nfs/dbraw/zinc/46/14/96/621461496.db2.gz RFDPRGXBQAVKMB-YXJHDRRASA-N 2 2 299.418 3.074 10 0 CGAELP