smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(Br)cccc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000171224383 530596374 /nfs/dbraw/zinc/59/63/74/530596374.db2.gz ALQDTCKVJOMBFN-NSHDSACASA-N 1 2 384.274 1.533 10 0 GDAELO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000173887127 530639044 /nfs/dbraw/zinc/63/90/44/530639044.db2.gz UKNIKNXSGZHWAN-RISCZKNCSA-N 1 2 394.946 1.751 10 0 GDAELO CC(C)[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000173887127 530639047 /nfs/dbraw/zinc/63/90/47/530639047.db2.gz UKNIKNXSGZHWAN-RISCZKNCSA-N 1 2 394.946 1.751 10 0 GDAELO CNc1cc(N2CCC[C@@H]2CNS(=O)(=O)c2sc(C)nc2C)nc[nH+]1 ZINC000176952047 530694723 /nfs/dbraw/zinc/69/47/23/530694723.db2.gz MMZDDGUJLLWYCN-GFCCVEGCSA-N 1 2 382.515 1.539 10 0 GDAELO CNc1cc(N2CCC[C@@H]2CNS(=O)(=O)c2sc(C)nc2C)[nH+]cn1 ZINC000176952047 530694725 /nfs/dbraw/zinc/69/47/25/530694725.db2.gz MMZDDGUJLLWYCN-GFCCVEGCSA-N 1 2 382.515 1.539 10 0 GDAELO CS(=O)(=O)c1cc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)s1 ZINC000179948956 530753514 /nfs/dbraw/zinc/75/35/14/530753514.db2.gz RZDJDGBMMMZTLC-SECBINFHSA-N 1 2 384.932 1.274 10 0 GDAELO CS(=O)(=O)c1cc(S(=O)(=O)N2CC[N@H+]3CCC[C@@H]3C2)c(Cl)s1 ZINC000179948956 530753517 /nfs/dbraw/zinc/75/35/17/530753517.db2.gz RZDJDGBMMMZTLC-SECBINFHSA-N 1 2 384.932 1.274 10 0 GDAELO Cc1[nH]cc(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c(=O)c1Br ZINC000183217295 530812109 /nfs/dbraw/zinc/81/21/09/530812109.db2.gz SNMRDVOZHNSYHM-LBPRGKRZSA-N 1 2 384.274 1.652 10 0 GDAELO COc1cc(Br)cc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000185740945 530846347 /nfs/dbraw/zinc/84/63/47/530846347.db2.gz ZVSVCBHZJMSCJP-LBPRGKRZSA-N 1 2 379.276 1.067 10 0 GDAELO COc1cc(Br)cc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000185740945 530846349 /nfs/dbraw/zinc/84/63/49/530846349.db2.gz ZVSVCBHZJMSCJP-LBPRGKRZSA-N 1 2 379.276 1.067 10 0 GDAELO CC(C)(C)OC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000107455732 530854151 /nfs/dbraw/zinc/85/41/51/530854151.db2.gz VQTADYKNQADHEM-OAHLLOKOSA-N 1 2 390.933 1.822 10 0 GDAELO Cc1ncc(C[NH+]2CCN(C(=O)CN(C)C(=O)c3cccs3)CC2)s1 ZINC000110941893 530871402 /nfs/dbraw/zinc/87/14/02/530871402.db2.gz BXKIRFLWDUSEJY-UHFFFAOYSA-N 1 2 378.523 1.929 10 0 GDAELO Cc1cc(Br)ccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000193309652 530983271 /nfs/dbraw/zinc/98/32/71/530983271.db2.gz ZXFWUTGUQJYRSZ-CQSZACIVSA-N 1 2 399.314 1.826 10 0 GDAELO CC(C)[N@H+]1C[C@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)[C@@H](C)C1 ZINC000122269576 530969240 /nfs/dbraw/zinc/96/92/40/530969240.db2.gz IZQBVDWPPCUMIH-FZMZJTMJSA-N 1 2 378.491 1.236 10 0 GDAELO CC(C)[N@@H+]1C[C@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)[C@@H](C)C1 ZINC000122269576 530969243 /nfs/dbraw/zinc/96/92/43/530969243.db2.gz IZQBVDWPPCUMIH-FZMZJTMJSA-N 1 2 378.491 1.236 10 0 GDAELO CN(CC(=O)NC[C@H]1C[N@H+](C)CCO1)C(=O)c1ccc(Br)s1 ZINC000194605519 531006988 /nfs/dbraw/zinc/00/69/88/531006988.db2.gz KFZCLJGQNQETDG-JTQLQIEISA-N 1 2 390.303 1.029 10 0 GDAELO CN(CC(=O)NC[C@H]1C[N@@H+](C)CCO1)C(=O)c1ccc(Br)s1 ZINC000194605519 531006990 /nfs/dbraw/zinc/00/69/90/531006990.db2.gz KFZCLJGQNQETDG-JTQLQIEISA-N 1 2 390.303 1.029 10 0 GDAELO O=C(CCOc1ccc(Cl)cc1Cl)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000126468766 531018882 /nfs/dbraw/zinc/01/88/82/531018882.db2.gz SXQAZTMLBXTDLA-CYBMUJFWSA-N 1 2 377.268 1.572 10 0 GDAELO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000246101626 531063675 /nfs/dbraw/zinc/06/36/75/531063675.db2.gz HNAIWMZDUYBGJC-CABCVRRESA-N 1 2 386.539 1.646 10 0 GDAELO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000246101626 531063678 /nfs/dbraw/zinc/06/36/78/531063678.db2.gz HNAIWMZDUYBGJC-CABCVRRESA-N 1 2 386.539 1.646 10 0 GDAELO O=C1NC[C@H]2C[N@H+]([C@@H]3CCCc4ccc(Br)cc43)CCN2C1=O ZINC000246132383 531063745 /nfs/dbraw/zinc/06/37/45/531063745.db2.gz KWELBBSXBZBKDI-DZGCQCFKSA-N 1 2 378.270 1.469 10 0 GDAELO O=C1NC[C@H]2C[N@@H+]([C@@H]3CCCc4ccc(Br)cc43)CCN2C1=O ZINC000246132383 531063747 /nfs/dbraw/zinc/06/37/47/531063747.db2.gz KWELBBSXBZBKDI-DZGCQCFKSA-N 1 2 378.270 1.469 10 0 GDAELO C[N@@H+]1CCO[C@@H](CNC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000132741380 531083744 /nfs/dbraw/zinc/08/37/44/531083744.db2.gz UHQUZSOSJFOVND-ZDUSSCGKSA-N 1 2 376.284 1.828 10 0 GDAELO C[N@H+]1CCO[C@@H](CNC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000132741380 531083748 /nfs/dbraw/zinc/08/37/48/531083748.db2.gz UHQUZSOSJFOVND-ZDUSSCGKSA-N 1 2 376.284 1.828 10 0 GDAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000132727403 531083791 /nfs/dbraw/zinc/08/37/91/531083791.db2.gz GLMRHDWNAPTDDM-ARFHVFGLSA-N 1 2 383.286 1.362 10 0 GDAELO Cn1cc(C[N@@H+]2CCCN(C(=O)c3cccnc3Br)CC2)cn1 ZINC000135390988 531108811 /nfs/dbraw/zinc/10/88/11/531108811.db2.gz DXRJNVQKLUQLOJ-UHFFFAOYSA-N 1 2 378.274 1.926 10 0 GDAELO Cn1cc(C[N@H+]2CCCN(C(=O)c3cccnc3Br)CC2)cn1 ZINC000135390988 531108814 /nfs/dbraw/zinc/10/88/14/531108814.db2.gz DXRJNVQKLUQLOJ-UHFFFAOYSA-N 1 2 378.274 1.926 10 0 GDAELO O=C(C[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1)N1CCc2sccc2C1 ZINC000135748362 531112034 /nfs/dbraw/zinc/11/20/34/531112034.db2.gz QZKPMTHLCHZERS-OAHLLOKOSA-N 1 2 383.539 1.133 10 0 GDAELO O=C(C[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1)N1CCc2sccc2C1 ZINC000135748362 531112054 /nfs/dbraw/zinc/11/20/54/531112054.db2.gz QZKPMTHLCHZERS-OAHLLOKOSA-N 1 2 383.539 1.133 10 0 GDAELO C[C@@H](CNC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1)[NH+]1CCOCC1 ZINC000151103517 531133363 /nfs/dbraw/zinc/13/33/63/531133363.db2.gz VCMPDFOWDSDIQT-LBPRGKRZSA-N 1 2 376.425 1.062 10 0 GDAELO O=C(CCCOc1ccc(Cl)cc1Cl)NC[C@H](O)C[NH+]1CCOCC1 ZINC000154150533 531178485 /nfs/dbraw/zinc/17/84/85/531178485.db2.gz VDOPUQSBONJTRN-AWEZNQCLSA-N 1 2 391.295 1.962 10 0 GDAELO C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)[NH+]1CCOCC1 ZINC000155916332 531203562 /nfs/dbraw/zinc/20/35/62/531203562.db2.gz WRAUYJKOYAXRBH-NSHDSACASA-N 1 2 394.269 1.741 10 0 GDAELO C[C@H](CNC(=O)c1cc(Cn2cc(Br)cn2)on1)[NH+]1CCOCC1 ZINC000156981169 531205870 /nfs/dbraw/zinc/20/58/70/531205870.db2.gz JLUDGNPCQSXDAO-LLVKDONJSA-N 1 2 398.261 1.132 10 0 GDAELO Cc1nc2ccc(Br)cn2c1C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408317339 531232408 /nfs/dbraw/zinc/23/24/08/531232408.db2.gz WSNPCXXMPDTBRJ-STQMWFEESA-N 1 2 379.258 1.560 10 0 GDAELO Cc1nc2ccc(Br)cn2c1C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408317339 531232412 /nfs/dbraw/zinc/23/24/12/531232412.db2.gz WSNPCXXMPDTBRJ-STQMWFEESA-N 1 2 379.258 1.560 10 0 GDAELO C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3O)[C@@H]2C1 ZINC000408460801 531243667 /nfs/dbraw/zinc/24/36/67/531243667.db2.gz RGXGEBZWLITORQ-YPMHNXCESA-N 1 2 380.388 1.505 10 0 GDAELO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3O)[C@@H]2C1 ZINC000408460801 531243672 /nfs/dbraw/zinc/24/36/72/531243672.db2.gz RGXGEBZWLITORQ-YPMHNXCESA-N 1 2 380.388 1.505 10 0 GDAELO Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccs1)CCC2 ZINC000332675938 532204772 /nfs/dbraw/zinc/20/47/72/532204772.db2.gz BZUKJKMXVAKKPT-QWHCGFSZSA-N 1 2 382.511 1.614 10 0 GDAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)nc2)C[C@H]1C ZINC000160361300 644847906 /nfs/dbraw/zinc/84/79/06/644847906.db2.gz SWTOVZRLSPGHLZ-GFCCVEGCSA-N 1 2 399.289 1.352 10 0 GDAELO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)nc2)C[C@H]1C ZINC000160361300 644847912 /nfs/dbraw/zinc/84/79/12/644847912.db2.gz SWTOVZRLSPGHLZ-GFCCVEGCSA-N 1 2 399.289 1.352 10 0 GDAELO Brc1nc(Br)n(CN2CC[C@@H]([NH+]3CCOCC3)C2)n1 ZINC000175237787 644904681 /nfs/dbraw/zinc/90/46/81/644904681.db2.gz NSZMMFWKRJZCNG-SECBINFHSA-N 1 2 395.099 1.167 10 0 GDAELO C[N@@H+]1CCO[C@@H](CNC(=O)/C=C\c2ccc(I)o2)C1 ZINC000255640495 645111136 /nfs/dbraw/zinc/11/11/36/645111136.db2.gz RYKMRYYZFRIGFU-MZBZXASESA-N 1 2 376.194 1.344 10 0 GDAELO C[N@H+]1CCO[C@@H](CNC(=O)/C=C\c2ccc(I)o2)C1 ZINC000255640495 645111138 /nfs/dbraw/zinc/11/11/38/645111138.db2.gz RYKMRYYZFRIGFU-MZBZXASESA-N 1 2 376.194 1.344 10 0 GDAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)CNC(=O)c3ccc(Br)cc3)C[C@@H]21 ZINC000328870709 645284189 /nfs/dbraw/zinc/28/41/89/645284189.db2.gz DFEGFCXBJCCHLP-GJZGRUSLSA-N 1 2 396.285 1.110 10 0 GDAELO C[N@H+]1CCO[C@H]2CCN(C(=O)CNC(=O)c3ccc(Br)cc3)C[C@@H]21 ZINC000328870709 645284197 /nfs/dbraw/zinc/28/41/97/645284197.db2.gz DFEGFCXBJCCHLP-GJZGRUSLSA-N 1 2 396.285 1.110 10 0 GDAELO O=c1[nH]c(=O)c2cc(S(=O)(=O)NCc3cn4c([nH+]3)CCCC4)ccc2[nH]1 ZINC000263801357 231044213 /nfs/dbraw/zinc/04/42/13/231044213.db2.gz QIMIEMSWPMLBHN-UHFFFAOYSA-N 1 2 375.410 1.052 10 0 GDAELO C[C@@H]1C[N@@H+](C2CCN(S(=O)(=O)c3cc(F)c(F)cc3F)CC2)CCO1 ZINC000170939985 530591904 /nfs/dbraw/zinc/59/19/04/530591904.db2.gz ADGQFMALZDHRMJ-LLVKDONJSA-N 1 2 378.416 1.978 10 0 GDAELO C[C@@H]1C[N@H+](C2CCN(S(=O)(=O)c3cc(F)c(F)cc3F)CC2)CCO1 ZINC000170939985 530591906 /nfs/dbraw/zinc/59/19/06/530591906.db2.gz ADGQFMALZDHRMJ-LLVKDONJSA-N 1 2 378.416 1.978 10 0 GDAELO C[N@@H+]1CCO[C@H](CNS(=O)(=O)/C=C/c2ccc(Br)cc2)C1 ZINC000171107151 530594379 /nfs/dbraw/zinc/59/43/79/530594379.db2.gz BDWJRLVXDMJPJP-VIIAAUOXSA-N 1 2 375.288 1.670 10 0 GDAELO C[N@H+]1CCO[C@H](CNS(=O)(=O)/C=C/c2ccc(Br)cc2)C1 ZINC000171107151 530594381 /nfs/dbraw/zinc/59/43/81/530594381.db2.gz BDWJRLVXDMJPJP-VIIAAUOXSA-N 1 2 375.288 1.670 10 0 GDAELO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1[nH]nc2ccc(Br)cc21 ZINC000172358881 530612210 /nfs/dbraw/zinc/61/22/10/530612210.db2.gz SBNUWMZJUBDCCZ-LBPRGKRZSA-N 1 2 379.258 1.918 10 0 GDAELO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1[nH]nc2ccc(Br)cc21 ZINC000172358881 530612212 /nfs/dbraw/zinc/61/22/12/530612212.db2.gz SBNUWMZJUBDCCZ-LBPRGKRZSA-N 1 2 379.258 1.918 10 0 GDAELO C[C@@H]1CN(S(=O)(=O)c2ccccc2Br)C[C@@H]1[NH+]1CCOCC1 ZINC000176993891 530695156 /nfs/dbraw/zinc/69/51/56/530695156.db2.gz GJMLUNMZSNOGCS-OCCSQVGLSA-N 1 2 389.315 1.790 10 0 GDAELO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000178782246 530728379 /nfs/dbraw/zinc/72/83/79/530728379.db2.gz VLBMSUXGGDBUSP-NSHDSACASA-N 1 2 391.269 1.020 10 0 GDAELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccccc1CSC1=NCCS1 ZINC000178967556 530732536 /nfs/dbraw/zinc/73/25/36/530732536.db2.gz WFIWWVZKFFVHIX-OAHLLOKOSA-N 1 2 376.551 1.752 10 0 GDAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2c(F)cc(Cl)cc2F)C[C@@H]1C ZINC000180044363 530755701 /nfs/dbraw/zinc/75/57/01/530755701.db2.gz ZXVOXRDTCMPYEE-JTQLQIEISA-N 1 2 375.803 1.736 10 0 GDAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2c(F)cc(Cl)cc2F)C[C@@H]1C ZINC000180044363 530755704 /nfs/dbraw/zinc/75/57/04/530755704.db2.gz ZXVOXRDTCMPYEE-JTQLQIEISA-N 1 2 375.803 1.736 10 0 GDAELO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000179662263 530747035 /nfs/dbraw/zinc/74/70/35/530747035.db2.gz DVQVURUEZGWZAU-GJZGRUSLSA-N 1 2 377.268 1.226 10 0 GDAELO O=S(=O)(Cc1ccc(Cl)cc1Cl)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000181708438 530789126 /nfs/dbraw/zinc/78/91/26/530789126.db2.gz IVKGPOWDZJCJNU-CYBMUJFWSA-N 1 2 383.297 1.106 10 0 GDAELO Cn1cc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2c[nH]c3nccc(Cl)c23)cn1 ZINC000181694718 530789664 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O=C(NC[C@@H](O)C[NH+]1CCOCC1)Nc1cc(F)c(Br)cc1F ZINC000179929146 530753933 /nfs/dbraw/zinc/75/39/33/530753933.db2.gz VHZWNTNZNILPTG-SECBINFHSA-N 1 2 394.216 1.542 10 0 GDAELO C[C@@H]1CN(C(=O)c2cnn3cc(Br)cnc23)C[C@H]1[NH+]1CCOCC1 ZINC000179649681 530746564 /nfs/dbraw/zinc/74/65/64/530746564.db2.gz VYLZBUJXAXHFLP-BXUZGUMPSA-N 1 2 394.273 1.285 10 0 GDAELO C[C@H](CNC(=O)NCCNc1cccc(Br)c1)[NH+]1CCOCC1 ZINC000182330240 530797679 /nfs/dbraw/zinc/79/76/79/530797679.db2.gz WMOUAZOGSWLMDP-CYBMUJFWSA-N 1 2 385.306 1.881 10 0 GDAELO O=S(=O)(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccc(Br)cc1F ZINC000184767470 530831264 /nfs/dbraw/zinc/83/12/64/530831264.db2.gz YIZDANAMZNRDNW-LBPRGKRZSA-N 1 2 393.278 1.730 10 0 GDAELO O=S(=O)(NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccc(Br)cc1F ZINC000184767470 530831267 /nfs/dbraw/zinc/83/12/67/530831267.db2.gz YIZDANAMZNRDNW-LBPRGKRZSA-N 1 2 393.278 1.730 10 0 GDAELO Cc1cc2cc(C(=O)NC[C@H](O)C[NH+]3CCOCC3)oc2c(Br)c1 ZINC000183068100 530809237 /nfs/dbraw/zinc/80/92/37/530809237.db2.gz 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CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F)CC2 ZINC000119226507 530923418 /nfs/dbraw/zinc/92/34/18/530923418.db2.gz WBMVFGIDDIJUDL-ZUZCIYMTSA-N 1 2 396.264 1.873 10 0 GDAELO C[C@@H](CNC(=O)Cc1cccc(I)c1)[NH+]1CCOCC1 ZINC000121905614 530964121 /nfs/dbraw/zinc/96/41/21/530964121.db2.gz HAMYVHJOXOTMIP-LBPRGKRZSA-N 1 2 388.249 1.671 10 0 GDAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1cc(Br)c(F)cc1F ZINC000191922072 530957274 /nfs/dbraw/zinc/95/72/74/530957274.db2.gz LGLSTWLSDGKGAV-VIFPVBQESA-N 1 2 379.201 1.150 10 0 GDAELO Cc1cc(Br)cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cnn(C)c2)c1 ZINC000193310063 530983450 /nfs/dbraw/zinc/98/34/50/530983450.db2.gz ATVSQLUZLLTFRL-OAHLLOKOSA-N 1 2 399.314 1.826 10 0 GDAELO CC[C@@H]1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC[N@@H+]1CCOC ZINC000193759620 530992692 /nfs/dbraw/zinc/99/26/92/530992692.db2.gz QJHHGPVWGKZBFW-SNVBAGLBSA-N 1 2 384.395 1.974 10 0 GDAELO CC[C@@H]1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC[N@H+]1CCOC ZINC000193759620 530992696 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1.150 10 0 GDAELO C[C@@H]1CN(S(=O)(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)[C@@H](C)CO1 ZINC000246705627 531069718 /nfs/dbraw/zinc/06/97/18/531069718.db2.gz ZOJDEUONFCQNKQ-WOSRLPQWSA-N 1 2 375.922 1.886 10 0 GDAELO Cn1cc(Br)cc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c1=O ZINC000285577315 532096050 /nfs/dbraw/zinc/09/60/50/532096050.db2.gz BFHXJVKQZGJNDF-QWHCGFSZSA-N 1 2 385.262 1.085 10 0 GDAELO Cn1cc(Br)cc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c1=O ZINC000285577315 532096053 /nfs/dbraw/zinc/09/60/53/532096053.db2.gz BFHXJVKQZGJNDF-QWHCGFSZSA-N 1 2 385.262 1.085 10 0 GDAELO O=C(C[C@H]1C(=O)NCC[N@H+]1C/C=C/c1ccccc1)NCC1(O)CCCCC1 ZINC000055386525 205149767 /nfs/dbraw/zinc/14/97/67/205149767.db2.gz UUAYUVNHTLGDHJ-VQFGERMISA-N 1 2 385.508 1.702 10 0 GDAELO O=C(C[C@H]1C(=O)NCC[N@@H+]1C/C=C/c1ccccc1)NCC1(O)CCCCC1 ZINC000055386525 205149772 /nfs/dbraw/zinc/14/97/72/205149772.db2.gz UUAYUVNHTLGDHJ-VQFGERMISA-N 1 2 385.508 1.702 10 0 GDAELO CNC(=O)[C@@H](c1ccccc1OC)[N@@H+]1CCC[C@H]1C(=O)NC1CCOCC1 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GDAELO O=C(COc1ccc(Br)cc1F)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114854958 530896762 /nfs/dbraw/zinc/89/67/62/530896762.db2.gz JDYVBVRHMDPBBI-CYBMUJFWSA-N 1 2 387.249 1.946 10 0 GDAELO O=C(COc1ccc(Br)cc1F)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114854958 530896767 /nfs/dbraw/zinc/89/67/67/530896767.db2.gz JDYVBVRHMDPBBI-CYBMUJFWSA-N 1 2 387.249 1.946 10 0 GDAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C)cc2Br)C[C@H]1C ZINC000117522331 530912547 /nfs/dbraw/zinc/91/25/47/530912547.db2.gz UWXWWTJCPQPSCT-CYBMUJFWSA-N 1 2 398.301 1.875 10 0 GDAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C)cc2Br)C[C@H]1C ZINC000117522331 530912550 /nfs/dbraw/zinc/91/25/50/530912550.db2.gz UWXWWTJCPQPSCT-CYBMUJFWSA-N 1 2 398.301 1.875 10 0 GDAELO Cn1nc(Br)cc1C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000192113823 530962286 /nfs/dbraw/zinc/96/22/86/530962286.db2.gz BUSKDQCMKQHCSE-HNNXBMFYSA-N 1 2 393.285 1.674 10 0 GDAELO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Br)cc1N1CCOCC1 ZINC000191615679 530951765 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ZINC000329633078 532108646 /nfs/dbraw/zinc/10/86/46/532108646.db2.gz WZFNNQKYNUQRTK-LBPRGKRZSA-N 1 2 375.230 1.819 10 0 GDAELO C[C@@H]1OCC[C@@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000333150349 532222844 /nfs/dbraw/zinc/22/28/44/532222844.db2.gz FRBFNYMQPFKVBR-JQWIXIFHSA-N 1 2 385.262 1.980 10 0 GDAELO COc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCCc1ccccn1 ZINC000012304830 204393443 /nfs/dbraw/zinc/39/34/43/204393443.db2.gz FGQLSRFOQSRYQE-SFHVURJKSA-N 1 2 382.464 1.140 10 0 GDAELO COc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCCc1ccccn1 ZINC000012304830 204393447 /nfs/dbraw/zinc/39/34/47/204393447.db2.gz FGQLSRFOQSRYQE-SFHVURJKSA-N 1 2 382.464 1.140 10 0 GDAELO Cc1csc([C@](O)(CC(=O)NC[C@@H](C)[NH+]2CCOCC2)C(F)(F)F)n1 ZINC000109026522 644621520 /nfs/dbraw/zinc/62/15/20/644621520.db2.gz CCDXZNXCSGOOSZ-BXUZGUMPSA-N 1 2 381.420 1.428 10 0 GDAELO CC(=O)N1CC(NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000135855635 644767312 /nfs/dbraw/zinc/76/73/12/644767312.db2.gz QDWZVUJYHMSCND-INIZCTEOSA-N 1 2 380.286 1.933 10 0 GDAELO O=S1(=O)CC[C@H]2C[N@@H+](C[C@@H](O)COc3cc(Cl)ccc3Cl)C[C@H]21 ZINC000329197564 645302426 /nfs/dbraw/zinc/30/24/26/645302426.db2.gz VHYPVMALWGEDOI-JVLSTEMRSA-N 1 2 380.293 1.852 10 0 GDAELO O=S1(=O)CC[C@H]2C[N@H+](C[C@@H](O)COc3cc(Cl)ccc3Cl)C[C@H]21 ZINC000329197564 645302432 /nfs/dbraw/zinc/30/24/32/645302432.db2.gz VHYPVMALWGEDOI-JVLSTEMRSA-N 1 2 380.293 1.852 10 0 GDAELO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)c1ccc(F)cc1I ZINC000601735061 652600828 /nfs/dbraw/zinc/60/08/28/652600828.db2.gz GNYGAALDYQXGNP-LLVKDONJSA-N 1 2 392.212 1.833 10 0 GDAELO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)c1ccc(F)cc1I ZINC000601735061 652600831 /nfs/dbraw/zinc/60/08/31/652600831.db2.gz GNYGAALDYQXGNP-LLVKDONJSA-N 1 2 392.212 1.833 10 0 GDAELO C[C@@H]1CN(C(=O)c2cc3c(c(Br)c2)OCO3)C[C@H]1[NH+]1CCOCC1 ZINC000173877958 530639093 /nfs/dbraw/zinc/63/90/93/530639093.db2.gz TVPOBXVCUWQXEO-BXUZGUMPSA-N 1 2 397.269 1.971 10 0 GDAELO CNc1cc(N2CCC[C@@H]2CNS(=O)(=O)c2ccc(Cl)nc2)nc[nH+]1 ZINC000173901219 530639210 /nfs/dbraw/zinc/63/92/10/530639210.db2.gz JIPDEZNIBIZUFJ-LLVKDONJSA-N 1 2 382.877 1.514 10 0 GDAELO CNc1cc(N2CCC[C@@H]2CNS(=O)(=O)c2ccc(Cl)nc2)[nH+]cn1 ZINC000173901219 530639212 /nfs/dbraw/zinc/63/92/12/530639212.db2.gz JIPDEZNIBIZUFJ-LLVKDONJSA-N 1 2 382.877 1.514 10 0 GDAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)Nc1ccc(Cl)cc1Br ZINC000179919974 530752769 /nfs/dbraw/zinc/75/27/69/530752769.db2.gz IBZFFICZSWKPRF-NSHDSACASA-N 1 2 392.681 1.917 10 0 GDAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCc3c(Br)ccc(F)c3C2)C1 ZINC000183324030 530813558 /nfs/dbraw/zinc/81/35/58/530813558.db2.gz IGPDMRIOCANNEM-LLVKDONJSA-N 1 2 386.265 1.987 10 0 GDAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCc3c(Br)ccc(F)c3C2)C1 ZINC000183324030 530813559 /nfs/dbraw/zinc/81/35/59/530813559.db2.gz IGPDMRIOCANNEM-LLVKDONJSA-N 1 2 386.265 1.987 10 0 GDAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2ncc(Br)cc2Br)C1 ZINC000183475697 530815629 /nfs/dbraw/zinc/81/56/29/530815629.db2.gz UYKKTHLWTUGGTQ-VIFPVBQESA-N 1 2 393.079 1.667 10 0 GDAELO C[N@H+]1CCO[C@@H](CNC(=O)c2ncc(Br)cc2Br)C1 ZINC000183475697 530815630 /nfs/dbraw/zinc/81/56/30/530815630.db2.gz UYKKTHLWTUGGTQ-VIFPVBQESA-N 1 2 393.079 1.667 10 0 GDAELO NC(=O)[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106171562 530847022 /nfs/dbraw/zinc/84/70/22/530847022.db2.gz IVPXDCBCQMHFBJ-SWLSCSKDSA-N 1 2 378.274 1.979 10 0 GDAELO NC(=O)[C@@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106171562 530847024 /nfs/dbraw/zinc/84/70/24/530847024.db2.gz IVPXDCBCQMHFBJ-SWLSCSKDSA-N 1 2 378.274 1.979 10 0 GDAELO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000111493270 530876067 /nfs/dbraw/zinc/87/60/67/530876067.db2.gz BEELRJJRQMBOSV-ZIAGYGMSSA-N 1 2 397.317 1.658 10 0 GDAELO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000111493270 530876069 /nfs/dbraw/zinc/87/60/69/530876069.db2.gz BEELRJJRQMBOSV-ZIAGYGMSSA-N 1 2 397.317 1.658 10 0 GDAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)Nc1ccc(F)cc1Br ZINC000120034047 530934688 /nfs/dbraw/zinc/93/46/88/530934688.db2.gz BAELVARTRSFKDA-NSHDSACASA-N 1 2 376.226 1.403 10 0 GDAELO C[C@H](CNC(=O)C(=O)Nc1cc(Br)ccc1F)[NH+]1CCOCC1 ZINC000119993939 530934084 /nfs/dbraw/zinc/93/40/84/530934084.db2.gz QZOGUSIQMIOFJJ-SNVBAGLBSA-N 1 2 388.237 1.364 10 0 GDAELO C[C@H](CNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1)[NH+]1CCOCC1 ZINC000190308836 530928031 /nfs/dbraw/zinc/92/80/31/530928031.db2.gz HRBUVPYHNIGAFB-SECBINFHSA-N 1 2 378.231 1.908 10 0 GDAELO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000191969165 530957993 /nfs/dbraw/zinc/95/79/93/530957993.db2.gz XKNFANXIAXDDCF-SNVBAGLBSA-N 1 2 388.237 1.282 10 0 GDAELO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000191969165 530957997 /nfs/dbraw/zinc/95/79/97/530957997.db2.gz XKNFANXIAXDDCF-SNVBAGLBSA-N 1 2 388.237 1.282 10 0 GDAELO CN(C)c1ccc(Br)c(S(=O)(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000120835648 530946515 /nfs/dbraw/zinc/94/65/15/530946515.db2.gz WTEGOUNVIHNVKA-LBPRGKRZSA-N 1 2 392.319 1.124 10 0 GDAELO CN(C)c1ccc(Br)c(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000120835648 530946517 /nfs/dbraw/zinc/94/65/17/530946517.db2.gz WTEGOUNVIHNVKA-LBPRGKRZSA-N 1 2 392.319 1.124 10 0 GDAELO CC[C@](C)(O)C[NH+]1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000123031429 530978796 /nfs/dbraw/zinc/97/87/96/530978796.db2.gz HRGOWMGMSUUDRJ-HNNXBMFYSA-N 1 2 391.331 1.916 10 0 GDAELO CNc1cc(N2CCC[C@@H]2CNC(=O)CSCc2cscn2)nc[nH+]1 ZINC000124151396 530992536 /nfs/dbraw/zinc/99/25/36/530992536.db2.gz HZCPFIAQMKRZHE-CYBMUJFWSA-N 1 2 378.527 1.993 10 0 GDAELO CNc1cc(N2CCC[C@@H]2CNC(=O)CSCc2cscn2)[nH+]cn1 ZINC000124151396 530992538 /nfs/dbraw/zinc/99/25/38/530992538.db2.gz HZCPFIAQMKRZHE-CYBMUJFWSA-N 1 2 378.527 1.993 10 0 GDAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)C[C@@H]1C ZINC000193759467 530992792 /nfs/dbraw/zinc/99/27/92/530992792.db2.gz LLDKUCWZXDWVAZ-JTQLQIEISA-N 1 2 384.395 1.974 10 0 GDAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)C[C@@H]1C ZINC000193759467 530992794 /nfs/dbraw/zinc/99/27/94/530992794.db2.gz LLDKUCWZXDWVAZ-JTQLQIEISA-N 1 2 384.395 1.974 10 0 GDAELO O=C(c1cncc(I)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000124429147 530995776 /nfs/dbraw/zinc/99/57/76/530995776.db2.gz JDDFZUKDMARYHG-ZDUSSCGKSA-N 1 2 387.221 1.233 10 0 GDAELO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@H]3COCC[NH2+]3)sc2C)s1 ZINC000195246352 531019566 /nfs/dbraw/zinc/01/95/66/531019566.db2.gz ZHSWASRCYYQEDH-GFCCVEGCSA-N 1 2 380.495 1.743 10 0 GDAELO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)ncc1Br ZINC000194205088 531001428 /nfs/dbraw/zinc/00/14/28/531001428.db2.gz USDGNBVTPJYBEJ-GFCCVEGCSA-N 1 2 392.257 1.979 10 0 GDAELO O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000194356645 531003568 /nfs/dbraw/zinc/00/35/68/531003568.db2.gz DJEXNBZEZDLEMQ-ZBFHGGJFSA-N 1 2 381.270 1.686 10 0 GDAELO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccncc1I ZINC000130591624 531062416 /nfs/dbraw/zinc/06/24/16/531062416.db2.gz MFIFHYUDRAKOOS-NSHDSACASA-N 1 2 387.221 1.279 10 0 GDAELO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccncc1I ZINC000130591624 531062419 /nfs/dbraw/zinc/06/24/19/531062419.db2.gz MFIFHYUDRAKOOS-NSHDSACASA-N 1 2 387.221 1.279 10 0 GDAELO Cc1cc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)ccc1Br ZINC000246218571 531065153 /nfs/dbraw/zinc/06/51/53/531065153.db2.gz UMNSNUSYAFVRAJ-STQMWFEESA-N 1 2 391.331 1.833 10 0 GDAELO Cc1cc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)ccc1Br ZINC000246218571 531065157 /nfs/dbraw/zinc/06/51/57/531065157.db2.gz UMNSNUSYAFVRAJ-STQMWFEESA-N 1 2 391.331 1.833 10 0 GDAELO C[C@H]1CCN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000248505812 531079186 /nfs/dbraw/zinc/07/91/86/531079186.db2.gz WYZOMOHDPJKUCJ-WCQYABFASA-N 1 2 377.392 1.914 10 0 GDAELO Cc1cccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c1Br ZINC000248646466 531080380 /nfs/dbraw/zinc/08/03/80/531080380.db2.gz HMROLATUURGFEV-CHWSQXEVSA-N 1 2 391.331 1.833 10 0 GDAELO Cc1cccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c1Br ZINC000248646466 531080381 /nfs/dbraw/zinc/08/03/81/531080381.db2.gz HMROLATUURGFEV-CHWSQXEVSA-N 1 2 391.331 1.833 10 0 GDAELO CC[C@H](Cc1ccccc1Br)C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000132461711 531081434 /nfs/dbraw/zinc/08/14/34/531081434.db2.gz FEURCMWEFKDKLM-GDBMZVCRSA-N 1 2 399.329 1.827 10 0 GDAELO CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@@H](O)COc1cccc(Br)c1 ZINC000246806850 531070706 /nfs/dbraw/zinc/07/07/06/531070706.db2.gz RKQVAVHYDJPRTA-TZMCWYRMSA-N 1 2 394.331 1.944 10 0 GDAELO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@@H](O)COc1cccc(Br)c1 ZINC000246806850 531070709 /nfs/dbraw/zinc/07/07/09/531070709.db2.gz RKQVAVHYDJPRTA-TZMCWYRMSA-N 1 2 394.331 1.944 10 0 GDAELO C[C@@H](CNC(=O)c1cncc(I)c1)[NH+]1CCOCC1 ZINC000158104177 531207790 /nfs/dbraw/zinc/20/77/90/531207790.db2.gz JVQKJOLDFKDEQV-JTQLQIEISA-N 1 2 375.210 1.137 10 0 GDAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3n[nH]c4ccc(Br)cc43)C[C@H]21 ZINC000283996883 531918500 /nfs/dbraw/zinc/91/85/00/531918500.db2.gz BHQDDFNXTDLGHW-ZIAGYGMSSA-N 1 2 379.258 1.871 10 0 GDAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3n[nH]c4ccc(Br)cc43)C[C@H]21 ZINC000283996883 531918503 /nfs/dbraw/zinc/91/85/03/531918503.db2.gz BHQDDFNXTDLGHW-ZIAGYGMSSA-N 1 2 379.258 1.871 10 0 GDAELO C[C@H]1C[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CCS1 ZINC000171697808 530601693 /nfs/dbraw/zinc/60/16/93/530601693.db2.gz KBESTFIYNPUKNR-NSHDSACASA-N 1 2 386.315 1.941 10 0 GDAELO C[C@H]1C[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CCS1 ZINC000171697808 530601697 /nfs/dbraw/zinc/60/16/97/530601697.db2.gz KBESTFIYNPUKNR-NSHDSACASA-N 1 2 386.315 1.941 10 0 GDAELO CSc1ncc(Cl)c(C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1 ZINC000171817132 530603570 /nfs/dbraw/zinc/60/35/70/530603570.db2.gz BZUATJAZVYOVJN-UHFFFAOYSA-N 1 2 380.905 1.934 10 0 GDAELO CSc1ncc(Cl)c(C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1 ZINC000171817132 530603571 /nfs/dbraw/zinc/60/35/71/530603571.db2.gz BZUATJAZVYOVJN-UHFFFAOYSA-N 1 2 380.905 1.934 10 0 GDAELO NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCc3cccc(Br)c3C2)C1 ZINC000172405991 530613601 /nfs/dbraw/zinc/61/36/01/530613601.db2.gz INAHEDISVGVATI-CYBMUJFWSA-N 1 2 380.286 1.531 10 0 GDAELO NC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCc3cccc(Br)c3C2)C1 ZINC000172405991 530613603 /nfs/dbraw/zinc/61/36/03/530613603.db2.gz INAHEDISVGVATI-CYBMUJFWSA-N 1 2 380.286 1.531 10 0 GDAELO NC(=O)[C@@H]1CCCN(C(=O)C[NH+]2CCN(Cc3ccc(Cl)s3)CC2)C1 ZINC000026857722 530586916 /nfs/dbraw/zinc/58/69/16/530586916.db2.gz RFLLDAWNVXWOEU-CYBMUJFWSA-N 1 2 384.933 1.243 10 0 GDAELO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173351905 530628838 /nfs/dbraw/zinc/62/88/38/530628838.db2.gz ZWKQEDIBGZIYPV-ZDUSSCGKSA-N 1 2 396.285 1.629 10 0 GDAELO CC(C)[N@H+]1C[C@H](NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)[C@@H](C)C1 ZINC000173887141 530639370 /nfs/dbraw/zinc/63/93/70/530639370.db2.gz UKNIKNXSGZHWAN-FZMZJTMJSA-N 1 2 394.946 1.751 10 0 GDAELO CC(C)[N@@H+]1C[C@H](NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)[C@@H](C)C1 ZINC000173887141 530639372 /nfs/dbraw/zinc/63/93/72/530639372.db2.gz UKNIKNXSGZHWAN-FZMZJTMJSA-N 1 2 394.946 1.751 10 0 GDAELO CCNC(=O)N1CC[NH+](C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000176706533 530689626 /nfs/dbraw/zinc/68/96/26/530689626.db2.gz ZMCVXCZXUMYATQ-CQSZACIVSA-N 1 2 386.290 1.536 10 0 GDAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)Nc1cc(F)ccc1Br ZINC000179908296 530752761 /nfs/dbraw/zinc/75/27/61/530752761.db2.gz SLQRRSWXPQAYCI-NSHDSACASA-N 1 2 376.226 1.403 10 0 GDAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)Nc1cc(F)c(Br)cc1F ZINC000179929133 530753445 /nfs/dbraw/zinc/75/34/45/530753445.db2.gz VHZWNTNZNILPTG-VIFPVBQESA-N 1 2 394.216 1.542 10 0 GDAELO O=S(=O)(c1ccc(OCC(F)(F)F)nc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000182641014 530802673 /nfs/dbraw/zinc/80/26/73/530802673.db2.gz ZRVNXXXCSJOHFG-GFCCVEGCSA-N 1 2 379.404 1.882 10 0 GDAELO O=S(=O)(c1ccc(OCC(F)(F)F)nc1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000182641014 530802678 /nfs/dbraw/zinc/80/26/78/530802678.db2.gz ZRVNXXXCSJOHFG-GFCCVEGCSA-N 1 2 379.404 1.882 10 0 GDAELO Cn1cc([C@H]2C[NH2+]CCN2S(=O)(=O)c2ccc(Br)cc2)cn1 ZINC000181698333 530789391 /nfs/dbraw/zinc/78/93/91/530789391.db2.gz HMQDCWSSSPDHBZ-CQSZACIVSA-N 1 2 385.287 1.518 10 0 GDAELO COc1cc(Br)cc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000185740920 530846395 /nfs/dbraw/zinc/84/63/95/530846395.db2.gz ZVSVCBHZJMSCJP-GFCCVEGCSA-N 1 2 379.276 1.067 10 0 GDAELO COc1cc(Br)cc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000185740920 530846396 /nfs/dbraw/zinc/84/63/96/530846396.db2.gz ZVSVCBHZJMSCJP-GFCCVEGCSA-N 1 2 379.276 1.067 10 0 GDAELO C[N@@H+]1CCO[C@H](CNC(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000106758965 530849724 /nfs/dbraw/zinc/84/97/24/530849724.db2.gz AEUCKULRRGWENP-OAHLLOKOSA-N 1 2 379.258 1.695 10 0 GDAELO C[N@H+]1CCO[C@H](CNC(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000106758965 530849725 /nfs/dbraw/zinc/84/97/25/530849725.db2.gz AEUCKULRRGWENP-OAHLLOKOSA-N 1 2 379.258 1.695 10 0 GDAELO Cc1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000187169602 530868126 /nfs/dbraw/zinc/86/81/26/530868126.db2.gz QBVCVEOFTYOHMG-SNVBAGLBSA-N 1 2 388.237 1.282 10 0 GDAELO 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XQBXYSIWNSPIRR-PWSUYJOCSA-N 1 2 377.495 1.349 10 0 GDAELO Cc1cc(Br)cc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c1 ZINC000249074398 531084042 /nfs/dbraw/zinc/08/40/42/531084042.db2.gz MZKDPMZFOYMKFP-OLZOCXBDSA-N 1 2 391.331 1.833 10 0 GDAELO Cc1cc(Br)cc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c1 ZINC000249074398 531084045 /nfs/dbraw/zinc/08/40/45/531084045.db2.gz MZKDPMZFOYMKFP-OLZOCXBDSA-N 1 2 391.331 1.833 10 0 GDAELO Cc1ccc(Br)c(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c1 ZINC000249155596 531084459 /nfs/dbraw/zinc/08/44/59/531084459.db2.gz IFJZSCWMGJFSBQ-OLZOCXBDSA-N 1 2 391.331 1.833 10 0 GDAELO Cc1ccc(Br)c(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c1 ZINC000249155596 531084461 /nfs/dbraw/zinc/08/44/61/531084461.db2.gz IFJZSCWMGJFSBQ-OLZOCXBDSA-N 1 2 391.331 1.833 10 0 GDAELO CC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COc2cccc(Br)c2)CCO1 ZINC000246785707 531069444 /nfs/dbraw/zinc/06/94/44/531069444.db2.gz WZMZZZWQKLMURB-GDBMZVCRSA-N 1 2 387.274 1.026 10 0 GDAELO CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc(Br)c2)CCO1 ZINC000246785707 531069447 /nfs/dbraw/zinc/06/94/47/531069447.db2.gz WZMZZZWQKLMURB-GDBMZVCRSA-N 1 2 387.274 1.026 10 0 GDAELO C[C@H](CNC(=O)CNC(=O)c1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000153529003 531168943 /nfs/dbraw/zinc/16/89/43/531168943.db2.gz AKXDWCYFQNYPFP-GFCCVEGCSA-N 1 2 384.274 1.016 10 0 GDAELO Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccs1)CCC2 ZINC000332675935 532205299 /nfs/dbraw/zinc/20/52/99/532205299.db2.gz BZUKJKMXVAKKPT-CHWSQXEVSA-N 1 2 382.511 1.614 10 0 GDAELO CCOc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)NCC2CCOCC2)cc1 ZINC000014956884 207033297 /nfs/dbraw/zinc/03/32/97/207033297.db2.gz NEGZKMKJMOLUFU-LJQANCHMSA-N 1 2 389.496 1.319 10 0 GDAELO CCOc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)NCC2CCOCC2)cc1 ZINC000014956884 207033300 /nfs/dbraw/zinc/03/33/00/207033300.db2.gz NEGZKMKJMOLUFU-LJQANCHMSA-N 1 2 389.496 1.319 10 0 GDAELO CC1CCN(C(=O)COc2ccccc2C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C(=O)[O-])CC1 ZINC000077298870 208039568 /nfs/dbraw/zinc/03/95/68/208039568.db2.gz SNUMMAZSMJBWIM-IRXDYDNUSA-N 1 2 375.469 1.310 10 0 GDAELO CC1CCN(C(=O)COc2ccccc2C[N@H+]2C[C@@H]([NH3+])C[C@H]2C(=O)[O-])CC1 ZINC000077298870 208039574 /nfs/dbraw/zinc/03/95/74/208039574.db2.gz SNUMMAZSMJBWIM-IRXDYDNUSA-N 1 2 375.469 1.310 10 0 GDAELO CNC(=O)[C@@H]1C[C@@H](Nc2ncccn2)C[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000096135920 208270022 /nfs/dbraw/zinc/27/00/22/208270022.db2.gz OEQQZULDXALYQI-AEFFLSMTSA-N 1 2 377.452 1.463 10 0 GDAELO CNC(=O)[C@@H]1C[C@@H](Nc2ncccn2)C[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000096135920 208270027 /nfs/dbraw/zinc/27/00/27/208270027.db2.gz OEQQZULDXALYQI-AEFFLSMTSA-N 1 2 377.452 1.463 10 0 GDAELO CCNc1cc(N2CCC[C@H](CCC(=O)N3CCN(C(C)=O)CC3)C2)nc[nH+]1 ZINC000065245074 535520984 /nfs/dbraw/zinc/52/09/84/535520984.db2.gz SLTLMNDGNCLUCN-QGZVFWFLSA-N 1 2 388.516 1.596 10 0 GDAELO CCNc1cc(N2CCC[C@H](CCC(=O)N3CCN(C(C)=O)CC3)C2)[nH+]cn1 ZINC000065245074 535520989 /nfs/dbraw/zinc/52/09/89/535520989.db2.gz SLTLMNDGNCLUCN-QGZVFWFLSA-N 1 2 388.516 1.596 10 0 GDAELO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)OC)oc2Br)C1 ZINC000155699722 644815247 /nfs/dbraw/zinc/81/52/47/644815247.db2.gz VDXSXPUOYPLGMV-SECBINFHSA-N 1 2 395.275 1.591 10 0 GDAELO CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)OC)oc2Br)C1 ZINC000155699722 644815250 /nfs/dbraw/zinc/81/52/50/644815250.db2.gz VDXSXPUOYPLGMV-SECBINFHSA-N 1 2 395.275 1.591 10 0 GDAELO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)c1cccc(F)c1I ZINC000601732935 652600417 /nfs/dbraw/zinc/60/04/17/652600417.db2.gz DJBPTFJYECGXNQ-JTQLQIEISA-N 1 2 392.212 1.833 10 0 GDAELO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)c1cccc(F)c1I ZINC000601732935 652600420 /nfs/dbraw/zinc/60/04/20/652600420.db2.gz DJBPTFJYECGXNQ-JTQLQIEISA-N 1 2 392.212 1.833 10 0 GDAELO Cc1nnc([C@H]2C[N@H+](C[C@H](O)COc3cccc(Br)c3)CCO2)[nH]1 ZINC000174099811 530643317 /nfs/dbraw/zinc/64/33/17/530643317.db2.gz MJWWINAOHZCHAY-DZGCQCFKSA-N 1 2 397.273 1.689 10 0 GDAELO Cc1nnc([C@H]2C[N@@H+](C[C@H](O)COc3cccc(Br)c3)CCO2)[nH]1 ZINC000174099811 530643321 /nfs/dbraw/zinc/64/33/21/530643321.db2.gz MJWWINAOHZCHAY-DZGCQCFKSA-N 1 2 397.273 1.689 10 0 GDAELO CNc1cc(N2CCC[C@H]2CNS(=O)(=O)c2sc(C)nc2C)nc[nH+]1 ZINC000176952033 530694769 /nfs/dbraw/zinc/69/47/69/530694769.db2.gz MMZDDGUJLLWYCN-LBPRGKRZSA-N 1 2 382.515 1.539 10 0 GDAELO CNc1cc(N2CCC[C@H]2CNS(=O)(=O)c2sc(C)nc2C)[nH+]cn1 ZINC000176952033 530694771 /nfs/dbraw/zinc/69/47/71/530694771.db2.gz MMZDDGUJLLWYCN-LBPRGKRZSA-N 1 2 382.515 1.539 10 0 GDAELO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000178962132 530732263 /nfs/dbraw/zinc/73/22/63/530732263.db2.gz VBAJNRNNNBBHJD-SECBINFHSA-N 1 2 391.686 1.701 10 0 GDAELO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ccccc1CSC1=NCCS1 ZINC000178967562 530732954 /nfs/dbraw/zinc/73/29/54/530732954.db2.gz WFIWWVZKFFVHIX-HNNXBMFYSA-N 1 2 376.551 1.752 10 0 GDAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C)nc2Br)C[C@H]1C ZINC000179724319 530748432 /nfs/dbraw/zinc/74/84/32/530748432.db2.gz QUMGBJPGVXCQFG-GFCCVEGCSA-N 1 2 399.289 1.270 10 0 GDAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C)nc2Br)C[C@H]1C ZINC000179724319 530748436 /nfs/dbraw/zinc/74/84/36/530748436.db2.gz QUMGBJPGVXCQFG-GFCCVEGCSA-N 1 2 399.289 1.270 10 0 GDAELO O=S(=O)(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccc(Br)cc1F ZINC000184767448 530831739 /nfs/dbraw/zinc/83/17/39/530831739.db2.gz YIZDANAMZNRDNW-GFCCVEGCSA-N 1 2 393.278 1.730 10 0 GDAELO O=S(=O)(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccc(Br)cc1F ZINC000184767448 530831740 /nfs/dbraw/zinc/83/17/40/530831740.db2.gz YIZDANAMZNRDNW-GFCCVEGCSA-N 1 2 393.278 1.730 10 0 GDAELO C[N@@H+]1CCO[C@H](CNC(=O)c2ncc(Br)cc2Br)C1 ZINC000183475675 530815545 /nfs/dbraw/zinc/81/55/45/530815545.db2.gz UYKKTHLWTUGGTQ-SECBINFHSA-N 1 2 393.079 1.667 10 0 GDAELO C[N@H+]1CCO[C@H](CNC(=O)c2ncc(Br)cc2Br)C1 ZINC000183475675 530815547 /nfs/dbraw/zinc/81/55/47/530815547.db2.gz UYKKTHLWTUGGTQ-SECBINFHSA-N 1 2 393.079 1.667 10 0 GDAELO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000187147323 530867546 /nfs/dbraw/zinc/86/75/46/530867546.db2.gz LBGQVZOEJLXVPU-JTQLQIEISA-N 1 2 386.417 1.305 10 0 GDAELO Cc1cc(Br)cc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCOCC2)c1 ZINC000188057879 530883186 /nfs/dbraw/zinc/88/31/86/530883186.db2.gz YSYIIXZRELAPFZ-GFCCVEGCSA-N 1 2 384.274 1.533 10 0 GDAELO CCOCC[N@@H+]1CCN(C(=O)c2nc3ncc(Br)cn3n2)C[C@H]1C ZINC000117277203 530912060 /nfs/dbraw/zinc/91/20/60/530912060.db2.gz GOPITHUREZIGSM-LLVKDONJSA-N 1 2 397.277 1.070 10 0 GDAELO CCOCC[N@H+]1CCN(C(=O)c2nc3ncc(Br)cn3n2)C[C@H]1C ZINC000117277203 530912062 /nfs/dbraw/zinc/91/20/62/530912062.db2.gz GOPITHUREZIGSM-LLVKDONJSA-N 1 2 397.277 1.070 10 0 GDAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C)cc2Br)C[C@@H]1C ZINC000117522335 530912492 /nfs/dbraw/zinc/91/24/92/530912492.db2.gz UWXWWTJCPQPSCT-ZDUSSCGKSA-N 1 2 398.301 1.875 10 0 GDAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C)cc2Br)C[C@@H]1C ZINC000117522335 530912494 /nfs/dbraw/zinc/91/24/94/530912494.db2.gz UWXWWTJCPQPSCT-ZDUSSCGKSA-N 1 2 398.301 1.875 10 0 GDAELO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1F)CC2 ZINC000119226199 530923335 /nfs/dbraw/zinc/92/33/35/530923335.db2.gz WBMVFGIDDIJUDL-BMIGLBTASA-N 1 2 396.264 1.873 10 0 GDAELO CC(C)(C(=O)NC[C@H](O)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000120409694 530940546 /nfs/dbraw/zinc/94/05/46/530940546.db2.gz HQKCDNGABLLCDG-HNNXBMFYSA-N 1 2 385.302 1.536 10 0 GDAELO O=S(=O)(Cc1ccc(Br)cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000121008476 530948949 /nfs/dbraw/zinc/94/89/49/530948949.db2.gz GDYOKYJVMRRTJZ-OAHLLOKOSA-N 1 2 389.315 1.685 10 0 GDAELO NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000195346018 531021485 /nfs/dbraw/zinc/02/14/85/531021485.db2.gz LPCVEAZAHXTQEW-LBPRGKRZSA-N 1 2 380.495 1.609 10 0 GDAELO NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000195346018 531021490 /nfs/dbraw/zinc/02/14/90/531021490.db2.gz LPCVEAZAHXTQEW-LBPRGKRZSA-N 1 2 380.495 1.609 10 0 GDAELO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000246695969 531068666 /nfs/dbraw/zinc/06/86/66/531068666.db2.gz ZCDQTURSLKZNBZ-HIFRSBDPSA-N 1 2 388.555 1.668 10 0 GDAELO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000246695969 531068670 /nfs/dbraw/zinc/06/86/70/531068670.db2.gz ZCDQTURSLKZNBZ-HIFRSBDPSA-N 1 2 388.555 1.668 10 0 GDAELO C[C@H]1C[N@H+](C[C@@H](O)COCc2ccc(Cl)cc2)CCN1S(C)(=O)=O ZINC000245626085 531059195 /nfs/dbraw/zinc/05/91/95/531059195.db2.gz RLMWAOFFNQMOMX-XJKSGUPXSA-N 1 2 376.906 1.183 10 0 GDAELO C[C@H]1C[N@@H+](C[C@@H](O)COCc2ccc(Cl)cc2)CCN1S(C)(=O)=O ZINC000245626085 531059197 /nfs/dbraw/zinc/05/91/97/531059197.db2.gz RLMWAOFFNQMOMX-XJKSGUPXSA-N 1 2 376.906 1.183 10 0 GDAELO C[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)C[C@H]1[NH+]1CCOCC1 ZINC000248975215 531083478 /nfs/dbraw/zinc/08/34/78/531083478.db2.gz QRBITLPIWJSHML-BLLLJJGKSA-N 1 2 376.881 1.961 10 0 GDAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2cncc(Br)c2)C[C@@H]1C ZINC000154137759 531178631 /nfs/dbraw/zinc/17/86/31/531178631.db2.gz FWZFYSQPIATBQA-LBPRGKRZSA-N 1 2 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210882766 /nfs/dbraw/zinc/88/27/66/210882766.db2.gz GLHVBDJSPFYPMA-SFHVURJKSA-N 1 2 387.484 1.250 10 0 GDAELO Cc1cc(C)n(CCN(C)C(=O)C[C@H]2C(=O)NCC[N@H+]2Cc2ccc(C)o2)n1 ZINC000055211750 210882763 /nfs/dbraw/zinc/88/27/63/210882763.db2.gz GLHVBDJSPFYPMA-SFHVURJKSA-N 1 2 387.484 1.250 10 0 GDAELO Cc1c(C[N@@H+]2C[C@H]3C[NH+](CCO)C[C@@]3(C(=O)[O-])C2)[nH]c2c1cccc2Cl ZINC000096140735 570213152 /nfs/dbraw/zinc/21/31/52/570213152.db2.gz IAINEGREFMONNG-BFUOFWGJSA-N 1 2 377.872 1.940 10 0 GDAELO Cc1c(C[N@H+]2C[C@H]3C[NH+](CCO)C[C@@]3(C(=O)[O-])C2)[nH]c2c1cccc2Cl ZINC000096140735 570213154 /nfs/dbraw/zinc/21/31/54/570213154.db2.gz IAINEGREFMONNG-BFUOFWGJSA-N 1 2 377.872 1.940 10 0 GDAELO Cc1c(C[NH+]2C[C@H]3C[N@H+](CCO)C[C@@]3(C(=O)[O-])C2)[nH]c2c1cccc2Cl ZINC000096140735 570213156 /nfs/dbraw/zinc/21/31/56/570213156.db2.gz IAINEGREFMONNG-BFUOFWGJSA-N 1 2 377.872 1.940 10 0 GDAELO Cc1c(C[NH+]2C[C@H]3C[N@@H+](CCO)C[C@@]3(C(=O)[O-])C2)[nH]c2c1cccc2Cl ZINC000096140735 570213157 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C[N@H+]1CCO[C@H](CNC(=O)/C=C/c2ccc(I)o2)C1 ZINC000194634962 531008040 /nfs/dbraw/zinc/00/80/40/531008040.db2.gz RYKMRYYZFRIGFU-JOAKQRRISA-N 1 2 376.194 1.344 10 0 GDAELO O=C([C@H]1Cc2cc(Br)ccc2O1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000194356634 531003591 /nfs/dbraw/zinc/00/35/91/531003591.db2.gz DJEXNBZEZDLEMQ-GDBMZVCRSA-N 1 2 381.270 1.686 10 0 GDAELO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c(Br)c1 ZINC000246209899 531064961 /nfs/dbraw/zinc/06/49/61/531064961.db2.gz RMJXMDNGOYXVLQ-QWHCGFSZSA-N 1 2 391.331 1.833 10 0 GDAELO Cc1ccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c(Br)c1 ZINC000246209899 531064962 /nfs/dbraw/zinc/06/49/62/531064962.db2.gz RMJXMDNGOYXVLQ-QWHCGFSZSA-N 1 2 391.331 1.833 10 0 GDAELO Cc1cc(CCC(=O)NC[C@@H](O)C[NH+]2CCOCC2)ccc1Br ZINC000128028666 531036168 /nfs/dbraw/zinc/03/61/68/531036168.db2.gz OIAFHENBTHKALB-OAHLLOKOSA-N 1 2 385.302 1.499 10 0 GDAELO Cc1ncc(C[NH+]2CCN(C(=O)NCC3CCS(=O)(=O)CC3)CC2)s1 ZINC000130231633 531059214 /nfs/dbraw/zinc/05/92/14/531059214.db2.gz NTJWSPKLFIZGBT-UHFFFAOYSA-N 1 2 386.543 1.104 10 0 GDAELO O=C1NCCCC[C@@H]1[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000245858533 531060609 /nfs/dbraw/zinc/06/06/09/531060609.db2.gz KKZNAWINYVMSKM-LBPRGKRZSA-N 1 2 391.946 1.767 10 0 GDAELO O=C1NCCCC[C@@H]1[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000245858533 531060613 /nfs/dbraw/zinc/06/06/13/531060613.db2.gz KKZNAWINYVMSKM-LBPRGKRZSA-N 1 2 391.946 1.767 10 0 GDAELO Cc1cc(Br)cc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000249074400 531084096 /nfs/dbraw/zinc/08/40/96/531084096.db2.gz MZKDPMZFOYMKFP-QWHCGFSZSA-N 1 2 391.331 1.833 10 0 GDAELO Cc1cc(Br)cc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000249074400 531084098 /nfs/dbraw/zinc/08/40/98/531084098.db2.gz MZKDPMZFOYMKFP-QWHCGFSZSA-N 1 2 391.331 1.833 10 0 GDAELO O=S(=O)(c1ccc(F)cc1)N1CCC[N@@H+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000249288050 531085601 /nfs/dbraw/zinc/08/56/01/531085601.db2.gz LXHMOIUNWWDPSE-ZDUSSCGKSA-N 1 2 384.395 1.835 10 0 GDAELO O=S(=O)(c1ccc(F)cc1)N1CCC[N@H+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000249288050 531085604 /nfs/dbraw/zinc/08/56/04/531085604.db2.gz LXHMOIUNWWDPSE-ZDUSSCGKSA-N 1 2 384.395 1.835 10 0 GDAELO C[C@@H](CNC(=O)NCCOc1ncc(Cl)cc1Cl)[NH+]1CCOCC1 ZINC000134635535 531101363 /nfs/dbraw/zinc/10/13/63/531101363.db2.gz NPJKPDKDPHOBIG-NSHDSACASA-N 1 2 377.272 1.787 10 0 GDAELO COc1ccc(C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1I ZINC000151131585 531133374 /nfs/dbraw/zinc/13/33/74/531133374.db2.gz SRVOWMSDCWXTIK-NSHDSACASA-N 1 2 390.221 1.360 10 0 GDAELO COc1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1I ZINC000151131585 531133377 /nfs/dbraw/zinc/13/33/77/531133377.db2.gz SRVOWMSDCWXTIK-NSHDSACASA-N 1 2 390.221 1.360 10 0 GDAELO COc1cc(C)c(S(=O)(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc1Cl ZINC000408398224 531237829 /nfs/dbraw/zinc/23/78/29/531237829.db2.gz XQBQJDVBXHLUHG-ZFWWWQNUSA-N 1 2 388.917 1.998 10 0 GDAELO COc1cc(C)c(S(=O)(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc1Cl ZINC000408398213 531238630 /nfs/dbraw/zinc/23/86/30/531238630.db2.gz XQBQJDVBXHLUHG-DZGCQCFKSA-N 1 2 388.917 1.998 10 0 GDAELO Nc1ncc(Br)cc1S(=O)(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000328629733 532088737 /nfs/dbraw/zinc/08/87/37/532088737.db2.gz PCOUZEXEEYCSGD-VIFPVBQESA-N 1 2 386.275 1.164 10 0 GDAELO O=C(C[C@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1)NCCCn1cc[nH+]c1 ZINC000012301327 221177502 /nfs/dbraw/zinc/17/75/02/221177502.db2.gz XPXSPLIDBCKZNA-KRWDZBQOSA-N 1 2 391.422 1.058 10 0 GDAELO CCOc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCCCSC ZINC000014971855 221322116 /nfs/dbraw/zinc/32/21/16/221322116.db2.gz GJAUZVGAGDNDDX-MRXNPFEDSA-N 1 2 379.526 1.645 10 0 GDAELO CCOc1ccccc1C[N@H+]1CCNC(=O)[C@H]1CC(=O)NCCCSC ZINC000014971855 221322118 /nfs/dbraw/zinc/32/21/18/221322118.db2.gz GJAUZVGAGDNDDX-MRXNPFEDSA-N 1 2 379.526 1.645 10 0 GDAELO CCOC(=O)C1CCN(C(=O)CCc2cc[nH+]c(N3CCOCC3)c2)CC1 ZINC000065269811 136162266 /nfs/dbraw/zinc/16/22/66/136162266.db2.gz UJFFAZCODXPGQJ-UHFFFAOYSA-N 1 2 375.469 1.653 10 0 GDAELO Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c(Br)c1 ZINC000173351379 530628513 /nfs/dbraw/zinc/62/85/13/530628513.db2.gz JKPIXUQTWYRUSK-ZDUSSCGKSA-N 1 2 396.285 1.629 10 0 GDAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)Nc1c(F)cc(Br)cc1F ZINC000179882070 530752424 /nfs/dbraw/zinc/75/24/24/530752424.db2.gz UPXBHBJBRZUEME-SNVBAGLBSA-N 1 2 394.216 1.542 10 0 GDAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2Br)C[C@@H]1[NH+]1CCOCC1 ZINC000180256040 530761459 /nfs/dbraw/zinc/76/14/59/530761459.db2.gz LWQLSPHGLLPALX-DOMZBBRYSA-N 1 2 396.285 1.567 10 0 GDAELO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000180302093 530763830 /nfs/dbraw/zinc/76/38/30/530763830.db2.gz KFEZBPAGYPQCRX-QMMMGPOBSA-N 1 2 388.358 1.459 10 0 GDAELO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000179662247 530747147 /nfs/dbraw/zinc/74/71/47/530747147.db2.gz DVQVURUEZGWZAU-LSDHHAIUSA-N 1 2 377.268 1.226 10 0 GDAELO COc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)nc1Br ZINC000183208450 530811263 /nfs/dbraw/zinc/81/12/63/530811263.db2.gz HSLYAIMOQDXTAS-DGCLKSJQSA-N 1 2 384.274 1.645 10 0 GDAELO O=C(C[N@@H+]1CCCN(c2cccnn2)CC1)Nc1ccc(Br)cn1 ZINC000106069970 530846088 /nfs/dbraw/zinc/84/60/88/530846088.db2.gz NJIHAIGRUDXSOC-UHFFFAOYSA-N 1 2 391.273 1.785 10 0 GDAELO O=C(C[N@H+]1CCCN(c2cccnn2)CC1)Nc1ccc(Br)cn1 ZINC000106069970 530846090 /nfs/dbraw/zinc/84/60/90/530846090.db2.gz NJIHAIGRUDXSOC-UHFFFAOYSA-N 1 2 391.273 1.785 10 0 GDAELO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000113305849 530889062 /nfs/dbraw/zinc/88/90/62/530889062.db2.gz ABWKMYVKNLITSK-NWDGAFQWSA-N 1 2 376.475 1.086 10 0 GDAELO C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000113305849 530889063 /nfs/dbraw/zinc/88/90/63/530889063.db2.gz ABWKMYVKNLITSK-NWDGAFQWSA-N 1 2 376.475 1.086 10 0 GDAELO CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c[nH]c(C)c(Br)c3=O)C2)CC1 ZINC000119673542 530929614 /nfs/dbraw/zinc/92/96/14/530929614.db2.gz CSUJZLGDYDWIPP-CYBMUJFWSA-N 1 2 397.317 1.710 10 0 GDAELO C[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000189703340 530919382 /nfs/dbraw/zinc/91/93/82/530919382.db2.gz QRBITLPIWJSHML-LRDDRELGSA-N 1 2 376.881 1.961 10 0 GDAELO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000121805427 530962478 /nfs/dbraw/zinc/96/24/78/530962478.db2.gz DVFLSEOJKFYSLP-NEPJUHHUSA-N 1 2 377.268 1.570 10 0 GDAELO Cc1cccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1Br ZINC000122395963 530970321 /nfs/dbraw/zinc/97/03/21/530970321.db2.gz FKNYPVWGLPCPML-CHWSQXEVSA-N 1 2 391.331 1.833 10 0 GDAELO Cc1cccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1Br ZINC000122395963 530970322 /nfs/dbraw/zinc/97/03/22/530970322.db2.gz FKNYPVWGLPCPML-CHWSQXEVSA-N 1 2 391.331 1.833 10 0 GDAELO NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000195346027 531021610 /nfs/dbraw/zinc/02/16/10/531021610.db2.gz LPCVEAZAHXTQEW-GFCCVEGCSA-N 1 2 380.495 1.609 10 0 GDAELO NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000195346027 531021613 /nfs/dbraw/zinc/02/16/13/531021613.db2.gz LPCVEAZAHXTQEW-GFCCVEGCSA-N 1 2 380.495 1.609 10 0 GDAELO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000245971621 531062426 /nfs/dbraw/zinc/06/24/26/531062426.db2.gz VVKAWTLLNNQWOU-AWEZNQCLSA-N 1 2 385.917 1.901 10 0 GDAELO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000245971621 531062428 /nfs/dbraw/zinc/06/24/28/531062428.db2.gz VVKAWTLLNNQWOU-AWEZNQCLSA-N 1 2 385.917 1.901 10 0 GDAELO Cc1cc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)ccc1Br ZINC000246218554 531064974 /nfs/dbraw/zinc/06/49/74/531064974.db2.gz UMNSNUSYAFVRAJ-OLZOCXBDSA-N 1 2 391.331 1.833 10 0 GDAELO Cc1cc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)ccc1Br ZINC000246218554 531064976 /nfs/dbraw/zinc/06/49/76/531064976.db2.gz UMNSNUSYAFVRAJ-OLZOCXBDSA-N 1 2 391.331 1.833 10 0 GDAELO C[C@@H]1CN(CC(=O)Nc2ccc(Br)cn2)C[C@H]1[NH+]1CCOCC1 ZINC000246431460 531066625 /nfs/dbraw/zinc/06/66/25/531066625.db2.gz LHZRWJJHKLFGPU-TZMCWYRMSA-N 1 2 383.290 1.435 10 0 GDAELO CCn1c(N)c(C(=O)C[NH2+][C@H](C)c2ccccc2Br)c(=O)[nH]c1=O ZINC000128013484 531036175 /nfs/dbraw/zinc/03/61/75/531036175.db2.gz GHAKRXHYJIFNMO-SECBINFHSA-N 1 2 395.257 1.435 10 0 GDAELO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245564376 531058152 /nfs/dbraw/zinc/05/81/52/531058152.db2.gz NWNBPVSUAYEWSX-GOEBONIOSA-N 1 2 391.896 1.668 10 0 GDAELO CNS(=O)(=O)CC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245564376 531058157 /nfs/dbraw/zinc/05/81/57/531058157.db2.gz NWNBPVSUAYEWSX-GOEBONIOSA-N 1 2 391.896 1.668 10 0 GDAELO NC(=O)[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000245792930 531060599 /nfs/dbraw/zinc/06/05/99/531060599.db2.gz OATNJINTXJPWFB-DOMZBBRYSA-N 1 2 378.274 1.979 10 0 GDAELO NC(=O)[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000245792930 531060602 /nfs/dbraw/zinc/06/06/02/531060602.db2.gz OATNJINTXJPWFB-DOMZBBRYSA-N 1 2 378.274 1.979 10 0 GDAELO O=C(CCCc1ccccc1Br)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000132670795 531082753 /nfs/dbraw/zinc/08/27/53/531082753.db2.gz ZLJHBMSIGURIEH-OAHLLOKOSA-N 1 2 385.302 1.581 10 0 GDAELO C[C@H](O)CN1CC[N@H+](C[C@H](O)COc2cccc(Br)c2)C[C@@H]1C ZINC000246917637 531070413 /nfs/dbraw/zinc/07/04/13/531070413.db2.gz AKDYLARHXXRUIZ-DZKIICNBSA-N 1 2 387.318 1.576 10 0 GDAELO C[C@H](O)CN1CC[N@@H+](C[C@H](O)COc2cccc(Br)c2)C[C@@H]1C ZINC000246917637 531070417 /nfs/dbraw/zinc/07/04/17/531070417.db2.gz AKDYLARHXXRUIZ-DZKIICNBSA-N 1 2 387.318 1.576 10 0 GDAELO O=C(C[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1)NCc1ccc(Cl)s1 ZINC000135668145 531111574 /nfs/dbraw/zinc/11/15/74/531111574.db2.gz NEFIMIMXYKZEJP-ZDUSSCGKSA-N 1 2 391.946 1.518 10 0 GDAELO O=C(C[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1)NCc1ccc(Cl)s1 ZINC000135668145 531111576 /nfs/dbraw/zinc/11/15/76/531111576.db2.gz NEFIMIMXYKZEJP-ZDUSSCGKSA-N 1 2 391.946 1.518 10 0 GDAELO Cc1nn(C)c(C[N@@H+]2CCC[C@](O)(C(=O)N3CCCC3)C2)c1Br ZINC000408039199 531213607 /nfs/dbraw/zinc/21/36/07/531213607.db2.gz 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O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1cncc(I)c1 ZINC000121483161 530956790 /nfs/dbraw/zinc/95/67/90/530956790.db2.gz KKVRUNFRTAMNQN-ZDUSSCGKSA-N 1 2 387.221 1.279 10 0 GDAELO CC[C@H]1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)CC[N@@H+]1C[C@@H](C)O ZINC000122724631 530975628 /nfs/dbraw/zinc/97/56/28/530975628.db2.gz BOTNGLSEDVZXQL-OLZOCXBDSA-N 1 2 386.905 1.453 10 0 GDAELO CC[C@H]1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)CC[N@H+]1C[C@@H](C)O ZINC000122724631 530975633 /nfs/dbraw/zinc/97/56/33/530975633.db2.gz BOTNGLSEDVZXQL-OLZOCXBDSA-N 1 2 386.905 1.453 10 0 GDAELO Cc1c(Br)ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1F ZINC000192969928 530977223 /nfs/dbraw/zinc/97/72/23/530977223.db2.gz YKUFAUXJBWJLDM-SNVBAGLBSA-N 1 2 388.237 1.282 10 0 GDAELO Cc1c(Br)ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1F ZINC000192969928 530977226 /nfs/dbraw/zinc/97/72/26/530977226.db2.gz YKUFAUXJBWJLDM-SNVBAGLBSA-N 1 2 388.237 1.282 10 0 GDAELO CCCCOC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 ZINC000193375174 530985504 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O=S(=O)(Cc1ccc(Br)cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000121008308 530949071 /nfs/dbraw/zinc/94/90/71/530949071.db2.gz GDYOKYJVMRRTJZ-HNNXBMFYSA-N 1 2 389.315 1.685 10 0 GDAELO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000123681823 530986475 /nfs/dbraw/zinc/98/64/75/530986475.db2.gz BWUPFKMQMDSHFC-NEPJUHHUSA-N 1 2 377.268 1.570 10 0 GDAELO C[N@@H+]1CCO[C@H](CNC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000194612332 531007301 /nfs/dbraw/zinc/00/73/01/531007301.db2.gz XAZFTZWOZKXUGH-GFCCVEGCSA-N 1 2 385.258 1.210 10 0 GDAELO C[N@H+]1CCO[C@H](CNC(=O)Cc2cc3c(cc2Br)OCCO3)C1 ZINC000194612332 531007302 /nfs/dbraw/zinc/00/73/02/531007302.db2.gz XAZFTZWOZKXUGH-GFCCVEGCSA-N 1 2 385.258 1.210 10 0 GDAELO C[C@@H]1CCN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000248505811 531079476 /nfs/dbraw/zinc/07/94/76/531079476.db2.gz WYZOMOHDPJKUCJ-DGCLKSJQSA-N 1 2 377.392 1.914 10 0 GDAELO O=C(Cc1c[nH]c2cc(Br)ccc12)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000132912666 531085462 /nfs/dbraw/zinc/08/54/62/531085462.db2.gz KJXQBMMEDVCGCE-CQSZACIVSA-N 1 2 396.285 1.282 10 0 GDAELO Cn1ncc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)c(Br)c1=O ZINC000261428252 531092664 /nfs/dbraw/zinc/09/26/64/531092664.db2.gz CDEVWABWBKIVKE-HNNXBMFYSA-N 1 2 393.285 1.398 10 0 GDAELO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000246695983 531069108 /nfs/dbraw/zinc/06/91/08/531069108.db2.gz ZCDQTURSLKZNBZ-UKRRQHHQSA-N 1 2 388.555 1.668 10 0 GDAELO Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000246695983 531069112 /nfs/dbraw/zinc/06/91/12/531069112.db2.gz ZCDQTURSLKZNBZ-UKRRQHHQSA-N 1 2 388.555 1.668 10 0 GDAELO C[C@@H]1CN(S(=O)(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)[C@@H](C)CO1 ZINC000246705666 531069370 /nfs/dbraw/zinc/06/93/70/531069370.db2.gz ZOJDEUONFCQNKQ-ZENOOKHLSA-N 1 2 375.922 1.886 10 0 GDAELO CC(=O)NC[C@H]1C[N@H+](C[C@@H](O)COc2cccc(Br)c2)CCO1 ZINC000246785737 531069374 /nfs/dbraw/zinc/06/93/74/531069374.db2.gz WZMZZZWQKLMURB-ZBFHGGJFSA-N 1 2 387.274 1.026 10 0 GDAELO CC(=O)NC[C@H]1C[N@@H+](C[C@@H](O)COc2cccc(Br)c2)CCO1 ZINC000246785737 531069376 /nfs/dbraw/zinc/06/93/76/531069376.db2.gz WZMZZZWQKLMURB-ZBFHGGJFSA-N 1 2 387.274 1.026 10 0 GDAELO O=C([C@@H]1COc2ccc(Br)cc21)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000136088235 531113518 /nfs/dbraw/zinc/11/35/18/531113518.db2.gz PPLKLIJCOFUHJY-DZGCQCFKSA-N 1 2 381.270 1.858 10 0 GDAELO COc1cc(C)c(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cc1Cl ZINC000408398219 531238459 /nfs/dbraw/zinc/23/84/59/531238459.db2.gz XQBQJDVBXHLUHG-HIFRSBDPSA-N 1 2 388.917 1.998 10 0 GDAELO Cn1c2cc(Br)ccc2nc1C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000285814060 532115469 /nfs/dbraw/zinc/11/54/69/532115469.db2.gz OPJZQIWEZMMFCZ-OLZOCXBDSA-N 1 2 378.274 1.934 10 0 GDAELO Cn1c2cc(Br)ccc2nc1C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000285814060 532115474 /nfs/dbraw/zinc/11/54/74/532115474.db2.gz OPJZQIWEZMMFCZ-OLZOCXBDSA-N 1 2 378.274 1.934 10 0 GDAELO CCOc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCCCSC ZINC000014971850 221321843 /nfs/dbraw/zinc/32/18/43/221321843.db2.gz GJAUZVGAGDNDDX-INIZCTEOSA-N 1 2 379.526 1.645 10 0 GDAELO CCOc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCCCSC ZINC000014971850 221321847 /nfs/dbraw/zinc/32/18/47/221321847.db2.gz GJAUZVGAGDNDDX-INIZCTEOSA-N 1 2 379.526 1.645 10 0 GDAELO C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)cc2)CC1 ZINC000067603857 222149975 /nfs/dbraw/zinc/14/99/75/222149975.db2.gz LBUHRDZJGXEAHL-UHOSZYNNSA-N 1 2 391.537 1.682 10 0 GDAELO C[N@@H+]1CCO[C@H](CNS(=O)(=O)/C=C/c2cccc(Br)c2)C1 ZINC000171107141 530594242 /nfs/dbraw/zinc/59/42/42/530594242.db2.gz NLQGDUCTUXVEFN-LHRNQBEKSA-N 1 2 375.288 1.670 10 0 GDAELO C[N@H+]1CCO[C@H](CNS(=O)(=O)/C=C/c2cccc(Br)c2)C1 ZINC000171107141 530594244 /nfs/dbraw/zinc/59/42/44/530594244.db2.gz NLQGDUCTUXVEFN-LHRNQBEKSA-N 1 2 375.288 1.670 10 0 GDAELO C[C@@H](CNC(=O)CCNC(=O)c1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000029957248 530596384 /nfs/dbraw/zinc/59/63/84/530596384.db2.gz ZYJXQPSBAGBHHP-ZDUSSCGKSA-N 1 2 398.301 1.406 10 0 GDAELO Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173351919 530628763 /nfs/dbraw/zinc/62/87/63/530628763.db2.gz ZWKQEDIBGZIYPV-CYBMUJFWSA-N 1 2 396.285 1.629 10 0 GDAELO COc1ccc(Br)cc1CC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000173763386 530636306 /nfs/dbraw/zinc/63/63/06/530636306.db2.gz SMECNDWLZGCZKH-HNNXBMFYSA-N 1 2 383.286 1.980 10 0 GDAELO COc1ccc(Br)cc1CC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000173763386 530636309 /nfs/dbraw/zinc/63/63/09/530636309.db2.gz SMECNDWLZGCZKH-HNNXBMFYSA-N 1 2 383.286 1.980 10 0 GDAELO C[C@H]1CN(C(=O)c2cc(I)c[nH]2)C[C@@H]1[NH+]1CCOCC1 ZINC000173833891 530638193 /nfs/dbraw/zinc/63/81/93/530638193.db2.gz FCMQMHWPSGGALP-GWCFXTLKSA-N 1 2 389.237 1.412 10 0 GDAELO O=C(c1cc(Br)c2c(c1)OCCO2)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172743288 530616884 /nfs/dbraw/zinc/61/68/84/530616884.db2.gz DAJKNWHDVRPWLN-CYBMUJFWSA-N 1 2 397.269 1.767 10 0 GDAELO CCc1nnc(CS(=O)(=O)Cc2cn3cc(Br)ccc3[nH+]2)n1C ZINC000180053000 530755727 /nfs/dbraw/zinc/75/57/27/530755727.db2.gz SAIDEWVYXXAXMT-UHFFFAOYSA-N 1 2 398.286 1.903 10 0 GDAELO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000068046510 530782859 /nfs/dbraw/zinc/78/28/59/530782859.db2.gz SMRCUOLBUSQODA-AWEZNQCLSA-N 1 2 390.933 1.822 10 0 GDAELO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc(Br)cc2F)C[C@@H]1C ZINC000184749388 530831727 /nfs/dbraw/zinc/83/17/27/530831727.db2.gz VELLFCWFVYMDSC-NSHDSACASA-N 1 2 395.294 1.929 10 0 GDAELO COCC[N@H+]1CCN(S(=O)(=O)c2ccc(Br)cc2F)C[C@@H]1C ZINC000184749388 530831730 /nfs/dbraw/zinc/83/17/30/530831730.db2.gz VELLFCWFVYMDSC-NSHDSACASA-N 1 2 395.294 1.929 10 0 GDAELO Cc1[nH]cc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c(=O)c1Br ZINC000183219798 530812210 /nfs/dbraw/zinc/81/22/10/530812210.db2.gz VOZNZZFSOMFHLL-GWCFXTLKSA-N 1 2 384.274 1.651 10 0 GDAELO Cc1cc(Br)ccc1NC(=O)CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000104797076 530840618 /nfs/dbraw/zinc/84/06/18/530840618.db2.gz UIXUOJBLQVOZLZ-CYBMUJFWSA-N 1 2 399.289 1.326 10 0 GDAELO Cc1cc(Br)ccc1NC(=O)CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000104797076 530840624 /nfs/dbraw/zinc/84/06/24/530840624.db2.gz UIXUOJBLQVOZLZ-CYBMUJFWSA-N 1 2 399.289 1.326 10 0 GDAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C)c(Br)c2)C[C@H]1C ZINC000117522650 530912878 /nfs/dbraw/zinc/91/28/78/530912878.db2.gz YMAXRCGVLYIFBX-CYBMUJFWSA-N 1 2 398.301 1.875 10 0 GDAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C)c(Br)c2)C[C@H]1C ZINC000117522650 530912881 /nfs/dbraw/zinc/91/28/81/530912881.db2.gz YMAXRCGVLYIFBX-CYBMUJFWSA-N 1 2 398.301 1.875 10 0 GDAELO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000119458335 530925975 /nfs/dbraw/zinc/92/59/75/530925975.db2.gz DNSTYNCHLMHAGE-LSDHHAIUSA-N 1 2 388.917 1.958 10 0 GDAELO C[N@@H+]1CCO[C@H](CNC(=O)COc2ccc(I)cc2)C1 ZINC000194638469 531007934 /nfs/dbraw/zinc/00/79/34/531007934.db2.gz JZCAAPQNIWSUGO-CYBMUJFWSA-N 1 2 390.221 1.117 10 0 GDAELO C[N@H+]1CCO[C@H](CNC(=O)COc2ccc(I)cc2)C1 ZINC000194638469 531007937 /nfs/dbraw/zinc/00/79/37/531007937.db2.gz JZCAAPQNIWSUGO-CYBMUJFWSA-N 1 2 390.221 1.117 10 0 GDAELO C[C@H]1CN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)C[C@H]1[NH+]1CCOCC1 ZINC000245895119 531061525 /nfs/dbraw/zinc/06/15/25/531061525.db2.gz KEIFJCASFWVSEU-BLLLJJGKSA-N 1 2 376.881 1.961 10 0 GDAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)C1(c2ccc(Br)cc2)CC1 ZINC000129003320 531046299 /nfs/dbraw/zinc/04/62/99/531046299.db2.gz UJHHZTWKCHCSOK-HNNXBMFYSA-N 1 2 383.286 1.290 10 0 GDAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1cc2ccc(Br)cc2[nH]1 ZINC000128988144 531046465 /nfs/dbraw/zinc/04/64/65/531046465.db2.gz ODFFMFHFVZXJOF-CYBMUJFWSA-N 1 2 382.258 1.353 10 0 GDAELO O=C(CCCOc1cccc(Cl)c1Cl)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000132711090 531083453 /nfs/dbraw/zinc/08/34/53/531083453.db2.gz OLMSSKFSQGAKQM-CYBMUJFWSA-N 1 2 391.295 1.962 10 0 GDAELO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(Br)s2)[C@@H](C)C1 ZINC000249195825 531085544 /nfs/dbraw/zinc/08/55/44/531085544.db2.gz QDCBQIXEOSGEGV-UWVGGRQHSA-N 1 2 383.333 1.586 10 0 GDAELO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(Br)s2)[C@@H](C)C1 ZINC000249195825 531085547 /nfs/dbraw/zinc/08/55/47/531085547.db2.gz QDCBQIXEOSGEGV-UWVGGRQHSA-N 1 2 383.333 1.586 10 0 GDAELO NS(=O)(=O)c1cc(F)c(N2CC[N@@H+]3CCCC[C@@H]3C2)c(Br)c1 ZINC000408229240 531227110 /nfs/dbraw/zinc/22/71/10/531227110.db2.gz OLEUCPFDWNVNNI-SNVBAGLBSA-N 1 2 392.294 1.910 10 0 GDAELO NS(=O)(=O)c1cc(F)c(N2CC[N@H+]3CCCC[C@@H]3C2)c(Br)c1 ZINC000408229240 531227115 /nfs/dbraw/zinc/22/71/15/531227115.db2.gz OLEUCPFDWNVNNI-SNVBAGLBSA-N 1 2 392.294 1.910 10 0 GDAELO CC(C)[C@@H](Nc1[nH+]cnc2c1c(Br)nn2C)C(=O)N1CCOCC1 ZINC000301636181 532038339 /nfs/dbraw/zinc/03/83/39/532038339.db2.gz FFLXIMSGIFZGHE-LLVKDONJSA-N 1 2 397.277 1.421 10 0 GDAELO CC[C@H]1C[N@H+](CC(=O)NCCN2CCOCC2)Cc2cc(OC)ccc2O1 ZINC000011840389 221131017 /nfs/dbraw/zinc/13/10/17/221131017.db2.gz DBCRZLYCVIFNJM-KRWDZBQOSA-N 1 2 377.485 1.117 10 0 GDAELO CC[C@H]1C[N@@H+](CC(=O)NCCN2CCOCC2)Cc2cc(OC)ccc2O1 ZINC000011840389 221131021 /nfs/dbraw/zinc/13/10/21/221131021.db2.gz DBCRZLYCVIFNJM-KRWDZBQOSA-N 1 2 377.485 1.117 10 0 GDAELO CC(C)N(Cc1nccn1C)C(=O)C[C@@H]1C(=O)NCC[N@H+]1CCc1ccccc1 ZINC000011935134 221138663 /nfs/dbraw/zinc/13/86/63/221138663.db2.gz CFSPWAKAHGGMAY-LJQANCHMSA-N 1 2 397.523 1.590 10 0 GDAELO CC(C)N(Cc1nccn1C)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCc1ccccc1 ZINC000011935134 221138666 /nfs/dbraw/zinc/13/86/66/221138666.db2.gz CFSPWAKAHGGMAY-LJQANCHMSA-N 1 2 397.523 1.590 10 0 GDAELO Cc1cc(CNC(=O)C[C@H]2C(=O)NCC[N@H+]2C/C=C/c2ccccc2)nn1C ZINC000055383373 222019694 /nfs/dbraw/zinc/01/96/94/222019694.db2.gz JNNFWANTDOGKAW-AIADIJKESA-N 1 2 381.480 1.249 10 0 GDAELO Cc1cc(CNC(=O)C[C@H]2C(=O)NCC[N@@H+]2C/C=C/c2ccccc2)nn1C ZINC000055383373 222019698 /nfs/dbraw/zinc/01/96/98/222019698.db2.gz JNNFWANTDOGKAW-AIADIJKESA-N 1 2 381.480 1.249 10 0 GDAELO COCC(=O)N1CCC[N@H+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1 ZINC000065172456 222106446 /nfs/dbraw/zinc/10/64/46/222106446.db2.gz HUBZZYUDEUNDKX-UHFFFAOYSA-N 1 2 390.440 1.435 10 0 GDAELO COCC(=O)N1CCC[N@@H+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1 ZINC000065172456 222106448 /nfs/dbraw/zinc/10/64/48/222106448.db2.gz HUBZZYUDEUNDKX-UHFFFAOYSA-N 1 2 390.440 1.435 10 0 GDAELO O=C(NCC[NH+]1CCOCC1)[C@@H]1CCCN(c2nnc3c(Cl)cccn32)C1 ZINC000065312733 222122839 /nfs/dbraw/zinc/12/28/39/222122839.db2.gz BINBCJCPDNOWJY-CQSZACIVSA-N 1 2 392.891 1.048 10 0 GDAELO C[NH+]1CCN(C(=O)c2cc3n(n2)CCN(Cc2c[nH]c4ccc(F)cc24)C3)CC1 ZINC000067641869 222152217 /nfs/dbraw/zinc/15/22/17/222152217.db2.gz ITTUCNBDDXYACL-UHFFFAOYSA-N 1 2 396.470 1.907 10 0 GDAELO NC(=O)C[NH+]1CCC(C(=O)N2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)CC1 ZINC000072151830 222212936 /nfs/dbraw/zinc/21/29/36/222212936.db2.gz ZGDGGQPAESWJBF-INIZCTEOSA-N 1 2 391.899 1.959 10 0 GDAELO CC(C)(C)C(=O)NCC[NH+]1CCN(c2ncnc3cc(C(N)=O)sc32)CC1 ZINC000095590408 534491667 /nfs/dbraw/zinc/49/16/67/534491667.db2.gz VFTCCJSLGAXIGU-UHFFFAOYSA-N 1 2 390.513 1.075 10 0 GDAELO Cn1ccnc(N2CCC[C@@H]([NH2+][C@H](C(=O)NC3CC3)c3ccccc3)C2)c1=O ZINC000275359201 570691062 /nfs/dbraw/zinc/69/10/62/570691062.db2.gz ATZHSORTTKLGPI-MSOLQXFVSA-N 1 2 381.480 1.359 10 0 GDAELO O=C1c2cc(Cl)c(Cl)cc2C(=O)N1CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172961181 644886318 /nfs/dbraw/zinc/88/63/18/644886318.db2.gz VUXBVVCMXKIVQM-LLVKDONJSA-N 1 2 384.263 1.953 10 0 GDAELO Cc1[nH]nc(I)c1C(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000897473050 658855701 /nfs/dbraw/zinc/85/57/01/658855701.db2.gz QKQKKISPPXHQEO-JTQLQIEISA-N 1 2 399.236 1.854 10 0 GDAELO C[C@H](CNC(=O)C(=O)Nc1cc(F)ccc1Br)[NH+]1CCOCC1 ZINC000162632972 530569260 /nfs/dbraw/zinc/56/92/60/530569260.db2.gz YMDWPJVUWJRVOS-SNVBAGLBSA-N 1 2 388.237 1.364 10 0 GDAELO O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171531885 530600344 /nfs/dbraw/zinc/60/03/44/530600344.db2.gz PKZWBDGHEDUKNW-OAHLLOKOSA-N 1 2 385.917 1.993 10 0 GDAELO O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000171531885 530600348 /nfs/dbraw/zinc/60/03/48/530600348.db2.gz PKZWBDGHEDUKNW-OAHLLOKOSA-N 1 2 385.917 1.993 10 0 GDAELO O=C(NCCOc1ccc(Br)cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173796199 530637279 /nfs/dbraw/zinc/63/72/79/530637279.db2.gz BHHMDJFAWGOKJU-OAHLLOKOSA-N 1 2 398.301 1.944 10 0 GDAELO O=S(=O)(c1ccc(Cl)nc1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000178697301 530726280 /nfs/dbraw/zinc/72/62/80/530726280.db2.gz FGOVIWIXGBIMCQ-INIZCTEOSA-N 1 2 381.885 1.775 10 0 GDAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)Nc1ccc(F)c(Br)c1 ZINC000179885792 530752584 /nfs/dbraw/zinc/75/25/84/530752584.db2.gz AXMYOXNFTKLQMS-LLVKDONJSA-N 1 2 376.226 1.403 10 0 GDAELO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000180247154 530761598 /nfs/dbraw/zinc/76/15/98/530761598.db2.gz SSJRMQKJAKUQDO-WFASDCNBSA-N 1 2 396.285 1.567 10 0 GDAELO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000179662291 530747416 /nfs/dbraw/zinc/74/74/16/530747416.db2.gz DVQVURUEZGWZAU-CABCVRRESA-N 1 2 377.268 1.226 10 0 GDAELO Cn1cc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2cnc(Cl)c(Cl)c2)cn1 ZINC000181689506 530789310 /nfs/dbraw/zinc/78/93/10/530789310.db2.gz VEVBSVJGTCUSLM-LBPRGKRZSA-N 1 2 376.269 1.457 10 0 GDAELO Cc1ncc(C[NH+]2CCN(C(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)CC2)s1 ZINC000110942805 530871237 /nfs/dbraw/zinc/87/12/37/530871237.db2.gz UUFJMFWBKGTKHO-WMLDXEAASA-N 1 2 380.539 1.550 10 0 GDAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C)c2)C[C@@H]1C ZINC000117522689 530912934 /nfs/dbraw/zinc/91/29/34/530912934.db2.gz MGOUFVCMDDEHRR-ZDUSSCGKSA-N 1 2 398.301 1.875 10 0 GDAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C)c2)C[C@@H]1C ZINC000117522689 530912935 /nfs/dbraw/zinc/91/29/35/530912935.db2.gz MGOUFVCMDDEHRR-ZDUSSCGKSA-N 1 2 398.301 1.875 10 0 GDAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2C)C[C@@H]1C ZINC000117522832 530913486 /nfs/dbraw/zinc/91/34/86/530913486.db2.gz RTAUPPREPSBWQG-ZDUSSCGKSA-N 1 2 398.301 1.875 10 0 GDAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2C)C[C@@H]1C ZINC000117522832 530913488 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