smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cc4c(nn2)CC[NH2+]C4)CC3)cc1 ZINC001164670667 719514873 /nfs/dbraw/zinc/51/48/73/719514873.db2.gz DXLWQQVLSJJDAH-UHFFFAOYSA-N 2 2 397.498 2.133 20 0 GEADLP Fc1ccc(C[N@H+]2CCOCC23CCN(c2cc4c(nn2)CC[NH2+]C4)CC3)cc1 ZINC001164670667 719514883 /nfs/dbraw/zinc/51/48/83/719514883.db2.gz DXLWQQVLSJJDAH-UHFFFAOYSA-N 2 2 397.498 2.133 20 0 GEADLP COc1ccc(C)[nH+]c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740334 720826809 /nfs/dbraw/zinc/82/68/09/720826809.db2.gz KFPGPFRSFDVMLC-IPMKNSEASA-N 2 2 382.512 2.370 20 0 GEADLP COc1ccc(C)[nH+]c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740334 720826811 /nfs/dbraw/zinc/82/68/11/720826811.db2.gz KFPGPFRSFDVMLC-IPMKNSEASA-N 2 2 382.512 2.370 20 0 GEADLP COc1cc(C)c[nH+]c1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743116 720840972 /nfs/dbraw/zinc/84/09/72/720840972.db2.gz IPQRGJKPVQXMKA-GUDVDZBRSA-N 2 2 382.512 2.370 20 0 GEADLP COc1cc(C)c[nH+]c1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743116 720840973 /nfs/dbraw/zinc/84/09/73/720840973.db2.gz IPQRGJKPVQXMKA-GUDVDZBRSA-N 2 2 382.512 2.370 20 0 GEADLP Cc1cccc2c1cc[nH+]c2N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001164749197 720955840 /nfs/dbraw/zinc/95/58/40/720955840.db2.gz AKSWNXOIJLTKPH-UHFFFAOYSA-N 2 2 379.464 2.385 20 0 GEADLP Cc1c[nH+]c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)nc1N1CCCC1 ZINC001164773124 721071478 /nfs/dbraw/zinc/07/14/78/721071478.db2.gz WMTFKVXUIHBQAO-OALUTQOASA-N 2 2 381.528 2.077 20 0 GEADLP Cc1c[nH+]c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)nc1N1CCCC1 ZINC001164773124 721071483 /nfs/dbraw/zinc/07/14/83/721071483.db2.gz WMTFKVXUIHBQAO-OALUTQOASA-N 2 2 381.528 2.077 20 0 GEADLP Cc1nc(N2CCCC2)cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)[nH+]1 ZINC001164762592 721081122 /nfs/dbraw/zinc/08/11/22/721081122.db2.gz FESBFXASQDADRT-OALUTQOASA-N 2 2 381.528 2.077 20 0 GEADLP Cc1nc(N2CCCC2)cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)[nH+]1 ZINC001164762592 721081127 /nfs/dbraw/zinc/08/11/27/721081127.db2.gz FESBFXASQDADRT-OALUTQOASA-N 2 2 381.528 2.077 20 0 GEADLP COC(=O)c1c(C)cc(C)[nH+]c1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164761745 721125909 /nfs/dbraw/zinc/12/59/09/721125909.db2.gz BBKCOPSKJUXXGD-ZWKOTPCHSA-N 2 2 383.496 2.177 20 0 GEADLP COC(=O)c1c(C)cc(C)[nH+]c1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164761745 721125910 /nfs/dbraw/zinc/12/59/10/721125910.db2.gz BBKCOPSKJUXXGD-ZWKOTPCHSA-N 2 2 383.496 2.177 20 0 GEADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc3c(n1)C[NH2+]C3)C2 ZINC001164909029 721754202 /nfs/dbraw/zinc/75/42/02/721754202.db2.gz DAXLRNOGEOIZOB-UHFFFAOYSA-N 2 2 376.464 2.263 20 0 GEADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc3c(n1)C[NH2+]C3)C2 ZINC001164909029 721754204 /nfs/dbraw/zinc/75/42/04/721754204.db2.gz DAXLRNOGEOIZOB-UHFFFAOYSA-N 2 2 376.464 2.263 20 0 GEADLP c1cncc(C[N@@H+]2CCC3(C2)CCN(c2cc(N4CCOCC4)[nH+]cn2)CC3)c1 ZINC001164954883 722013274 /nfs/dbraw/zinc/01/32/74/722013274.db2.gz QHDCINMNASTGDK-UHFFFAOYSA-N 2 2 394.523 2.201 20 0 GEADLP c1cncc(C[N@H+]2CCC3(C2)CCN(c2cc(N4CCOCC4)[nH+]cn2)CC3)c1 ZINC001164954883 722013275 /nfs/dbraw/zinc/01/32/75/722013275.db2.gz QHDCINMNASTGDK-UHFFFAOYSA-N 2 2 394.523 2.201 20 0 GEADLP Cn1cc(Br)cc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051470858 531741808 /nfs/dbraw/zinc/74/18/08/531741808.db2.gz FPTYUEOGVOMSIS-UHFFFAOYSA-N 2 2 383.334 2.076 20 0 GEADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)CC1(c2ccc(Br)cc2)CC1 ZINC000121130766 532014674 /nfs/dbraw/zinc/01/46/74/532014674.db2.gz HNCAADXZMFFHHW-UHFFFAOYSA-N 2 2 380.330 2.187 20 0 GEADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC1(c2ccc(Br)cc2)CC1 ZINC000121130766 532014681 /nfs/dbraw/zinc/01/46/81/532014681.db2.gz HNCAADXZMFFHHW-UHFFFAOYSA-N 2 2 380.330 2.187 20 0 GEADLP C[C@H]1C[NH+]=C(N2CC[NH+](CCC(=O)N3CCc4sccc4C3)CC2)S1 ZINC000175798303 532114813 /nfs/dbraw/zinc/11/48/13/532114813.db2.gz MGNVOMHPGPMYFU-AWEZNQCLSA-N 2 2 378.567 2.132 20 0 GEADLP COc1cc(Br)ccc1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177140746 532162835 /nfs/dbraw/zinc/16/28/35/532162835.db2.gz KVYIUFSPUSLZTB-UHFFFAOYSA-N 2 2 384.318 2.214 20 0 GEADLP O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129119175 532172607 /nfs/dbraw/zinc/17/26/07/532172607.db2.gz SCXIGZNJNOEKGJ-CABCVRRESA-N 2 2 389.323 2.387 20 0 GEADLP O[C@H](COc1c(Cl)cccc1Cl)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129119175 532172611 /nfs/dbraw/zinc/17/26/11/532172611.db2.gz SCXIGZNJNOEKGJ-CABCVRRESA-N 2 2 389.323 2.387 20 0 GEADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000131325369 532195546 /nfs/dbraw/zinc/19/55/46/532195546.db2.gz JAZMWSRSCHZSHN-SJORKVTESA-N 2 2 386.323 2.441 20 0 GEADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000131325369 532195551 /nfs/dbraw/zinc/19/55/51/532195551.db2.gz JAZMWSRSCHZSHN-SJORKVTESA-N 2 2 386.323 2.441 20 0 GEADLP C[NH+]1CCC(CNC(=O)CSCc2cscn2)([NH+]2CCCCC2)CC1 ZINC000132780329 532221123 /nfs/dbraw/zinc/22/11/23/532221123.db2.gz KVIFIMYYBJFOGP-UHFFFAOYSA-N 2 2 382.599 2.443 20 0 GEADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000181034481 532289313 /nfs/dbraw/zinc/28/93/13/532289313.db2.gz CZNNXXSPBRMSGU-RHSMWYFYSA-N 2 2 396.329 2.033 20 0 GEADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccccc1I ZINC000181086830 532291060 /nfs/dbraw/zinc/29/10/60/532291060.db2.gz NWCBNJQOSPQEPW-UHFFFAOYSA-N 2 2 398.248 2.448 20 0 GEADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccccc1I ZINC000181086830 532291061 /nfs/dbraw/zinc/29/10/61/532291061.db2.gz NWCBNJQOSPQEPW-UHFFFAOYSA-N 2 2 398.248 2.448 20 0 GEADLP COc1cc2[nH+]ccc(NC[C@@H]3CN(C)CC[N@@H+]3C)c2cc1Br ZINC000425232627 532377640 /nfs/dbraw/zinc/37/76/40/532377640.db2.gz UVSCIAPZSXPZGT-GFCCVEGCSA-N 2 2 379.302 2.086 20 0 GEADLP COc1cc2[nH+]ccc(NC[C@@H]3CN(C)CC[N@H+]3C)c2cc1Br ZINC000425232627 532377647 /nfs/dbraw/zinc/37/76/47/532377647.db2.gz UVSCIAPZSXPZGT-GFCCVEGCSA-N 2 2 379.302 2.086 20 0 GEADLP OC1CC[NH+](Cc2ccc(Br)cc2C[NH+]2CCC(O)CC2)CC1 ZINC000192060576 532382879 /nfs/dbraw/zinc/38/28/79/532382879.db2.gz HTIQLGAPIDKNJY-UHFFFAOYSA-N 2 2 383.330 2.363 20 0 GEADLP CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+](C)CCC[NH+](C)C ZINC000517852718 532428555 /nfs/dbraw/zinc/42/85/55/532428555.db2.gz UTALVDXQRICVPE-CYBMUJFWSA-N 2 2 386.334 2.346 20 0 GEADLP CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+](C)CCC[NH+](C)C ZINC000517852718 532428559 /nfs/dbraw/zinc/42/85/59/532428559.db2.gz UTALVDXQRICVPE-CYBMUJFWSA-N 2 2 386.334 2.346 20 0 GEADLP C[N@H+](CC(=O)NC[C@@H]1CSCC[NH+]1Cc1ccccc1)[C@@H]1CCSC1 ZINC000429049888 532470295 /nfs/dbraw/zinc/47/02/95/532470295.db2.gz XFCLLEFPJAGSND-QZTJIDSGSA-N 2 2 379.595 2.158 20 0 GEADLP C[N@@H+](CC(=O)NC[C@@H]1CSCC[NH+]1Cc1ccccc1)[C@@H]1CCSC1 ZINC000429049888 532470299 /nfs/dbraw/zinc/47/02/99/532470299.db2.gz XFCLLEFPJAGSND-QZTJIDSGSA-N 2 2 379.595 2.158 20 0 GEADLP C[NH+](CC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)[C@@H]1CCSC1 ZINC000429049888 532470305 /nfs/dbraw/zinc/47/03/05/532470305.db2.gz XFCLLEFPJAGSND-QZTJIDSGSA-N 2 2 379.595 2.158 20 0 GEADLP C[NH+](CC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)[C@@H]1CCSC1 ZINC000429049888 532470310 /nfs/dbraw/zinc/47/03/10/532470310.db2.gz XFCLLEFPJAGSND-QZTJIDSGSA-N 2 2 379.595 2.158 20 0 GEADLP CC[NH2+]CCCNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000562806710 532483797 /nfs/dbraw/zinc/48/37/97/532483797.db2.gz FKYNAENHJWLSPG-UHFFFAOYSA-N 2 2 382.306 2.247 20 0 GEADLP C[N@H+]1CCN(C(=O)CCc2nc3cc(Br)ccc3s2)[C@@H](C[NH3+])C1 ZINC000520404215 532492344 /nfs/dbraw/zinc/49/23/44/532492344.db2.gz VRXGCQASNOORHK-LBPRGKRZSA-N 2 2 397.342 2.093 20 0 GEADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCn3cc(Br)cn3)c2cc1C ZINC000563011490 532493576 /nfs/dbraw/zinc/49/35/76/532493576.db2.gz OQAIFZOXBROXGS-HNNXBMFYSA-N 2 2 392.301 2.263 20 0 GEADLP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc(I)c1OC ZINC000237278065 532505513 /nfs/dbraw/zinc/50/55/13/532505513.db2.gz LMFOROLZFQPTSB-GFCCVEGCSA-N 2 2 390.265 2.492 20 0 GEADLP COc1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc(I)c1OC ZINC000237278065 532505528 /nfs/dbraw/zinc/50/55/28/532505528.db2.gz LMFOROLZFQPTSB-GFCCVEGCSA-N 2 2 390.265 2.492 20 0 GEADLP C[N@@H+]1CCN(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000521583230 532515413 /nfs/dbraw/zinc/51/54/13/532515413.db2.gz OTJXLJQWAHDTQA-NSHDSACASA-N 2 2 380.798 2.388 20 0 GEADLP C[N@H+]1CCN(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000521583230 532515416 /nfs/dbraw/zinc/51/54/16/532515416.db2.gz OTJXLJQWAHDTQA-NSHDSACASA-N 2 2 380.798 2.388 20 0 GEADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000653594973 532536637 /nfs/dbraw/zinc/53/66/37/532536637.db2.gz ONGFBARBJYZCQH-MRXNPFEDSA-N 2 2 390.355 2.445 20 0 GEADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000653594973 532536644 /nfs/dbraw/zinc/53/66/44/532536644.db2.gz ONGFBARBJYZCQH-MRXNPFEDSA-N 2 2 390.355 2.445 20 0 GEADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000653594973 532536652 /nfs/dbraw/zinc/53/66/52/532536652.db2.gz ONGFBARBJYZCQH-MRXNPFEDSA-N 2 2 390.355 2.445 20 0 GEADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000653594973 532536660 /nfs/dbraw/zinc/53/66/60/532536660.db2.gz ONGFBARBJYZCQH-MRXNPFEDSA-N 2 2 390.355 2.445 20 0 GEADLP CN(C)c1cc(NC(=O)Nc2cnn(CC[NH+](C)C)c2)[nH+]cc1Br ZINC000653653575 532539938 /nfs/dbraw/zinc/53/99/38/532539938.db2.gz LDLLYOYIRUTIAJ-UHFFFAOYSA-N 2 2 396.293 2.312 20 0 GEADLP Cc1nccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1Br ZINC000526096549 532540533 /nfs/dbraw/zinc/54/05/33/532540533.db2.gz YAXWJQCFUQSELA-UHFFFAOYSA-N 2 2 398.349 2.064 20 0 GEADLP Cc1nccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1Br ZINC000526096549 532540538 /nfs/dbraw/zinc/54/05/38/532540538.db2.gz YAXWJQCFUQSELA-UHFFFAOYSA-N 2 2 398.349 2.064 20 0 GEADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000653072421 532529631 /nfs/dbraw/zinc/52/96/31/532529631.db2.gz QVODZCZIFWENJL-LSDHHAIUSA-N 2 2 387.311 2.202 20 0 GEADLP CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000296599086 532530135 /nfs/dbraw/zinc/53/01/35/532530135.db2.gz YFDLRXCUNZPNAO-SWLSCSKDSA-N 2 2 384.318 2.146 20 0 GEADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000565173730 532550639 /nfs/dbraw/zinc/55/06/39/532550639.db2.gz VAKWPJNBWWYWSV-NVXWUHKLSA-N 2 2 387.318 2.130 20 0 GEADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000565173730 532550642 /nfs/dbraw/zinc/55/06/42/532550642.db2.gz VAKWPJNBWWYWSV-NVXWUHKLSA-N 2 2 387.318 2.130 20 0 GEADLP Cc1cc(Br)cn2c(CN3CCC[N@@H+]([C@@H](C)CO)CC3)c[nH+]c12 ZINC000375484727 532561800 /nfs/dbraw/zinc/56/18/00/532561800.db2.gz OSKCXTGHXZUJTK-AWEZNQCLSA-N 2 2 381.318 2.294 20 0 GEADLP Cc1cc(Br)cn2c(CN3CCC[N@H+]([C@@H](C)CO)CC3)c[nH+]c12 ZINC000375484727 532561803 /nfs/dbraw/zinc/56/18/03/532561803.db2.gz OSKCXTGHXZUJTK-AWEZNQCLSA-N 2 2 381.318 2.294 20 0 GEADLP Clc1ccc(OCC[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000262411480 532592973 /nfs/dbraw/zinc/59/29/73/532592973.db2.gz DEMUMWUAVSEOTG-AWEZNQCLSA-N 2 2 388.737 2.461 20 0 GEADLP CO[C@@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccccc1Br ZINC000654857394 532571758 /nfs/dbraw/zinc/57/17/58/532571758.db2.gz QDZLWXINDAFCJH-QGZVFWFLSA-N 2 2 398.345 2.279 20 0 GEADLP Cc1cccc(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1Br ZINC000528784524 532581190 /nfs/dbraw/zinc/58/11/90/532581190.db2.gz NYYLPKXOFAMAAS-UHFFFAOYSA-N 2 2 382.346 2.442 20 0 GEADLP O=C(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)Nc1cccc(Br)c1 ZINC000566245652 532601673 /nfs/dbraw/zinc/60/16/73/532601673.db2.gz ONFAXTHDAPYWAC-XHSDSOJGSA-N 2 2 382.302 2.134 20 0 GEADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccc(Cl)cc1 ZINC000655914306 532602347 /nfs/dbraw/zinc/60/23/47/532602347.db2.gz XMWKKZFVLXJVAI-NWDGAFQWSA-N 2 2 375.782 2.352 20 0 GEADLP CC[N@H+](C)C[C@H](O)CN1CC[NH+]([C@H](C)c2ccc(Br)cc2)CC1 ZINC000567286117 532648367 /nfs/dbraw/zinc/64/83/67/532648367.db2.gz AWEHGDMNBGNBFN-QAPCUYQASA-N 2 2 384.362 2.440 20 0 GEADLP CC[N@@H+](C)C[C@H](O)CN1CC[NH+]([C@H](C)c2ccc(Br)cc2)CC1 ZINC000567286117 532648374 /nfs/dbraw/zinc/64/83/74/532648374.db2.gz AWEHGDMNBGNBFN-QAPCUYQASA-N 2 2 384.362 2.440 20 0 GEADLP CC(C)Oc1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])ccc1Br ZINC000632961871 532652907 /nfs/dbraw/zinc/65/29/07/532652907.db2.gz UZPFTQCDSBQYFV-CYBMUJFWSA-N 2 2 385.306 2.343 20 0 GEADLP CC(C)Oc1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])ccc1Br ZINC000632961871 532652915 /nfs/dbraw/zinc/65/29/15/532652915.db2.gz UZPFTQCDSBQYFV-CYBMUJFWSA-N 2 2 385.306 2.343 20 0 GEADLP O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266041208 532700244 /nfs/dbraw/zinc/70/02/44/532700244.db2.gz VUNCSKODXUCGCK-ZBFHGGJFSA-N 2 2 389.323 2.387 20 0 GEADLP O[C@H](COc1cc(Cl)ccc1Cl)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266041208 532700249 /nfs/dbraw/zinc/70/02/49/532700249.db2.gz VUNCSKODXUCGCK-ZBFHGGJFSA-N 2 2 389.323 2.387 20 0 GEADLP C[C@H](CC[NH+]1CC[S@](=O)[C@@H](C)[C@H]1C)CC[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000411288491 532753150 /nfs/dbraw/zinc/75/31/50/532753150.db2.gz DSXQRZDVQVGTML-VTKHAUGOSA-N 2 2 376.632 2.085 20 0 GEADLP C[C@H](CC[NH+]1CC[S@](=O)[C@@H](C)[C@H]1C)CC[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000411288491 532753153 /nfs/dbraw/zinc/75/31/53/532753153.db2.gz DSXQRZDVQVGTML-VTKHAUGOSA-N 2 2 376.632 2.085 20 0 GEADLP C[C@@H](CC[NH+]1CC[S@](=O)[C@H](C)[C@@H]1C)CC[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000411288491 532753157 /nfs/dbraw/zinc/75/31/57/532753157.db2.gz DSXQRZDVQVGTML-VTKHAUGOSA-N 2 2 376.632 2.085 20 0 GEADLP C[C@@H](CC[NH+]1CC[S@](=O)[C@H](C)[C@@H]1C)CC[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000411288491 532753161 /nfs/dbraw/zinc/75/31/61/532753161.db2.gz DSXQRZDVQVGTML-VTKHAUGOSA-N 2 2 376.632 2.085 20 0 GEADLP Cc1cc(Br)cn2c(C[NH2+]C[C@H]3CCCCS3(=O)=O)c[nH+]c12 ZINC000542483195 532773444 /nfs/dbraw/zinc/77/34/44/532773444.db2.gz LKIPQEKNVCKNNB-CQSZACIVSA-N 2 2 386.315 2.462 20 0 GEADLP Cc1cc(NC(=O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)ccc1Br ZINC000555669636 532808568 /nfs/dbraw/zinc/80/85/68/532808568.db2.gz GOUZGJQASCYVHY-UHFFFAOYSA-N 2 2 378.274 2.241 20 0 GEADLP COc1cc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc(I)c1OC ZINC000414928666 532836196 /nfs/dbraw/zinc/83/61/96/532836196.db2.gz NDPFPIQFZAOBLB-MFKMUULPSA-N 2 2 390.265 2.396 20 0 GEADLP O=C1N[C@H]2C[N@H+](Cc3ccc(Br)s3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415138743 532838457 /nfs/dbraw/zinc/83/84/57/532838457.db2.gz KNRIPLHMZUDBJP-KBPBESRZSA-N 2 2 399.358 2.231 20 0 GEADLP O=C1N[C@H]2C[N@@H+](Cc3ccc(Br)s3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415138743 532838462 /nfs/dbraw/zinc/83/84/62/532838462.db2.gz KNRIPLHMZUDBJP-KBPBESRZSA-N 2 2 399.358 2.231 20 0 GEADLP O=C1N[C@@H]2C[N@H+](Cc3csc(Br)c3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415134823 532838524 /nfs/dbraw/zinc/83/85/24/532838524.db2.gz FBXUCVZOHZIEHG-KGLIPLIRSA-N 2 2 399.358 2.231 20 0 GEADLP O=C1N[C@@H]2C[N@@H+](Cc3csc(Br)c3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415134823 532838526 /nfs/dbraw/zinc/83/85/26/532838526.db2.gz FBXUCVZOHZIEHG-KGLIPLIRSA-N 2 2 399.358 2.231 20 0 GEADLP CC[N@H+](CCO)CC[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000274363587 532848331 /nfs/dbraw/zinc/84/83/31/532848331.db2.gz DVZXQPMWCQNIQO-UHFFFAOYSA-N 2 2 397.260 2.463 20 0 GEADLP CC[N@@H+](CCO)CC[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000274363587 532848335 /nfs/dbraw/zinc/84/83/35/532848335.db2.gz DVZXQPMWCQNIQO-UHFFFAOYSA-N 2 2 397.260 2.463 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[NH2+][C@H](C)[C@@H]3C)[nH+]c12 ZINC000332281520 532851539 /nfs/dbraw/zinc/85/15/39/532851539.db2.gz IAVGDWJHZQOJHA-NEPJUHHUSA-N 2 2 380.290 2.297 20 0 GEADLP [NH3+]CC[C@H](NC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000415995710 532862531 /nfs/dbraw/zinc/86/25/31/532862531.db2.gz NXNCVEMUOUUIKH-AWEZNQCLSA-N 2 2 378.826 2.447 20 0 GEADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccccc3Br)CC2)CC1 ZINC000289886583 532866896 /nfs/dbraw/zinc/86/68/96/532866896.db2.gz SLOGJXZLHDFQIZ-UHFFFAOYSA-N 2 2 380.330 2.435 20 0 GEADLP O=S(=O)(c1ccc(Cl)s1)N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000333845492 532873889 /nfs/dbraw/zinc/87/38/89/532873889.db2.gz MCSIDBIYPZWDLE-ZDUSSCGKSA-N 2 2 377.963 2.098 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)[nH+]c12 ZINC000333842626 532873895 /nfs/dbraw/zinc/87/38/95/532873895.db2.gz VLQIJWGUSXRPRP-SWLSCSKDSA-N 2 2 392.301 2.299 20 0 GEADLP Brc1cccc(N2CC[C@H]([NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)c1 ZINC000423086597 532893249 /nfs/dbraw/zinc/89/32/49/532893249.db2.gz MHFAUFQXZVJSGW-JQHSSLGASA-N 2 2 380.330 2.384 20 0 GEADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000423084435 532893701 /nfs/dbraw/zinc/89/37/01/532893701.db2.gz HYUUGVWUBNEOMN-CZUORRHYSA-N 2 2 379.302 2.491 20 0 GEADLP C[N@H+](CC(=O)NCc1ccc(Cl)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362254150 532895464 /nfs/dbraw/zinc/89/54/64/532895464.db2.gz GRWYNQUCWXXTOA-HNNXBMFYSA-N 2 2 384.977 2.118 20 0 GEADLP C[N@@H+](CC(=O)NCc1ccc(Cl)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362254150 532895467 /nfs/dbraw/zinc/89/54/67/532895467.db2.gz GRWYNQUCWXXTOA-HNNXBMFYSA-N 2 2 384.977 2.118 20 0 GEADLP CN(CC(=O)NCc1ccc(Cl)s1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362254150 532895469 /nfs/dbraw/zinc/89/54/69/532895469.db2.gz GRWYNQUCWXXTOA-HNNXBMFYSA-N 2 2 384.977 2.118 20 0 GEADLP CN(CC(=O)NCc1ccc(Cl)s1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362254150 532895472 /nfs/dbraw/zinc/89/54/72/532895472.db2.gz GRWYNQUCWXXTOA-HNNXBMFYSA-N 2 2 384.977 2.118 20 0 GEADLP Brc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000362632768 532896523 /nfs/dbraw/zinc/89/65/23/532896523.db2.gz BHKGWEHJVHKUSE-BEFAXECRSA-N 2 2 394.357 2.433 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3cccc(Br)c3)C2)CC1 ZINC000365258386 532909278 /nfs/dbraw/zinc/90/92/78/532909278.db2.gz FDMTXLZEWOFZMD-MRXNPFEDSA-N 2 2 395.345 2.417 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3cccc(Br)c3)C2)CC1 ZINC000365258386 532909280 /nfs/dbraw/zinc/90/92/80/532909280.db2.gz FDMTXLZEWOFZMD-MRXNPFEDSA-N 2 2 395.345 2.417 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3cccc(Br)c3)C2)CC1 ZINC000369277304 532937976 /nfs/dbraw/zinc/93/79/76/532937976.db2.gz LCSNIDTYTPYOOY-INIZCTEOSA-N 2 2 380.330 2.276 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3cccc(Br)c3)C2)CC1 ZINC000369277304 532937977 /nfs/dbraw/zinc/93/79/77/532937977.db2.gz LCSNIDTYTPYOOY-INIZCTEOSA-N 2 2 380.330 2.276 20 0 GEADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000371320751 532947586 /nfs/dbraw/zinc/94/75/86/532947586.db2.gz JAZMWSRSCHZSHN-IRXDYDNUSA-N 2 2 386.323 2.441 20 0 GEADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000371320751 532947587 /nfs/dbraw/zinc/94/75/87/532947587.db2.gz JAZMWSRSCHZSHN-IRXDYDNUSA-N 2 2 386.323 2.441 20 0 GEADLP FC(F)Oc1ccc2[nH+]cc(-c3nn[nH]n3)c(NCC[NH+]3CCCCC3)c2c1 ZINC000737639090 598600693 /nfs/dbraw/zinc/60/06/93/598600693.db2.gz NHASGKYMJAXCCA-UHFFFAOYSA-N 2 2 389.410 2.336 20 0 GEADLP CC(C)OCCC[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000735896901 598716316 /nfs/dbraw/zinc/71/63/16/598716316.db2.gz YYDPUVVSTWBNHZ-UHFFFAOYSA-N 2 2 381.484 2.352 20 0 GEADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)c2c1 ZINC000737248857 599320188 /nfs/dbraw/zinc/32/01/88/599320188.db2.gz NIRITVHAGGOCBT-MSOLQXFVSA-N 2 2 393.495 2.067 20 0 GEADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000823791484 599507113 /nfs/dbraw/zinc/50/71/13/599507113.db2.gz DDRHEVUKCPKPQR-UHFFFAOYSA-N 2 2 393.495 2.354 20 0 GEADLP COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000821702322 599580546 /nfs/dbraw/zinc/58/05/46/599580546.db2.gz PRJYGMHLGGPAQI-MRXNPFEDSA-N 2 2 386.500 2.062 20 0 GEADLP COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000821702322 599580549 /nfs/dbraw/zinc/58/05/49/599580549.db2.gz PRJYGMHLGGPAQI-MRXNPFEDSA-N 2 2 386.500 2.062 20 0 GEADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CC[NH+](CCOC(C)C)CC1 ZINC000822334231 606042231 /nfs/dbraw/zinc/04/22/31/606042231.db2.gz AFXWUFXLSAZCQL-UHFFFAOYSA-N 2 2 381.484 2.270 20 0 GEADLP COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000821649940 606319075 /nfs/dbraw/zinc/31/90/75/606319075.db2.gz HBPLBRUSUYCACB-GOSISDBHSA-N 2 2 386.500 2.133 20 0 GEADLP COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000821649940 606319076 /nfs/dbraw/zinc/31/90/76/606319076.db2.gz HBPLBRUSUYCACB-GOSISDBHSA-N 2 2 386.500 2.133 20 0 GEADLP C[NH+](C)CCCOC1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000821584442 606403013 /nfs/dbraw/zinc/40/30/13/606403013.db2.gz DISOYHJPGBZPGO-UHFFFAOYSA-N 2 2 381.484 2.352 20 0 GEADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(-c4nn[nH]n4)cc3)[nH+]c2)CC1 ZINC000821583481 607229888 /nfs/dbraw/zinc/22/98/88/607229888.db2.gz XCKZPGQVSOMPCH-UHFFFAOYSA-N 2 2 378.484 2.404 20 0 GEADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824548339 609152655 /nfs/dbraw/zinc/15/26/55/609152655.db2.gz WISKAESUEFDNIJ-AGRHKRQWSA-N 2 2 388.491 2.424 20 0 GEADLP OCC[NH+]1CCN(CCCC[NH2+]Cc2cccc(Br)c2F)CC1 ZINC000449147118 650032960 /nfs/dbraw/zinc/03/29/60/650032960.db2.gz FIELIVBUTFQNSJ-UHFFFAOYSA-N 2 2 388.325 2.068 20 0 GEADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000501543808 650394708 /nfs/dbraw/zinc/39/47/08/650394708.db2.gz AYADCBSRHFZSGE-CZUORRHYSA-N 2 2 396.329 2.415 20 0 GEADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000462390793 650477694 /nfs/dbraw/zinc/47/76/94/650477694.db2.gz HBGDDUIGDXKJPA-KSSFIOAISA-N 2 2 380.330 2.481 20 0 GEADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000462390793 650477697 /nfs/dbraw/zinc/47/76/97/650477697.db2.gz HBGDDUIGDXKJPA-KSSFIOAISA-N 2 2 380.330 2.481 20 0 GEADLP CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)s1 ZINC000513090498 650557576 /nfs/dbraw/zinc/55/75/76/650557576.db2.gz UWKLJDDENMYNLX-WDEREUQCSA-N 2 2 382.559 2.372 20 0 GEADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(Br)c(F)c2F)C1 ZINC000527654847 650681396 /nfs/dbraw/zinc/68/13/96/650681396.db2.gz UEQXFFQMASEFSV-GFCCVEGCSA-N 2 2 390.272 2.404 20 0 GEADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(Br)c(F)c2F)C1 ZINC000527654847 650681397 /nfs/dbraw/zinc/68/13/97/650681397.db2.gz UEQXFFQMASEFSV-GFCCVEGCSA-N 2 2 390.272 2.404 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)[nH+]c12 ZINC000487143751 650729307 /nfs/dbraw/zinc/72/93/07/650729307.db2.gz XHHNLZIDYHIVER-DOMZBBRYSA-N 2 2 379.302 2.262 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)[nH+]c12 ZINC000487143751 650729309 /nfs/dbraw/zinc/72/93/09/650729309.db2.gz XHHNLZIDYHIVER-DOMZBBRYSA-N 2 2 379.302 2.262 20 0 GEADLP CS[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C[C@@H]1[NH+](C)C ZINC000534826474 650780945 /nfs/dbraw/zinc/78/09/45/650780945.db2.gz QATCUFIGRIZYET-RCCFBDPRSA-N 2 2 379.595 2.281 20 0 GEADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(Cl)s1 ZINC000110099194 643306318 /nfs/dbraw/zinc/30/63/18/643306318.db2.gz JSJWQHVSAQPGGK-ZDUSSCGKSA-N 2 2 379.979 2.438 20 0 GEADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(Cl)s1 ZINC000110099194 643306332 /nfs/dbraw/zinc/30/63/32/643306332.db2.gz JSJWQHVSAQPGGK-ZDUSSCGKSA-N 2 2 379.979 2.438 20 0 GEADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000227907502 645394414 /nfs/dbraw/zinc/39/44/14/645394414.db2.gz IXXNCCGQCAEXRH-SECBINFHSA-N 2 2 380.739 2.451 20 0 GEADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000227907502 645394420 /nfs/dbraw/zinc/39/44/20/645394420.db2.gz IXXNCCGQCAEXRH-SECBINFHSA-N 2 2 380.739 2.451 20 0 GEADLP C[C@@H](C(=O)Nc1cccc(I)c1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261621410 645590708 /nfs/dbraw/zinc/59/07/08/645590708.db2.gz DKUACRXQOVZMMS-NHYWBVRUSA-N 2 2 387.265 2.289 20 0 GEADLP C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261621410 645590712 /nfs/dbraw/zinc/59/07/12/645590712.db2.gz DKUACRXQOVZMMS-NHYWBVRUSA-N 2 2 387.265 2.289 20 0 GEADLP COc1c(Br)cccc1C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000261932855 645613439 /nfs/dbraw/zinc/61/34/39/645613439.db2.gz CZLWVXSMPDSQJI-AWEZNQCLSA-N 2 2 384.318 2.277 20 0 GEADLP COc1c(Br)cccc1C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000261932855 645613444 /nfs/dbraw/zinc/61/34/44/645613444.db2.gz CZLWVXSMPDSQJI-AWEZNQCLSA-N 2 2 384.318 2.277 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3CCC[C@@H]3C[NH3+])[nH+]c12 ZINC000417995334 648268218 /nfs/dbraw/zinc/26/82/18/648268218.db2.gz ARMIQRBHASSOPI-CQSZACIVSA-N 2 2 380.290 2.080 20 0 GEADLP C[NH2+]C[C@@H](C)CNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000418017685 648270451 /nfs/dbraw/zinc/27/04/51/648270451.db2.gz HTVQNKMKHWHDBP-LLVKDONJSA-N 2 2 382.306 2.102 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N(C)C3CC([NH3+])C3)[nH+]c12 ZINC000418019342 648270963 /nfs/dbraw/zinc/27/09/63/648270963.db2.gz KUECRMHFLDWVGT-UHFFFAOYSA-N 2 2 380.290 2.079 20 0 GEADLP CN(CCOc1ccc(Br)cc1)C(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420363649 648414125 /nfs/dbraw/zinc/41/41/25/648414125.db2.gz OFIGEXJMHLLKAI-HNNXBMFYSA-N 2 2 386.334 2.249 20 0 GEADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ccc(I)cc1 ZINC000424337467 648623402 /nfs/dbraw/zinc/62/34/02/648623402.db2.gz RVRSLSIGWDNMQQ-LERXQTSPSA-N 2 2 387.265 2.478 20 0 GEADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC000430563602 648763485 /nfs/dbraw/zinc/76/34/85/648763485.db2.gz JLHQCQGMJZFOQF-NEPJUHHUSA-N 2 2 387.265 2.289 20 0 GEADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC000430563602 648763487 /nfs/dbraw/zinc/76/34/87/648763487.db2.gz JLHQCQGMJZFOQF-NEPJUHHUSA-N 2 2 387.265 2.289 20 0 GEADLP CN(C)c1cc[nH+]cc1C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000441338416 648825389 /nfs/dbraw/zinc/82/53/89/648825389.db2.gz WRNMKZITPFVQLH-UHFFFAOYSA-N 2 2 386.880 2.008 20 0 GEADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000551819058 651133623 /nfs/dbraw/zinc/13/36/23/651133623.db2.gz YBBKOUAKRWMMQU-FZMZJTMJSA-N 2 2 387.265 2.160 20 0 GEADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000551819058 651133628 /nfs/dbraw/zinc/13/36/28/651133628.db2.gz YBBKOUAKRWMMQU-FZMZJTMJSA-N 2 2 387.265 2.160 20 0 GEADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cn4cc(Br)ccc4n3)C2)CC1 ZINC000609337887 651616798 /nfs/dbraw/zinc/61/67/98/651616798.db2.gz BPLAZNREIHAJED-KRWDZBQOSA-N 2 2 392.345 2.309 20 0 GEADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cn4cc(Br)ccc4n3)C2)CC1 ZINC000609337887 651616802 /nfs/dbraw/zinc/61/68/02/651616802.db2.gz BPLAZNREIHAJED-KRWDZBQOSA-N 2 2 392.345 2.309 20 0 GEADLP COc1cc(Br)c(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1O ZINC000569243220 651704557 /nfs/dbraw/zinc/70/45/57/651704557.db2.gz GDGSTUQSBJUSPB-CYBMUJFWSA-N 2 2 385.302 2.351 20 0 GEADLP COc1cc(Br)c(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1O ZINC000569243220 651704566 /nfs/dbraw/zinc/70/45/66/651704566.db2.gz GDGSTUQSBJUSPB-CYBMUJFWSA-N 2 2 385.302 2.351 20 0 GEADLP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(Br)c1O ZINC000570093729 651746145 /nfs/dbraw/zinc/74/61/45/651746145.db2.gz QDOBABNJNDORRY-CYBMUJFWSA-N 2 2 385.302 2.351 20 0 GEADLP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(Br)c1O ZINC000570093729 651746148 /nfs/dbraw/zinc/74/61/48/651746148.db2.gz QDOBABNJNDORRY-CYBMUJFWSA-N 2 2 385.302 2.351 20 0 GEADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000570104566 651747357 /nfs/dbraw/zinc/74/73/57/651747357.db2.gz LWTPRJVMFNWBBN-ZDUSSCGKSA-N 2 2 381.464 2.280 20 0 GEADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000570104566 651747361 /nfs/dbraw/zinc/74/73/61/651747361.db2.gz LWTPRJVMFNWBBN-ZDUSSCGKSA-N 2 2 381.464 2.280 20 0 GEADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000573001272 651928148 /nfs/dbraw/zinc/92/81/48/651928148.db2.gz JOSGSICWDGEWJQ-UHFFFAOYSA-N 2 2 378.826 2.134 20 0 GEADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000573001272 651928154 /nfs/dbraw/zinc/92/81/54/651928154.db2.gz JOSGSICWDGEWJQ-UHFFFAOYSA-N 2 2 378.826 2.134 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(c2ccccc2Br)CC1 ZINC000617764771 651971943 /nfs/dbraw/zinc/97/19/43/651971943.db2.gz FTPNGMAEMLJYMA-UHFFFAOYSA-N 2 2 382.346 2.480 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(c2ccccc2Br)CC1 ZINC000617764771 651971947 /nfs/dbraw/zinc/97/19/47/651971947.db2.gz FTPNGMAEMLJYMA-UHFFFAOYSA-N 2 2 382.346 2.480 20 0 GEADLP Brc1ccc2ncc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)n2c1 ZINC000657750978 652201186 /nfs/dbraw/zinc/20/11/86/652201186.db2.gz MGPGNYXANMLOIO-OAHLLOKOSA-N 2 2 379.302 2.440 20 0 GEADLP CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000657858319 652211075 /nfs/dbraw/zinc/21/10/75/652211075.db2.gz ZHJGPEUGDWSPAQ-QGZVFWFLSA-N 2 2 382.346 2.380 20 0 GEADLP O=S(=O)(CC[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000581246534 652407539 /nfs/dbraw/zinc/40/75/39/652407539.db2.gz ZTOVCTXNXDFFLI-CYBMUJFWSA-N 2 2 387.343 2.297 20 0 GEADLP O=S(=O)(CC[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000581246534 652407541 /nfs/dbraw/zinc/40/75/41/652407541.db2.gz ZTOVCTXNXDFFLI-CYBMUJFWSA-N 2 2 387.343 2.297 20 0 GEADLP O=C(Nc1ccccc1Br)C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662256528 652454735 /nfs/dbraw/zinc/45/47/35/652454735.db2.gz IXLKGUDPISGVPU-CQSZACIVSA-N 2 2 382.302 2.088 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000763070289 652735386 /nfs/dbraw/zinc/73/53/86/652735386.db2.gz ZKFFBGOANCTMTJ-IXDOHACOSA-N 2 2 386.631 2.033 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000763070289 652735394 /nfs/dbraw/zinc/73/53/94/652735394.db2.gz ZKFFBGOANCTMTJ-IXDOHACOSA-N 2 2 386.631 2.033 20 0 GEADLP COc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(Br)cn1 ZINC000598596442 652823627 /nfs/dbraw/zinc/82/36/27/652823627.db2.gz RNUOIIKWWJBXOL-INIZCTEOSA-N 2 2 397.361 2.453 20 0 GEADLP COc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(Br)cn1 ZINC000598596442 652823629 /nfs/dbraw/zinc/82/36/29/652823629.db2.gz RNUOIIKWWJBXOL-INIZCTEOSA-N 2 2 397.361 2.453 20 0 GEADLP NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000638521262 652892405 /nfs/dbraw/zinc/89/24/05/652892405.db2.gz DAAUEHHIKAEGIW-INIZCTEOSA-N 2 2 379.551 2.050 20 0 GEADLP NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000638521262 652892408 /nfs/dbraw/zinc/89/24/08/652892408.db2.gz DAAUEHHIKAEGIW-INIZCTEOSA-N 2 2 379.551 2.050 20 0 GEADLP C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638914683 652912406 /nfs/dbraw/zinc/91/24/06/652912406.db2.gz CTECDJPYJVQPDG-GOEBONIOSA-N 2 2 379.551 2.396 20 0 GEADLP C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638914683 652912415 /nfs/dbraw/zinc/91/24/15/652912415.db2.gz CTECDJPYJVQPDG-GOEBONIOSA-N 2 2 379.551 2.396 20 0 GEADLP COc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1Br ZINC000602200212 653157415 /nfs/dbraw/zinc/15/74/15/653157415.db2.gz HPICTTZHYRKCBU-AWEZNQCLSA-N 2 2 396.329 2.356 20 0 GEADLP COc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1Br ZINC000602200212 653157422 /nfs/dbraw/zinc/15/74/22/653157422.db2.gz HPICTTZHYRKCBU-AWEZNQCLSA-N 2 2 396.329 2.356 20 0 GEADLP OC1CC[NH+](CCC[NH2+]Cc2ccc(I)s2)CC1 ZINC000602525922 653188294 /nfs/dbraw/zinc/18/82/94/653188294.db2.gz NHHAXDDXIUADNO-UHFFFAOYSA-N 2 2 380.295 2.289 20 0 GEADLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000641771213 653233242 /nfs/dbraw/zinc/23/32/42/653233242.db2.gz DZSGBKBKUNQRGK-CYBMUJFWSA-N 2 2 375.307 2.346 20 0 GEADLP Nc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786052 653233901 /nfs/dbraw/zinc/23/39/01/653233901.db2.gz NESCHNMFPKMHQZ-MRXNPFEDSA-N 2 2 387.355 2.462 20 0 GEADLP C[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)cn1 ZINC000641786427 653233909 /nfs/dbraw/zinc/23/39/09/653233909.db2.gz QJCUYYWKHOEPKR-RDJZCZTQSA-N 2 2 397.361 2.291 20 0 GEADLP Cc1c(Br)cncc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641787185 653234008 /nfs/dbraw/zinc/23/40/08/653234008.db2.gz QPEQYXPXCMKBAM-QGZVFWFLSA-N 2 2 397.361 2.039 20 0 GEADLP Brc1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000641789646 653234318 /nfs/dbraw/zinc/23/43/18/653234318.db2.gz OTTYIZZWNCPSJQ-SFHVURJKSA-N 2 2 382.346 2.335 20 0 GEADLP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCc3cc(Br)cc(F)c3C2)C1 ZINC000841019597 653705144 /nfs/dbraw/zinc/70/51/44/653705144.db2.gz CCVGQQYHIXVBKA-GFCCVEGCSA-N 2 2 384.293 2.144 20 0 GEADLP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCc3cc(Br)cc(F)c3C2)C1 ZINC000841019597 653705147 /nfs/dbraw/zinc/70/51/47/653705147.db2.gz CCVGQQYHIXVBKA-GFCCVEGCSA-N 2 2 384.293 2.144 20 0 GEADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2ccc(F)cc2Br)CC1 ZINC000863550472 653715618 /nfs/dbraw/zinc/71/56/18/653715618.db2.gz XINOXNMJXKGKJW-CVEARBPZSA-N 2 2 398.276 2.345 20 0 GEADLP C[N@H+](C[C@@H](O)CNc1ccc(N2CC[NH+](C)CC2)c(Br)c1)C1CC1 ZINC000819474802 653751302 /nfs/dbraw/zinc/75/13/02/653751302.db2.gz DZKASEHZXSZVKF-INIZCTEOSA-N 2 2 397.361 2.068 20 0 GEADLP C[N@@H+](C[C@@H](O)CNc1ccc(N2CC[NH+](C)CC2)c(Br)c1)C1CC1 ZINC000819474802 653751303 /nfs/dbraw/zinc/75/13/03/653751303.db2.gz DZKASEHZXSZVKF-INIZCTEOSA-N 2 2 397.361 2.068 20 0 GEADLP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000842478783 653757612 /nfs/dbraw/zinc/75/76/12/653757612.db2.gz JXVBZZIKAWOEGF-ZWKOTPCHSA-N 2 2 386.945 2.332 20 0 GEADLP [NH3+]CCCCCCC[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000842471485 653757648 /nfs/dbraw/zinc/75/76/48/653757648.db2.gz DIDVVNJLHMTLIH-UHFFFAOYSA-N 2 2 375.485 2.180 20 0 GEADLP O=C(C[NH+]1CCCC1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000822857541 653843335 /nfs/dbraw/zinc/84/33/35/653843335.db2.gz RRZOLIFMYZXNGM-UHFFFAOYSA-N 2 2 381.274 2.363 20 0 GEADLP [NH3+][C@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Br)cc1 ZINC000884317282 653872078 /nfs/dbraw/zinc/87/20/78/653872078.db2.gz QGQCUJGHMXHHNF-ZBFHGGJFSA-N 2 2 375.270 2.239 20 0 GEADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870910012 654207449 /nfs/dbraw/zinc/20/74/49/654207449.db2.gz VGLIJQRROQQJGW-INIZCTEOSA-N 2 2 398.345 2.266 20 0 GEADLP Cc1c(Cl)cccc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562651 654256671 /nfs/dbraw/zinc/25/66/71/654256671.db2.gz RSYCDDXBHIVMBP-IYBDPMFKSA-N 2 2 383.945 2.238 20 0 GEADLP Cc1c(Cl)cccc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562651 654256675 /nfs/dbraw/zinc/25/66/75/654256675.db2.gz RSYCDDXBHIVMBP-IYBDPMFKSA-N 2 2 383.945 2.238 20 0 GEADLP O=S(=O)(c1cccc(Cl)c1F)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562186 654256681 /nfs/dbraw/zinc/25/66/81/654256681.db2.gz GKYZNTPSUZIHCW-OKILXGFUSA-N 2 2 387.908 2.068 20 0 GEADLP O=S(=O)(c1cccc(Cl)c1F)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562186 654256686 /nfs/dbraw/zinc/25/66/86/654256686.db2.gz GKYZNTPSUZIHCW-OKILXGFUSA-N 2 2 387.908 2.068 20 0 GEADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)C[C@@H](O)c2ccccc2Br)CC1 ZINC000832672919 654286056 /nfs/dbraw/zinc/28/60/56/654286056.db2.gz NWLUOHWAIVGOIS-QGZVFWFLSA-N 2 2 398.345 2.015 20 0 GEADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@@H](O)c2ccccc2Br)CC1 ZINC000832672919 654286061 /nfs/dbraw/zinc/28/60/61/654286061.db2.gz NWLUOHWAIVGOIS-QGZVFWFLSA-N 2 2 398.345 2.015 20 0 GEADLP O=C(c1ccc(Cl)cc1Cl)N1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923301777 654442763 /nfs/dbraw/zinc/44/27/63/654442763.db2.gz XOENRYBQHDHXOM-CQSZACIVSA-N 2 2 384.307 2.130 20 0 GEADLP C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518371 654459203 /nfs/dbraw/zinc/45/92/03/654459203.db2.gz LCIWYKRVFILSBA-RWMBFGLXSA-N 2 2 399.276 2.160 20 0 GEADLP C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518371 654459207 /nfs/dbraw/zinc/45/92/07/654459207.db2.gz LCIWYKRVFILSBA-RWMBFGLXSA-N 2 2 399.276 2.160 20 0 GEADLP Clc1nccc2cc(C[NH2+][C@H]3CCN(CC[NH+]4CCOCC4)C3)sc21 ZINC000894255703 654459995 /nfs/dbraw/zinc/45/99/95/654459995.db2.gz IBXULFVUOKAMDV-HNNXBMFYSA-N 2 2 380.945 2.446 20 0 GEADLP O=S(=O)(N1CCC(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1)C(F)(F)F ZINC000925041062 654532217 /nfs/dbraw/zinc/53/22/17/654532217.db2.gz TVVWBIWWXIFKRA-CABCVRRESA-N 2 2 383.480 2.155 20 0 GEADLP O=S(=O)(N1CCC(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1)C(F)(F)F ZINC000925041062 654532219 /nfs/dbraw/zinc/53/22/19/654532219.db2.gz TVVWBIWWXIFKRA-CABCVRRESA-N 2 2 383.480 2.155 20 0 GEADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2nnc(-c3cccc(Cl)c3)s2)CC1 ZINC000926096045 654558965 /nfs/dbraw/zinc/55/89/65/654558965.db2.gz RQSQEGBVKVFRFV-UHFFFAOYSA-N 2 2 380.905 2.403 20 0 GEADLP COCCN1CC[N@H+](C)C2(CCN(c3cc4cc(OC)ccc4c[nH+]3)CC2)C1=O ZINC001164638074 719277953 /nfs/dbraw/zinc/27/79/53/719277953.db2.gz CNZWYHITCXPJRQ-UHFFFAOYSA-N 2 2 398.507 2.003 20 0 GEADLP COCCN1CC[N@@H+](C)C2(CCN(c3cc4cc(OC)ccc4c[nH+]3)CC2)C1=O ZINC001164638074 719277955 /nfs/dbraw/zinc/27/79/55/719277955.db2.gz CNZWYHITCXPJRQ-UHFFFAOYSA-N 2 2 398.507 2.003 20 0 GEADLP CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cccc(N3CCOCC3)[nH+]1)CC2 ZINC001164652128 719313666 /nfs/dbraw/zinc/31/36/66/719313666.db2.gz NYMKEHPVRMWIQC-UHFFFAOYSA-N 2 2 384.528 2.320 20 0 GEADLP COc1ccc(C)[nH+]c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740325 720826579 /nfs/dbraw/zinc/82/65/79/720826579.db2.gz KFPGPFRSFDVMLC-CEXWTWQISA-N 2 2 382.512 2.370 20 0 GEADLP COc1ccc(C)[nH+]c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740325 720826580 /nfs/dbraw/zinc/82/65/80/720826580.db2.gz KFPGPFRSFDVMLC-CEXWTWQISA-N 2 2 382.512 2.370 20 0 GEADLP COc1cc(C)c[nH+]c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743112 720841009 /nfs/dbraw/zinc/84/10/09/720841009.db2.gz IPQRGJKPVQXMKA-CEXWTWQISA-N 2 2 382.512 2.370 20 0 GEADLP COc1cc(C)c[nH+]c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743112 720841011 /nfs/dbraw/zinc/84/10/11/720841011.db2.gz IPQRGJKPVQXMKA-CEXWTWQISA-N 2 2 382.512 2.370 20 0 GEADLP COc1ccc2cc[nH+]c(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)c2c1 ZINC001164752459 720960606 /nfs/dbraw/zinc/96/06/06/720960606.db2.gz YMDCNNGDUASFPN-UHFFFAOYSA-N 2 2 395.463 2.086 20 0 GEADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164773864 721175641 /nfs/dbraw/zinc/17/56/41/721175641.db2.gz XMYCNOZKEVMICZ-PSCPARJHSA-N 2 2 395.507 2.268 20 0 GEADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164773864 721175655 /nfs/dbraw/zinc/17/56/55/721175655.db2.gz XMYCNOZKEVMICZ-PSCPARJHSA-N 2 2 395.507 2.268 20 0 GEADLP C[C@@H]1CCCN(c2cc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)nc[nH+]2)C1 ZINC001164770133 721222945 /nfs/dbraw/zinc/22/29/45/721222945.db2.gz NOIGAZAFZWNVFX-HOJAQTOUSA-N 2 2 395.555 2.405 20 0 GEADLP C[C@@H]1CCCN(c2cc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)nc[nH+]2)C1 ZINC001164770133 721222952 /nfs/dbraw/zinc/22/29/52/721222952.db2.gz NOIGAZAFZWNVFX-HOJAQTOUSA-N 2 2 395.555 2.405 20 0 GEADLP COCCn1ccc2c1nc[nH+]c2N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164788121 721413334 /nfs/dbraw/zinc/41/33/34/721413334.db2.gz QXFLUDMUDJMOCG-HUUCEWRRSA-N 2 2 384.509 2.102 20 0 GEADLP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4nc(NC5CC5)cc[nH+]4)CC[C@H]3C2)c1 ZINC001164976321 722098895 /nfs/dbraw/zinc/09/88/95/722098895.db2.gz COBVKBUECOULTJ-PKOBYXMFSA-N 2 2 380.496 2.173 20 0 GEADLP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4nc(NC5CC5)cc[nH+]4)CC[C@H]3C2)c1 ZINC001164976321 722098896 /nfs/dbraw/zinc/09/88/96/722098896.db2.gz COBVKBUECOULTJ-PKOBYXMFSA-N 2 2 380.496 2.173 20 0 GEADLP CCN(C)c1cc[nH+]c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164985165 722099019 /nfs/dbraw/zinc/09/90/19/722099019.db2.gz VDRQQTNRDGOIEK-RTBURBONSA-N 2 2 382.512 2.055 20 0 GEADLP CCN(C)c1cc[nH+]c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164985165 722099020 /nfs/dbraw/zinc/09/90/20/722099020.db2.gz VDRQQTNRDGOIEK-RTBURBONSA-N 2 2 382.512 2.055 20 0 GEADLP Cc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c2c([nH+]1)CCC2 ZINC001164982600 722135049 /nfs/dbraw/zinc/13/50/49/722135049.db2.gz RRUSWKLRVNEXDM-GHTZIAJQSA-N 2 2 379.508 2.396 20 0 GEADLP Cc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c2c([nH+]1)CCC2 ZINC001164982600 722135050 /nfs/dbraw/zinc/13/50/50/722135050.db2.gz RRUSWKLRVNEXDM-GHTZIAJQSA-N 2 2 379.508 2.396 20 0 GEADLP Cc1c[nH+]c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc1NC(C)C ZINC001165002066 722250313 /nfs/dbraw/zinc/25/03/13/722250313.db2.gz VIVXHYNASNFNDE-UHFFFAOYSA-N 2 2 387.532 2.290 20 0 GEADLP Cc1cnc(CC[N@@H+](C)CC(=O)N2CC[NH+](Cc3cccs3)CC2)s1 ZINC000157405464 531739733 /nfs/dbraw/zinc/73/97/33/531739733.db2.gz HSOXZRRINUDZQA-UHFFFAOYSA-N 2 2 378.567 2.332 20 0 GEADLP Cc1cnc(CC[N@H+](C)CC(=O)N2CC[NH+](Cc3cccs3)CC2)s1 ZINC000157405464 531739740 /nfs/dbraw/zinc/73/97/40/531739740.db2.gz HSOXZRRINUDZQA-UHFFFAOYSA-N 2 2 378.567 2.332 20 0 GEADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000162219116 531839714 /nfs/dbraw/zinc/83/97/14/531839714.db2.gz NGTOKNBLIZSICI-KRWDZBQOSA-N 2 2 398.345 2.455 20 0 GEADLP OCC[NH+]1CCN(CCCC[NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000168897904 531880670 /nfs/dbraw/zinc/88/06/70/531880670.db2.gz ITTIDVAEQMIHBV-LJQANCHMSA-N 2 2 396.373 2.416 20 0 GEADLP C[N@H+](CC(=O)Nc1cccc(I)c1)CC(C)(C)C[NH3+] ZINC000122420768 532070024 /nfs/dbraw/zinc/07/00/24/532070024.db2.gz QVFLICBYFQGWIY-UHFFFAOYSA-N 2 2 375.254 2.146 20 0 GEADLP C[N@@H+](CC(=O)Nc1cccc(I)c1)CC(C)(C)C[NH3+] ZINC000122420768 532070032 /nfs/dbraw/zinc/07/00/32/532070032.db2.gz QVFLICBYFQGWIY-UHFFFAOYSA-N 2 2 375.254 2.146 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)Nc1ccc(Br)cc1 ZINC000177379950 532169326 /nfs/dbraw/zinc/16/93/26/532169326.db2.gz VWLBQFYFNHJQTR-UHFFFAOYSA-N 2 2 397.361 2.345 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)Nc1ccc(Br)cc1 ZINC000177379950 532169329 /nfs/dbraw/zinc/16/93/29/532169329.db2.gz VWLBQFYFNHJQTR-UHFFFAOYSA-N 2 2 397.361 2.345 20 0 GEADLP CN(CC[N@H+](C)CC(=O)Nc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000177379950 532169332 /nfs/dbraw/zinc/16/93/32/532169332.db2.gz VWLBQFYFNHJQTR-UHFFFAOYSA-N 2 2 397.361 2.345 20 0 GEADLP CN(CC[N@@H+](C)CC(=O)Nc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000177379950 532169333 /nfs/dbraw/zinc/16/93/33/532169333.db2.gz VWLBQFYFNHJQTR-UHFFFAOYSA-N 2 2 397.361 2.345 20 0 GEADLP C[NH+]1CCN(c2ncc(C[NH2+]Cc3cc(Br)ccc3F)cn2)CC1 ZINC000133780824 532242445 /nfs/dbraw/zinc/24/24/45/532242445.db2.gz VUCOQZKWSCHWKE-UHFFFAOYSA-N 2 2 394.292 2.420 20 0 GEADLP C[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000184323993 532332078 /nfs/dbraw/zinc/33/20/78/532332078.db2.gz TZFLSHFYARRUOO-KRWDZBQOSA-N 2 2 386.323 2.405 20 0 GEADLP C[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000184323993 532332079 /nfs/dbraw/zinc/33/20/79/532332079.db2.gz TZFLSHFYARRUOO-KRWDZBQOSA-N 2 2 386.323 2.405 20 0 GEADLP Brc1ccc(CN(CCn2cc[nH+]c2)CC[N@@H+]2CCCOCC2)o1 ZINC000463205146 532368266 /nfs/dbraw/zinc/36/82/66/532368266.db2.gz UGLFEKCCNWCVNZ-UHFFFAOYSA-N 2 2 397.317 2.463 20 0 GEADLP Brc1ccc(CN(CCn2cc[nH+]c2)CC[N@H+]2CCCOCC2)o1 ZINC000463205146 532368274 /nfs/dbraw/zinc/36/82/74/532368274.db2.gz UGLFEKCCNWCVNZ-UHFFFAOYSA-N 2 2 397.317 2.463 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3ccc(Br)c(F)c3)C2)CC1 ZINC000372728539 532405116 /nfs/dbraw/zinc/40/51/16/532405116.db2.gz RDAGPMOULDQPPQ-AWEZNQCLSA-N 2 2 398.320 2.415 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3ccc(Br)c(F)c3)C2)CC1 ZINC000372728539 532405123 /nfs/dbraw/zinc/40/51/23/532405123.db2.gz RDAGPMOULDQPPQ-AWEZNQCLSA-N 2 2 398.320 2.415 20 0 GEADLP C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193656791 532429635 /nfs/dbraw/zinc/42/96/35/532429635.db2.gz OLGLZHWYILZMQN-RWMBFGLXSA-N 2 2 399.276 2.112 20 0 GEADLP C[C@@H](C(=O)Nc1cccc(I)c1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193656791 532429638 /nfs/dbraw/zinc/42/96/38/532429638.db2.gz OLGLZHWYILZMQN-RWMBFGLXSA-N 2 2 399.276 2.112 20 0 GEADLP C[C@@H](C(=O)Nc1cccc(I)c1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193656791 532429644 /nfs/dbraw/zinc/42/96/44/532429644.db2.gz OLGLZHWYILZMQN-RWMBFGLXSA-N 2 2 399.276 2.112 20 0 GEADLP C[C@@H](C(=O)Nc1cccc(I)c1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193656791 532429650 /nfs/dbraw/zinc/42/96/50/532429650.db2.gz OLGLZHWYILZMQN-RWMBFGLXSA-N 2 2 399.276 2.112 20 0 GEADLP C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428029741 532440637 /nfs/dbraw/zinc/44/06/37/532440637.db2.gz BDTRBVQYUDGCDS-LALPHHSUSA-N 2 2 399.276 2.302 20 0 GEADLP C[C@H](C(=O)Nc1cccc(I)c1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428029741 532440647 /nfs/dbraw/zinc/44/06/47/532440647.db2.gz BDTRBVQYUDGCDS-LALPHHSUSA-N 2 2 399.276 2.302 20 0 GEADLP CCO[C@@H]1C[N@@H+](Cc2cc(Br)c3c(c2)OCCCO3)C[C@H]1C[NH3+] ZINC000650714803 532452623 /nfs/dbraw/zinc/45/26/23/532452623.db2.gz CVXKCHUVAOWUBE-CZUORRHYSA-N 2 2 385.302 2.406 20 0 GEADLP CCO[C@@H]1C[N@H+](Cc2cc(Br)c3c(c2)OCCCO3)C[C@H]1C[NH3+] ZINC000650714803 532452619 /nfs/dbraw/zinc/45/26/19/532452619.db2.gz CVXKCHUVAOWUBE-CZUORRHYSA-N 2 2 385.302 2.406 20 0 GEADLP C[N@H+]1CCN(C(=O)CCc2nc3cc(Br)ccc3s2)[C@H](C[NH3+])C1 ZINC000520404214 532492259 /nfs/dbraw/zinc/49/22/59/532492259.db2.gz VRXGCQASNOORHK-GFCCVEGCSA-N 2 2 397.342 2.093 20 0 GEADLP CN(C(=O)c1ncsc1C(F)(F)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000684280303 532476203 /nfs/dbraw/zinc/47/62/03/532476203.db2.gz HWVZDDQVXAHHOC-LBPRGKRZSA-N 2 2 376.448 2.402 20 0 GEADLP CN(C(=O)c1ncsc1C(F)(F)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000684280303 532476209 /nfs/dbraw/zinc/47/62/09/532476209.db2.gz HWVZDDQVXAHHOC-LBPRGKRZSA-N 2 2 376.448 2.402 20 0 GEADLP O=S(=O)(CC[NH2+]CCCCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000520797489 532498618 /nfs/dbraw/zinc/49/86/18/532498618.db2.gz GRQLTKNDKLKLKY-UHFFFAOYSA-N 2 2 386.315 2.489 20 0 GEADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(Br)cc1OC ZINC000563353332 532500273 /nfs/dbraw/zinc/50/02/73/532500273.db2.gz NZVRXWLBEFUUIP-GXTWGEPZSA-N 2 2 375.307 2.047 20 0 GEADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(Br)cc1OC ZINC000563353332 532500275 /nfs/dbraw/zinc/50/02/75/532500275.db2.gz NZVRXWLBEFUUIP-GXTWGEPZSA-N 2 2 375.307 2.047 20 0 GEADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000430639556 532501474 /nfs/dbraw/zinc/50/14/74/532501474.db2.gz POBWVUNZAPUIJD-HNNXBMFYSA-N 2 2 398.345 2.218 20 0 GEADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000430639556 532501482 /nfs/dbraw/zinc/50/14/82/532501482.db2.gz POBWVUNZAPUIJD-HNNXBMFYSA-N 2 2 398.345 2.218 20 0 GEADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccc(Br)c(F)c2)CC1 ZINC000375000695 532527029 /nfs/dbraw/zinc/52/70/29/532527029.db2.gz YAIQYUFJIIGWIX-UHFFFAOYSA-N 2 2 387.293 2.247 20 0 GEADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCc2cc(Br)ccc2F)C[C@@H](C)O1 ZINC000564846195 532533704 /nfs/dbraw/zinc/53/37/04/532533704.db2.gz IJCGSLROQXFPNT-IOASZLSFSA-N 2 2 389.309 2.190 20 0 GEADLP C[C@@H]1C[C@@H](O)C[NH+]1Cc1cc(Br)ccc1C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000433240985 532558985 /nfs/dbraw/zinc/55/89/85/532558985.db2.gz AMLUIELGWWLLQB-COCCGSRQSA-N 2 2 383.330 2.359 20 0 GEADLP C[C@@H]1C[C@@H](O)C[NH+]1Cc1cc(Br)ccc1C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000433240985 532558998 /nfs/dbraw/zinc/55/89/98/532558998.db2.gz AMLUIELGWWLLQB-COCCGSRQSA-N 2 2 383.330 2.359 20 0 GEADLP C[C@@H]1C[C@H](O)C[NH+]1Cc1ccc(Br)cc1C[N@@H+]1C[C@H](O)C[C@H]1C ZINC000433240985 532559004 /nfs/dbraw/zinc/55/90/04/532559004.db2.gz AMLUIELGWWLLQB-COCCGSRQSA-N 2 2 383.330 2.359 20 0 GEADLP C[C@@H]1C[C@H](O)C[NH+]1Cc1ccc(Br)cc1C[N@H+]1C[C@H](O)C[C@H]1C ZINC000433240985 532559010 /nfs/dbraw/zinc/55/90/10/532559010.db2.gz AMLUIELGWWLLQB-COCCGSRQSA-N 2 2 383.330 2.359 20 0 GEADLP CN([C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cscn1 ZINC000565360768 532559014 /nfs/dbraw/zinc/55/90/14/532559014.db2.gz UYYOTLRYCQOFDM-CVEARBPZSA-N 2 2 386.587 2.101 20 0 GEADLP CN([C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cscn1 ZINC000565360768 532559019 /nfs/dbraw/zinc/55/90/19/532559019.db2.gz UYYOTLRYCQOFDM-CVEARBPZSA-N 2 2 386.587 2.101 20 0 GEADLP O=C(NC[C@H]1CCC[N@@H+](Cc2ncc(Br)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000631822476 532564318 /nfs/dbraw/zinc/56/43/18/532564318.db2.gz FJVKHIDKJBYMPN-DOMZBBRYSA-N 2 2 399.308 2.063 20 0 GEADLP O=C(NC[C@H]1CCC[N@H+](Cc2ncc(Br)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000631822476 532564324 /nfs/dbraw/zinc/56/43/24/532564324.db2.gz FJVKHIDKJBYMPN-DOMZBBRYSA-N 2 2 399.308 2.063 20 0 GEADLP C[C@H](O)C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)CC1 ZINC000375278396 532545943 /nfs/dbraw/zinc/54/59/43/532545943.db2.gz GBGPYGZXMDIRAJ-AWEZNQCLSA-N 2 2 385.961 2.139 20 0 GEADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000472759483 532581836 /nfs/dbraw/zinc/58/18/36/532581836.db2.gz ZPKOWFOTYCVQSW-AWEZNQCLSA-N 2 2 385.496 2.149 20 0 GEADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000472759483 532581844 /nfs/dbraw/zinc/58/18/44/532581844.db2.gz ZPKOWFOTYCVQSW-AWEZNQCLSA-N 2 2 385.496 2.149 20 0 GEADLP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc(I)c1OC ZINC000435390720 532614914 /nfs/dbraw/zinc/61/49/14/532614914.db2.gz QAVFUOIVBRHKEB-SNVBAGLBSA-N 2 2 376.238 2.089 20 0 GEADLP COc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)cc(I)c1OC ZINC000435390720 532614919 /nfs/dbraw/zinc/61/49/19/532614919.db2.gz QAVFUOIVBRHKEB-SNVBAGLBSA-N 2 2 376.238 2.089 20 0 GEADLP COc1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc(I)c1OC ZINC000435373706 532615253 /nfs/dbraw/zinc/61/52/53/532615253.db2.gz ODLSEAYCVKJGMZ-PWSUYJOCSA-N 2 2 390.265 2.478 20 0 GEADLP COc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc(I)c1OC ZINC000435373706 532615260 /nfs/dbraw/zinc/61/52/60/532615260.db2.gz ODLSEAYCVKJGMZ-PWSUYJOCSA-N 2 2 390.265 2.478 20 0 GEADLP Cn1c[nH+]cc1CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000530460296 532621219 /nfs/dbraw/zinc/62/12/19/532621219.db2.gz IOANLPOZVQPLIL-AWEZNQCLSA-N 2 2 384.299 2.233 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H](C)C[C@H](C)[NH3+])[nH+]c12 ZINC000566193724 532600741 /nfs/dbraw/zinc/60/07/41/532600741.db2.gz YEHRIRYDAONPKC-RYUDHWBXSA-N 2 2 382.306 2.373 20 0 GEADLP COc1cc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cc(Br)c1OC(F)F ZINC000567110720 532641182 /nfs/dbraw/zinc/64/11/82/532641182.db2.gz ULOJLECSIPSFGL-NSHDSACASA-N 2 2 394.260 2.134 20 0 GEADLP COc1cc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cc(Br)c1OC(F)F ZINC000567110720 532641184 /nfs/dbraw/zinc/64/11/84/532641184.db2.gz ULOJLECSIPSFGL-NSHDSACASA-N 2 2 394.260 2.134 20 0 GEADLP Cc1nn(C)c(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1Br ZINC000377693395 532667309 /nfs/dbraw/zinc/66/73/09/532667309.db2.gz KOCLZGAWQXCTAH-XYPWUTKMSA-N 2 2 396.377 2.234 20 0 GEADLP Cc1nn(C)c(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1Br ZINC000377693395 532667314 /nfs/dbraw/zinc/66/73/14/532667314.db2.gz KOCLZGAWQXCTAH-XYPWUTKMSA-N 2 2 396.377 2.234 20 0 GEADLP C[N@@H+]1CC[C@H]2CCN(C(=O)NCc3cn4cc(Br)ccc4[nH+]3)[C@H]2C1 ZINC000497388898 532723422 /nfs/dbraw/zinc/72/34/22/532723422.db2.gz OCXHLHPJTRWXLO-WFASDCNBSA-N 2 2 392.301 2.332 20 0 GEADLP C[N@H+]1CC[C@H]2CCN(C(=O)NCc3cn4cc(Br)ccc4[nH+]3)[C@H]2C1 ZINC000497388898 532723427 /nfs/dbraw/zinc/72/34/27/532723427.db2.gz OCXHLHPJTRWXLO-WFASDCNBSA-N 2 2 392.301 2.332 20 0 GEADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000675782731 532740637 /nfs/dbraw/zinc/74/06/37/532740637.db2.gz XTSJUQRFGQEESY-OAHLLOKOSA-N 2 2 382.302 2.026 20 0 GEADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCSc3ccc(Br)cc32)CC1 ZINC000675782063 532740902 /nfs/dbraw/zinc/74/09/02/532740902.db2.gz MDCMKSYZXXAEJH-AWEZNQCLSA-N 2 2 384.343 2.350 20 0 GEADLP Cc1[nH+]c2ccc(Br)cc2c(N2CC[NH+](CC(N)=O)CC2)c1C ZINC000301350010 532749220 /nfs/dbraw/zinc/74/92/20/532749220.db2.gz JNMPAZGPNDOSGD-UHFFFAOYSA-N 2 2 377.286 2.221 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)C[N@@H+](C)[C@@H]3CCSC3)[nH+]c12 ZINC000546819776 532786113 /nfs/dbraw/zinc/78/61/13/532786113.db2.gz AJMMOSGWHKTYAJ-CQSZACIVSA-N 2 2 397.342 2.459 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)C[N@H+](C)[C@@H]3CCSC3)[nH+]c12 ZINC000546819776 532786119 /nfs/dbraw/zinc/78/61/19/532786119.db2.gz AJMMOSGWHKTYAJ-CQSZACIVSA-N 2 2 397.342 2.459 20 0 GEADLP O=C1N[C@@H]2C[N@H+](Cc3ccc(Br)cc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415132551 532838706 /nfs/dbraw/zinc/83/87/06/532838706.db2.gz BAQLYLANKJYTGU-SJORKVTESA-N 2 2 393.329 2.169 20 0 GEADLP O=C1N[C@@H]2C[N@@H+](Cc3ccc(Br)cc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415132551 532838720 /nfs/dbraw/zinc/83/87/20/532838720.db2.gz BAQLYLANKJYTGU-SJORKVTESA-N 2 2 393.329 2.169 20 0 GEADLP COc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c(Br)c1O ZINC000415134294 532838875 /nfs/dbraw/zinc/83/88/75/532838875.db2.gz VXGJUHFNVACHKZ-CYBMUJFWSA-N 2 2 396.289 2.051 20 0 GEADLP COc1ccc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c(Br)c1O ZINC000415134294 532838877 /nfs/dbraw/zinc/83/88/77/532838877.db2.gz VXGJUHFNVACHKZ-CYBMUJFWSA-N 2 2 396.289 2.051 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[NH2+][C@H](C)[C@H]3C)[nH+]c12 ZINC000332281525 532851530 /nfs/dbraw/zinc/85/15/30/532851530.db2.gz IAVGDWJHZQOJHA-VXGBXAGGSA-N 2 2 380.290 2.297 20 0 GEADLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1nc2ccccn2c1Br ZINC000289556984 532858823 /nfs/dbraw/zinc/85/88/23/532858823.db2.gz GOLHDHFAMTYCNT-CQSZACIVSA-N 2 2 380.334 2.212 20 0 GEADLP Cn1cc[nH+]c1N1CC[NH+](Cc2nc3ccc(Br)cc3n2C)CC1 ZINC000275009176 532861415 /nfs/dbraw/zinc/86/14/15/532861415.db2.gz PRLANFFDEGIRFV-UHFFFAOYSA-N 2 2 389.301 2.392 20 0 GEADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cccc(Br)c3)CC2)CC1 ZINC000289956254 532868993 /nfs/dbraw/zinc/86/89/93/532868993.db2.gz YEBPSZILKCSNKD-UHFFFAOYSA-N 2 2 380.330 2.435 20 0 GEADLP C[C@@H](C[NH3+])CNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000418466519 532881304 /nfs/dbraw/zinc/88/13/04/532881304.db2.gz HKNYYOVFDLAVHN-LBPRGKRZSA-N 2 2 384.278 2.045 20 0 GEADLP CN(C(=O)c1cccc(Br)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367726607 532926783 /nfs/dbraw/zinc/92/67/83/532926783.db2.gz SVQOKLOJIJFDML-AWEZNQCLSA-N 2 2 381.318 2.085 20 0 GEADLP CN(C(=O)c1cccc(Br)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367726607 532926785 /nfs/dbraw/zinc/92/67/85/532926785.db2.gz SVQOKLOJIJFDML-AWEZNQCLSA-N 2 2 381.318 2.085 20 0 GEADLP O=S1(=O)CC[C@H]([NH2+]C2CC[NH+]([C@H]3CSCCc4ccccc43)CC2)C1 ZINC000368040806 532929879 /nfs/dbraw/zinc/92/98/79/532929879.db2.gz SYJRYBOUCANZMJ-HKUYNNGSSA-N 2 2 380.579 2.258 20 0 GEADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2cc(F)ccc2Br)CC1 ZINC000369276784 532937674 /nfs/dbraw/zinc/93/76/74/532937674.db2.gz CALNKIQFBIWKGF-UHFFFAOYSA-N 2 2 387.293 2.247 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(Br)ccc3F)C2)CC1 ZINC000369279765 532937883 /nfs/dbraw/zinc/93/78/83/532937883.db2.gz ZBQPFSDGYARNTB-ZDUSSCGKSA-N 2 2 384.293 2.487 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc(Br)ccc3F)C2)CC1 ZINC000369279765 532937884 /nfs/dbraw/zinc/93/78/84/532937884.db2.gz ZBQPFSDGYARNTB-ZDUSSCGKSA-N 2 2 384.293 2.487 20 0 GEADLP CN(C(=O)c1ccncc1Br)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370573974 532944366 /nfs/dbraw/zinc/94/43/66/532944366.db2.gz NQQACYYEHWLQDP-CQSZACIVSA-N 2 2 381.318 2.085 20 0 GEADLP CN(C(=O)c1ccncc1Br)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370573974 532944367 /nfs/dbraw/zinc/94/43/67/532944367.db2.gz NQQACYYEHWLQDP-CQSZACIVSA-N 2 2 381.318 2.085 20 0 GEADLP C[C@@H]1CN(C(=O)c2cc(Br)ccc2O)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000371458832 532948161 /nfs/dbraw/zinc/94/81/61/532948161.db2.gz MLJIFOCZBCCCBJ-CYBMUJFWSA-N 2 2 396.329 2.395 20 0 GEADLP C[C@@H]1CN(C(=O)c2cc(Br)ccc2O)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000371458832 532948162 /nfs/dbraw/zinc/94/81/62/532948162.db2.gz MLJIFOCZBCCCBJ-CYBMUJFWSA-N 2 2 396.329 2.395 20 0 GEADLP COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000737031316 598986095 /nfs/dbraw/zinc/98/60/95/598986095.db2.gz FNGNMKMMVMIYDJ-MRXNPFEDSA-N 2 2 383.456 2.096 20 0 GEADLP COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000737031316 598986096 /nfs/dbraw/zinc/98/60/96/598986096.db2.gz FNGNMKMMVMIYDJ-MRXNPFEDSA-N 2 2 383.456 2.096 20 0 GEADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000735857273 599090928 /nfs/dbraw/zinc/09/09/28/599090928.db2.gz RKJULBLWSJUSBS-LJQANCHMSA-N 2 2 393.495 2.023 20 0 GEADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000735857273 599090930 /nfs/dbraw/zinc/09/09/30/599090930.db2.gz RKJULBLWSJUSBS-LJQANCHMSA-N 2 2 393.495 2.023 20 0 GEADLP Cc1cc(N2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)nc(C(C)C)[nH+]1 ZINC000737271512 599094532 /nfs/dbraw/zinc/09/45/32/599094532.db2.gz LKFSFOJLHLUSJI-UHFFFAOYSA-N 2 2 378.484 2.411 20 0 GEADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NC[C@@H](C(C)C)[NH+]3CCOCC3)c2c1 ZINC000737248475 599264315 /nfs/dbraw/zinc/26/43/15/599264315.db2.gz FZNRNCPNHILWJA-SFHVURJKSA-N 2 2 395.511 2.222 20 0 GEADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000736705067 598367569 /nfs/dbraw/zinc/36/75/69/598367569.db2.gz FAOZTOBYPWDLSQ-HNNXBMFYSA-N 2 2 394.483 2.291 20 0 GEADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000736705067 598367570 /nfs/dbraw/zinc/36/75/70/598367570.db2.gz FAOZTOBYPWDLSQ-HNNXBMFYSA-N 2 2 394.483 2.291 20 0 GEADLP C[C@H]1C[C@H](Nc2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)CC[N@@H+]1C ZINC000820666270 599590186 /nfs/dbraw/zinc/59/01/86/599590186.db2.gz HLTFPNSVJUMTSU-WDEREUQCSA-N 2 2 389.410 2.333 20 0 GEADLP C[C@H]1C[C@H](Nc2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)CC[N@H+]1C ZINC000820666270 599590188 /nfs/dbraw/zinc/59/01/88/599590188.db2.gz HLTFPNSVJUMTSU-WDEREUQCSA-N 2 2 389.410 2.333 20 0 GEADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000823791652 599689524 /nfs/dbraw/zinc/68/95/24/599689524.db2.gz HAWNKDSPUZEEAY-UHFFFAOYSA-N 2 2 393.495 2.496 20 0 GEADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc(-c4nn[nH]n4)cc3F)[nH+]c2)C1 ZINC000821583148 607496621 /nfs/dbraw/zinc/49/66/21/607496621.db2.gz KHIYKQLGICSQCW-INIZCTEOSA-N 2 2 382.447 2.153 20 0 GEADLP CC[NH+](CC)CCO[C@H]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000821189359 606140682 /nfs/dbraw/zinc/14/06/82/606140682.db2.gz KTUBUFKXYICOCT-HNNXBMFYSA-N 2 2 381.484 2.352 20 0 GEADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)c2c1 ZINC000822195070 606227494 /nfs/dbraw/zinc/22/74/94/606227494.db2.gz GBJXMCGOBXXIOR-YJBOKZPZSA-N 2 2 393.495 2.189 20 0 GEADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)c2)CCO1 ZINC000820758839 606412490 /nfs/dbraw/zinc/41/24/90/606412490.db2.gz DORLZCQFUHZTRA-CQSZACIVSA-N 2 2 384.509 2.439 20 0 GEADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)c2)CCO1 ZINC000820758839 606412492 /nfs/dbraw/zinc/41/24/92/606412492.db2.gz DORLZCQFUHZTRA-CQSZACIVSA-N 2 2 384.509 2.439 20 0 GEADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000822477255 606617126 /nfs/dbraw/zinc/61/71/26/606617126.db2.gz KNJUQJAVAWZSNQ-INIZCTEOSA-N 2 2 391.439 2.086 20 0 GEADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000822477255 606617127 /nfs/dbraw/zinc/61/71/27/606617127.db2.gz KNJUQJAVAWZSNQ-INIZCTEOSA-N 2 2 391.439 2.086 20 0 GEADLP Cc1cc(N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)nc(C2CC2)[nH+]1 ZINC000822205833 607114747 /nfs/dbraw/zinc/11/47/47/607114747.db2.gz JUMAQXAZQVHJRB-UHFFFAOYSA-N 2 2 378.484 2.411 20 0 GEADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000826513612 609367549 /nfs/dbraw/zinc/36/75/49/609367549.db2.gz QHEVUSBMTBNAKA-ZCNNSNEGSA-N 2 2 394.523 2.378 20 0 GEADLP COc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(Br)c1 ZINC000512046565 650544640 /nfs/dbraw/zinc/54/46/40/650544640.db2.gz UMJVEKZNLSZFOJ-AWEZNQCLSA-N 2 2 384.318 2.135 20 0 GEADLP COc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c(Br)c1 ZINC000512046565 650544643 /nfs/dbraw/zinc/54/46/43/650544643.db2.gz UMJVEKZNLSZFOJ-AWEZNQCLSA-N 2 2 384.318 2.135 20 0 GEADLP CS[C@@H]1CN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)C[C@H]1[NH+](C)C ZINC000534825453 650781028 /nfs/dbraw/zinc/78/10/28/650781028.db2.gz FOKLIMXJUFPLNO-HZPDHXFCSA-N 2 2 378.567 2.380 20 0 GEADLP C[NH2+]CC1CC[NH+](CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000063165965 642853349 /nfs/dbraw/zinc/85/33/49/642853349.db2.gz MQCFMYGNBJYNAK-UHFFFAOYSA-N 2 2 375.332 2.154 20 0 GEADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000070174320 643049662 /nfs/dbraw/zinc/04/96/62/643049662.db2.gz SWAOQSBAJVLMFY-VXGBXAGGSA-N 2 2 387.265 2.289 20 0 GEADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000070174320 643049668 /nfs/dbraw/zinc/04/96/68/643049668.db2.gz SWAOQSBAJVLMFY-VXGBXAGGSA-N 2 2 387.265 2.289 20 0 GEADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc4c(cc3Br)OCO4)C2)CC1 ZINC000107370199 643255393 /nfs/dbraw/zinc/25/53/93/643255393.db2.gz NKDJQAKPPOKNTD-HNNXBMFYSA-N 2 2 396.329 2.390 20 0 GEADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc4c(cc3Br)OCO4)C2)CC1 ZINC000107370199 643255399 /nfs/dbraw/zinc/25/53/99/643255399.db2.gz NKDJQAKPPOKNTD-HNNXBMFYSA-N 2 2 396.329 2.390 20 0 GEADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000128564064 643804598 /nfs/dbraw/zinc/80/45/98/643804598.db2.gz OROYJOSAWHURPM-HNNXBMFYSA-N 2 2 391.269 2.300 20 0 GEADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000128564064 643804603 /nfs/dbraw/zinc/80/46/03/643804603.db2.gz OROYJOSAWHURPM-HNNXBMFYSA-N 2 2 391.269 2.300 20 0 GEADLP O=S1(=O)CC[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2cc(Br)ccc21 ZINC000547655522 651041087 /nfs/dbraw/zinc/04/10/87/651041087.db2.gz PSXQCRPALGMHCD-TZMCWYRMSA-N 2 2 396.310 2.469 20 0 GEADLP CC(C)[C@@H](C[NH2+]Cc1nc2ccccn2c1Br)N1CC[NH+](C)CC1 ZINC000289282973 646928725 /nfs/dbraw/zinc/92/87/25/646928725.db2.gz OURKHNSVCLBIAQ-MRXNPFEDSA-N 2 2 394.361 2.458 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3C[NH2+]CC[C@H]3C)[nH+]c12 ZINC000418015869 648270013 /nfs/dbraw/zinc/27/00/13/648270013.db2.gz FFDUXZIBVKSWSJ-ABAIWWIYSA-N 2 2 394.317 2.245 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)[nH+]c12 ZINC000418017932 648270465 /nfs/dbraw/zinc/27/04/65/648270465.db2.gz HYHKZFUHYBDOJF-SWLSCSKDSA-N 2 2 394.317 2.245 20 0 GEADLP C[NH2+][C@H]1CCCN(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000418017871 648270533 /nfs/dbraw/zinc/27/05/33/648270533.db2.gz HUZSORMXVCQQPD-AWEZNQCLSA-N 2 2 394.317 2.341 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3CC[NH2+]C(C)(C)C3)[nH+]c12 ZINC000418018992 648270841 /nfs/dbraw/zinc/27/08/41/648270841.db2.gz JXQGRZUEYZCWQJ-UHFFFAOYSA-N 2 2 394.317 2.341 20 0 GEADLP C[NH2+]C[C@H]1CCCN1C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000418019888 648271338 /nfs/dbraw/zinc/27/13/38/648271338.db2.gz LZWOWTLZCBBEMQ-OAHLLOKOSA-N 2 2 394.317 2.341 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3CCCC[C@@H]3C[NH3+])[nH+]c12 ZINC000418026082 648271678 /nfs/dbraw/zinc/27/16/78/648271678.db2.gz VSABRGJYYROGEP-OAHLLOKOSA-N 2 2 394.317 2.471 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)[nH+]c12 ZINC000418025313 648271747 /nfs/dbraw/zinc/27/17/47/648271747.db2.gz UXZKJQYJPNMURC-QWHCGFSZSA-N 2 2 394.317 2.326 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H](C)CCC[NH3+])[nH+]c12 ZINC000418029843 648272198 /nfs/dbraw/zinc/27/21/98/648272198.db2.gz ZWRAHIVKGGYPTM-LBPRGKRZSA-N 2 2 382.306 2.374 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@H]([NH3+])[C@H](C)C3)[nH+]c12 ZINC000418026590 648272345 /nfs/dbraw/zinc/27/23/45/648272345.db2.gz WFSAQQJXOULTJU-DOMZBBRYSA-N 2 2 394.317 2.326 20 0 GEADLP C[NH2+]C[C@H](C)CNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000418389561 648296063 /nfs/dbraw/zinc/29/60/63/648296063.db2.gz OFCCZIBCBBJQII-ZDUSSCGKSA-N 2 2 398.305 2.306 20 0 GEADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000418720500 648308417 /nfs/dbraw/zinc/30/84/17/648308417.db2.gz JXLSTXSBVQKCDE-VXGBXAGGSA-N 2 2 384.278 2.186 20 0 GEADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000420382274 648415024 /nfs/dbraw/zinc/41/50/24/648415024.db2.gz ZSVVLPDPJVSWJH-ZDUSSCGKSA-N 2 2 387.265 2.207 20 0 GEADLP O=S(=O)(C[C@@H](O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccs1 ZINC000560910899 651472099 /nfs/dbraw/zinc/47/20/99/651472099.db2.gz PYWFGSCPWPVLFL-KRWDZBQOSA-N 2 2 386.583 2.269 20 0 GEADLP O=c1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)nc2ccc(Br)cn12 ZINC000563672149 651536452 /nfs/dbraw/zinc/53/64/52/651536452.db2.gz FFSIQCIESBSFJM-KRWDZBQOSA-N 2 2 377.286 2.033 20 0 GEADLP O=c1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)nc2ccc(Br)cn12 ZINC000563672149 651536454 /nfs/dbraw/zinc/53/64/54/651536454.db2.gz FFSIQCIESBSFJM-KRWDZBQOSA-N 2 2 377.286 2.033 20 0 GEADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000647492629 651748534 /nfs/dbraw/zinc/74/85/34/651748534.db2.gz OMZCINXBFHFSNY-UHFFFAOYSA-N 2 2 378.318 2.176 20 0 GEADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000647492629 651748539 /nfs/dbraw/zinc/74/85/39/651748539.db2.gz OMZCINXBFHFSNY-UHFFFAOYSA-N 2 2 378.318 2.176 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000617768287 651971573 /nfs/dbraw/zinc/97/15/73/651971573.db2.gz XOPSHOSWHLXCPG-UHFFFAOYSA-N 2 2 382.346 2.480 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000617768287 651971579 /nfs/dbraw/zinc/97/15/79/651971579.db2.gz XOPSHOSWHLXCPG-UHFFFAOYSA-N 2 2 382.346 2.480 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000617765788 651971816 /nfs/dbraw/zinc/97/18/16/651971816.db2.gz PWGAKSJWOVQOMX-UHFFFAOYSA-N 2 2 395.345 2.473 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000617765788 651971819 /nfs/dbraw/zinc/97/18/19/651971819.db2.gz PWGAKSJWOVQOMX-UHFFFAOYSA-N 2 2 395.345 2.473 20 0 GEADLP Cn1ncc(Br)c1C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000573896892 651986456 /nfs/dbraw/zinc/98/64/56/651986456.db2.gz XOTSIWRBGYVCPK-KRWDZBQOSA-N 2 2 392.345 2.261 20 0 GEADLP Cc1c(Br)cncc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000657341316 652161808 /nfs/dbraw/zinc/16/18/08/652161808.db2.gz URYDIKGMGFRGDW-INIZCTEOSA-N 2 2 383.334 2.185 20 0 GEADLP Cc1c(Br)cncc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000657341316 652161812 /nfs/dbraw/zinc/16/18/12/652161812.db2.gz URYDIKGMGFRGDW-INIZCTEOSA-N 2 2 383.334 2.185 20 0 GEADLP CC(C)C[C@H]([NH2+]Cc1ncc(Br)cc1F)C(=O)NCC[NH+](C)C ZINC000623475335 652240108 /nfs/dbraw/zinc/24/01/08/652240108.db2.gz KVAGESURQNQPKD-AWEZNQCLSA-N 2 2 389.313 2.165 20 0 GEADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000658333760 652254677 /nfs/dbraw/zinc/25/46/77/652254677.db2.gz SVQQXANGKSNZJM-LBPRGKRZSA-N 2 2 389.327 2.320 20 0 GEADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000658333760 652254681 /nfs/dbraw/zinc/25/46/81/652254681.db2.gz SVQQXANGKSNZJM-LBPRGKRZSA-N 2 2 389.327 2.320 20 0 GEADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000578244747 652255747 /nfs/dbraw/zinc/25/57/47/652255747.db2.gz IFILUNCKNJXPCN-CHWSQXEVSA-N 2 2 381.464 2.280 20 0 GEADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000578244747 652255767 /nfs/dbraw/zinc/25/57/67/652255767.db2.gz IFILUNCKNJXPCN-CHWSQXEVSA-N 2 2 381.464 2.280 20 0 GEADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000578244747 652255773 /nfs/dbraw/zinc/25/57/73/652255773.db2.gz IFILUNCKNJXPCN-CHWSQXEVSA-N 2 2 381.464 2.280 20 0 GEADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000578244747 652255777 /nfs/dbraw/zinc/25/57/77/652255777.db2.gz IFILUNCKNJXPCN-CHWSQXEVSA-N 2 2 381.464 2.280 20 0 GEADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2scnc2Br)CC1 ZINC000754166209 652428795 /nfs/dbraw/zinc/42/87/95/652428795.db2.gz GZFORZNAGLSKTB-UHFFFAOYSA-N 2 2 382.287 2.305 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000628062492 652448088 /nfs/dbraw/zinc/44/80/88/652448088.db2.gz HYFZUWFJQIGMGR-BPQIPLTHSA-N 2 2 394.357 2.335 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000628062492 652448092 /nfs/dbraw/zinc/44/80/92/652448092.db2.gz HYFZUWFJQIGMGR-BPQIPLTHSA-N 2 2 394.357 2.335 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(Br)c(F)c1F ZINC000628062873 652448164 /nfs/dbraw/zinc/44/81/64/652448164.db2.gz RWPCAABVZPJWGV-UHFFFAOYSA-N 2 2 378.261 2.341 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(Br)c(F)c1F ZINC000628062873 652448171 /nfs/dbraw/zinc/44/81/71/652448171.db2.gz RWPCAABVZPJWGV-UHFFFAOYSA-N 2 2 378.261 2.341 20 0 GEADLP C[NH+]1CCN(c2ncc(Br)cc2NCc2c[nH+]c3n2CCC3)CC1 ZINC000663258621 652487362 /nfs/dbraw/zinc/48/73/62/652487362.db2.gz MEDOLHWQSLNTLT-UHFFFAOYSA-N 2 2 391.317 2.351 20 0 GEADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+]([C@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000629593205 652494531 /nfs/dbraw/zinc/49/45/31/652494531.db2.gz IIRMEXHDKUFCMM-RYQLBKOJSA-N 2 2 378.314 2.486 20 0 GEADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+]([C@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000629593205 652494536 /nfs/dbraw/zinc/49/45/36/652494536.db2.gz IIRMEXHDKUFCMM-RYQLBKOJSA-N 2 2 378.314 2.486 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=S)NCCC[NH+](C)C)[nH+]c12 ZINC000757941482 652526247 /nfs/dbraw/zinc/52/62/47/652526247.db2.gz UYXIPZOJPATKHM-UHFFFAOYSA-N 2 2 398.374 2.364 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000664798985 652539459 /nfs/dbraw/zinc/53/94/59/652539459.db2.gz NVCBOIMRBHBOLD-DOTOQJQBSA-N 2 2 397.361 2.488 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000664798985 652539464 /nfs/dbraw/zinc/53/94/64/652539464.db2.gz NVCBOIMRBHBOLD-DOTOQJQBSA-N 2 2 397.361 2.488 20 0 GEADLP C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)CC(=O)N1CC[NH+](C)CC1 ZINC000640059652 653094761 /nfs/dbraw/zinc/09/47/61/653094761.db2.gz VCIOMMDDZIBRDQ-UHFFFAOYSA-N 2 2 387.311 2.028 20 0 GEADLP C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)CC(=O)N1CC[NH+](C)CC1 ZINC000640059652 653094765 /nfs/dbraw/zinc/09/47/65/653094765.db2.gz VCIOMMDDZIBRDQ-UHFFFAOYSA-N 2 2 387.311 2.028 20 0 GEADLP Cc1cc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)ncc1Br ZINC000641788725 653233884 /nfs/dbraw/zinc/23/38/84/653233884.db2.gz ZVOPFSOSSPQVIO-INIZCTEOSA-N 2 2 397.361 2.039 20 0 GEADLP Brc1cccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000641789578 653234346 /nfs/dbraw/zinc/23/43/46/653234346.db2.gz LKXQWKQDWNMMCR-SFHVURJKSA-N 2 2 382.346 2.335 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1csc(Br)n1 ZINC000874469051 653321928 /nfs/dbraw/zinc/32/19/28/653321928.db2.gz ZJMSNSABXRLLQV-UHFFFAOYSA-N 2 2 375.336 2.004 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1csc(Br)n1 ZINC000874469051 653321935 /nfs/dbraw/zinc/32/19/35/653321935.db2.gz ZJMSNSABXRLLQV-UHFFFAOYSA-N 2 2 375.336 2.004 20 0 GEADLP Cn1cc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c(Br)n1 ZINC000712479500 653323745 /nfs/dbraw/zinc/32/37/45/653323745.db2.gz KHPMZZGIOPDUHV-UHFFFAOYSA-N 2 2 392.345 2.090 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(Br)cnc1F ZINC000859358731 653449999 /nfs/dbraw/zinc/44/99/99/653449999.db2.gz KKOZXFZEUHHLCB-UHFFFAOYSA-N 2 2 387.297 2.081 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(Br)cnc1F ZINC000859358731 653450004 /nfs/dbraw/zinc/45/00/04/653450004.db2.gz KKOZXFZEUHHLCB-UHFFFAOYSA-N 2 2 387.297 2.081 20 0 GEADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](c3cccc(Br)c3)C2)CC1 ZINC000878675276 653644222 /nfs/dbraw/zinc/64/42/22/653644222.db2.gz NJFLYMPLQDUDOP-HNNXBMFYSA-N 2 2 380.330 2.449 20 0 GEADLP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](c3cccc(Br)c3)C2)CC1 ZINC000878675276 653644223 /nfs/dbraw/zinc/64/42/23/653644223.db2.gz NJFLYMPLQDUDOP-HNNXBMFYSA-N 2 2 380.330 2.449 20 0 GEADLP C[NH+]1CCN(c2cc(C[NH2+]Cc3cccnc3Br)ccn2)CC1 ZINC000865414535 653764650 /nfs/dbraw/zinc/76/46/50/653764650.db2.gz AGIYTJFPSRLPNY-UHFFFAOYSA-N 2 2 376.302 2.281 20 0 GEADLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)nc1 ZINC000883371558 653837559 /nfs/dbraw/zinc/83/75/59/653837559.db2.gz PHAFDKDIGPGCQH-DOTOQJQBSA-N 2 2 397.361 2.291 20 0 GEADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCC3SCCS3)CC2)CC1 ZINC000823602586 653873706 /nfs/dbraw/zinc/87/37/06/653873706.db2.gz ZLBKLIDFRHATCS-UHFFFAOYSA-N 2 2 386.631 2.384 20 0 GEADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCC3SCCS3)CC2)CC1 ZINC000823602586 653873709 /nfs/dbraw/zinc/87/37/09/653873709.db2.gz ZLBKLIDFRHATCS-UHFFFAOYSA-N 2 2 386.631 2.384 20 0 GEADLP CN([C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccns1 ZINC000885073533 653910329 /nfs/dbraw/zinc/91/03/29/653910329.db2.gz HDLPWPCSXWLVJJ-HOTGVXAUSA-N 2 2 386.587 2.101 20 0 GEADLP CN([C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccns1 ZINC000885073533 653910332 /nfs/dbraw/zinc/91/03/32/653910332.db2.gz HDLPWPCSXWLVJJ-HOTGVXAUSA-N 2 2 386.587 2.101 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCn1cc(-c2csc(CC(F)(F)F)n2)nn1 ZINC000887488731 654036591 /nfs/dbraw/zinc/03/65/91/654036591.db2.gz BKZNTULYEWJLFU-UHFFFAOYSA-N 2 2 376.452 2.390 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCn1cc(-c2csc(CC(F)(F)F)n2)nn1 ZINC000887488731 654036592 /nfs/dbraw/zinc/03/65/92/654036592.db2.gz BKZNTULYEWJLFU-UHFFFAOYSA-N 2 2 376.452 2.390 20 0 GEADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)Cc3cccnc3Br)c2)CC1 ZINC000870666335 654187425 /nfs/dbraw/zinc/18/74/25/654187425.db2.gz FLDUESXTWSIPBZ-UHFFFAOYSA-N 2 2 390.285 2.172 20 0 GEADLP CC(C)[NH+]1CCN(CCC[NH+]2CC(O)(c3ccc(Br)cc3)C2)CC1 ZINC000852726738 654256141 /nfs/dbraw/zinc/25/61/41/654256141.db2.gz BGMHWMKFGXJHHC-UHFFFAOYSA-N 2 2 396.373 2.368 20 0 GEADLP O=S(=O)(c1ccc(Cl)c(F)c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562381 654256728 /nfs/dbraw/zinc/25/67/28/654256728.db2.gz KUCBQDLAEPKVBZ-OKILXGFUSA-N 2 2 387.908 2.068 20 0 GEADLP O=S(=O)(c1ccc(Cl)c(F)c1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562381 654256732 /nfs/dbraw/zinc/25/67/32/654256732.db2.gz KUCBQDLAEPKVBZ-OKILXGFUSA-N 2 2 387.908 2.068 20 0 GEADLP C[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000903755264 654282428 /nfs/dbraw/zinc/28/24/28/654282428.db2.gz DNNMPHLNWIPAMI-HOTGVXAUSA-N 2 2 396.329 2.066 20 0 GEADLP C[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000903755264 654282432 /nfs/dbraw/zinc/28/24/32/654282432.db2.gz DNNMPHLNWIPAMI-HOTGVXAUSA-N 2 2 396.329 2.066 20 0 GEADLP C[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@@H](CO)c1cccc(Br)c1 ZINC000903897668 654290845 /nfs/dbraw/zinc/29/08/45/654290845.db2.gz IGPXBCFVOZIQDT-RDJZCZTQSA-N 2 2 394.317 2.131 20 0 GEADLP C[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@@H](CO)c1cccc(Br)c1 ZINC000903897668 654290851 /nfs/dbraw/zinc/29/08/51/654290851.db2.gz IGPXBCFVOZIQDT-RDJZCZTQSA-N 2 2 394.317 2.131 20 0 GEADLP Cc1cccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1Br ZINC000921747094 654317767 /nfs/dbraw/zinc/31/77/67/654317767.db2.gz LXIVWGQIUAIPBZ-QGZVFWFLSA-N 2 2 382.346 2.254 20 0 GEADLP O[C@@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000905121694 654333076 /nfs/dbraw/zinc/33/30/76/654333076.db2.gz FQXMBEGYUSYBNS-YJBOKZPZSA-N 2 2 388.339 2.023 20 0 GEADLP Cc1nc(C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)sc1Br ZINC000921940048 654345375 /nfs/dbraw/zinc/34/53/75/654345375.db2.gz JUDXMCVXAWUXPH-LBPRGKRZSA-N 2 2 391.379 2.396 20 0 GEADLP O=C(c1cccc(Cl)c1Cl)N1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923303252 654442562 /nfs/dbraw/zinc/44/25/62/654442562.db2.gz ARYZPTNELCRYKS-CYBMUJFWSA-N 2 2 384.307 2.130 20 0 GEADLP Cn1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(I)n1 ZINC000894199541 654455356 /nfs/dbraw/zinc/45/53/56/654455356.db2.gz LOZRHRTULCYOAH-LBPRGKRZSA-N 2 2 387.269 2.426 20 0 GEADLP Cc1ccc(Br)c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000931216391 654734041 /nfs/dbraw/zinc/73/40/41/654734041.db2.gz GLJCQFZGEJTZDE-UHFFFAOYSA-N 2 2 395.345 2.441 20 0 GEADLP C[NH+]1C[C@]2(C)C[NH+](C[C@@H](O)COc3ccc(Br)cc3)C[C@@]2(C)C1 ZINC000931305568 654737911 /nfs/dbraw/zinc/73/79/11/654737911.db2.gz ZOISXJWYRRYXHC-KBAYOESNSA-N 2 2 383.330 2.462 20 0 GEADLP C[NH+](C)CC1(O)CC[NH+](Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000931488044 654743790 /nfs/dbraw/zinc/74/37/90/654743790.db2.gz LTPFNKNZLMUEEH-UHFFFAOYSA-N 2 2 395.301 2.388 20 0 GEADLP Cc1ccc(Br)c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000932578241 654782521 /nfs/dbraw/zinc/78/25/21/654782521.db2.gz VBAGPHKINFBAHT-HNNXBMFYSA-N 2 2 395.345 2.393 20 0 GEADLP Cc1ccc(Br)c(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000932578241 654782525 /nfs/dbraw/zinc/78/25/25/654782525.db2.gz VBAGPHKINFBAHT-HNNXBMFYSA-N 2 2 395.345 2.393 20 0 GEADLP Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnc1Br ZINC000932575907 654782640 /nfs/dbraw/zinc/78/26/40/654782640.db2.gz JXFGSBKBVLQHKB-MRXNPFEDSA-N 2 2 395.345 2.393 20 0 GEADLP Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnc1Br ZINC000932575907 654782642 /nfs/dbraw/zinc/78/26/42/654782642.db2.gz JXFGSBKBVLQHKB-MRXNPFEDSA-N 2 2 395.345 2.393 20 0 GEADLP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O ZINC000934784522 654859497 /nfs/dbraw/zinc/85/94/97/654859497.db2.gz IRZQEGJNQCVHCM-HUUCEWRRSA-N 2 2 379.448 2.413 20 0 GEADLP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O ZINC000934784522 654859501 /nfs/dbraw/zinc/85/95/01/654859501.db2.gz IRZQEGJNQCVHCM-HUUCEWRRSA-N 2 2 379.448 2.413 20 0 GEADLP C[NH+]1CCN(c2cccc(N3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)[nH+]2)CC1 ZINC001164626474 719046736 /nfs/dbraw/zinc/04/67/36/719046736.db2.gz RMEPQQPGCRWEAY-OFNKIYASSA-N 3 2 377.536 2.417 20 0 GEADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N(C)C)[nH+]cn1)CC2 ZINC001164710012 720094554 /nfs/dbraw/zinc/09/45/54/720094554.db2.gz FKUWDRAWJCLGCL-IBGZPJMESA-N 2 2 396.539 2.445 20 0 GEADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N(C)C)[nH+]cn1)CC2 ZINC001164710012 720094561 /nfs/dbraw/zinc/09/45/61/720094561.db2.gz FKUWDRAWJCLGCL-IBGZPJMESA-N 2 2 396.539 2.445 20 0 GEADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N(C)C)nc[nH+]1)CC2 ZINC001164710012 720094566 /nfs/dbraw/zinc/09/45/66/720094566.db2.gz FKUWDRAWJCLGCL-IBGZPJMESA-N 2 2 396.539 2.445 20 0 GEADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N(C)C)nc[nH+]1)CC2 ZINC001164710012 720094573 /nfs/dbraw/zinc/09/45/73/720094573.db2.gz FKUWDRAWJCLGCL-IBGZPJMESA-N 2 2 396.539 2.445 20 0 GEADLP Cc1cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc(C(C)C)[nH+]1 ZINC001164713337 720195976 /nfs/dbraw/zinc/19/59/76/720195976.db2.gz BHMQJAQFTXERPT-GOSISDBHSA-N 2 2 399.543 2.253 20 0 GEADLP Cc1cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc(C(C)C)[nH+]1 ZINC001164713339 720197124 /nfs/dbraw/zinc/19/71/24/720197124.db2.gz BHMQJAQFTXERPT-SFHVURJKSA-N 2 2 399.543 2.253 20 0 GEADLP C[NH+]1CCN(c2cccc(N3CCC[C@]4(CCN(CC5CC5)C4=O)C3)[nH+]2)CC1 ZINC001164819920 720279428 /nfs/dbraw/zinc/27/94/28/720279428.db2.gz TVRDFJKAWNFXQX-QFIPXVFZSA-N 2 2 383.540 2.062 20 0 GEADLP Cc1c[nH+]c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1NC1CC1 ZINC001164817629 720285510 /nfs/dbraw/zinc/28/55/10/720285510.db2.gz FLLWTIJICGTCFU-RBUKOAKNSA-N 2 2 398.555 2.271 20 0 GEADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+]ccc4cccc(C)c43)C2)C1 ZINC001164722357 720300073 /nfs/dbraw/zinc/30/00/73/720300073.db2.gz QFVUTSOYVMYLDA-JOCHJYFZSA-N 2 2 382.508 2.208 20 0 GEADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3[nH+]ccc4cccc(C)c43)C2)C1 ZINC001164722357 720300078 /nfs/dbraw/zinc/30/00/78/720300078.db2.gz QFVUTSOYVMYLDA-JOCHJYFZSA-N 2 2 382.508 2.208 20 0 GEADLP CCc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc(C)[nH+]1 ZINC001164746618 720848300 /nfs/dbraw/zinc/84/83/00/720848300.db2.gz PPVBGRRCBUNZKX-CEXWTWQISA-N 2 2 381.528 2.318 20 0 GEADLP CCc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc(C)[nH+]1 ZINC001164746618 720848302 /nfs/dbraw/zinc/84/83/02/720848302.db2.gz PPVBGRRCBUNZKX-CEXWTWQISA-N 2 2 381.528 2.318 20 0 GEADLP CCOC(=O)c1c(C)cc(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)[nH+]c1C ZINC001164857458 720861632 /nfs/dbraw/zinc/86/16/32/720861632.db2.gz QWIHLCPIYJZJAE-QZTJIDSGSA-N 2 2 391.512 2.049 20 0 GEADLP CCOC(=O)c1c(C)cc(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)[nH+]c1C ZINC001164857458 720861635 /nfs/dbraw/zinc/86/16/35/720861635.db2.gz QWIHLCPIYJZJAE-QZTJIDSGSA-N 2 2 391.512 2.049 20 0 GEADLP C[NH+](C)Cc1ccnc(N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)c1 ZINC001164766325 721276304 /nfs/dbraw/zinc/27/63/04/721276304.db2.gz DCOBBDIEGGIVCM-SFHVURJKSA-N 2 2 378.480 2.450 20 0 GEADLP COc1ccc2cc[nH+]c(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c2c1 ZINC001164797785 721517366 /nfs/dbraw/zinc/51/73/66/721517366.db2.gz NCJBFYYZIVDPNK-UHFFFAOYSA-N 2 2 392.507 2.208 20 0 GEADLP C[NH+]1CCN(c2cccc(N3CCC[C@H]4CN(C(=O)c5ccco5)C[C@@H]43)[nH+]2)CC1 ZINC001165014728 721771231 /nfs/dbraw/zinc/77/12/31/721771231.db2.gz FVCDGLCPWWRQFO-ROUUACIJSA-N 2 2 395.507 2.167 20 0 GEADLP c1cc2c[nH+]c(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cc2[nH]1 ZINC001164911316 721771694 /nfs/dbraw/zinc/77/16/94/721771694.db2.gz GEJVAKDSERSZNL-NRFANRHFSA-N 2 2 379.464 2.066 20 0 GEADLP c1cc2c[nH+]c(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cc2[nH]1 ZINC001164911316 721771696 /nfs/dbraw/zinc/77/16/96/721771696.db2.gz GEJVAKDSERSZNL-NRFANRHFSA-N 2 2 379.464 2.066 20 0 GEADLP c1cc2c[nH+]c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cc2[nH]1 ZINC001164911320 721771773 /nfs/dbraw/zinc/77/17/73/721771773.db2.gz GEJVAKDSERSZNL-OAQYLSRUSA-N 2 2 379.464 2.066 20 0 GEADLP c1cc2c[nH+]c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cc2[nH]1 ZINC001164911320 721771778 /nfs/dbraw/zinc/77/17/78/721771778.db2.gz GEJVAKDSERSZNL-OAQYLSRUSA-N 2 2 379.464 2.066 20 0 GEADLP CCN(CC)c1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc[nH+]1 ZINC001164976047 722130577 /nfs/dbraw/zinc/13/05/77/722130577.db2.gz GTVAMMAYJKYSLH-UXHICEINSA-N 2 2 396.539 2.445 20 0 GEADLP CCN(CC)c1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc[nH+]1 ZINC001164976047 722130581 /nfs/dbraw/zinc/13/05/81/722130581.db2.gz GTVAMMAYJKYSLH-UXHICEINSA-N 2 2 396.539 2.445 20 0 GEADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981528 722135581 /nfs/dbraw/zinc/13/55/81/722135581.db2.gz PGAUJSWIFVTMIC-WOJBJXKFSA-N 2 2 395.507 2.471 20 0 GEADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981528 722135582 /nfs/dbraw/zinc/13/55/82/722135582.db2.gz PGAUJSWIFVTMIC-WOJBJXKFSA-N 2 2 395.507 2.471 20 0 GEADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981525 722135756 /nfs/dbraw/zinc/13/57/56/722135756.db2.gz PGAUJSWIFVTMIC-VQTJNVASSA-N 2 2 395.507 2.471 20 0 GEADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981525 722135757 /nfs/dbraw/zinc/13/57/57/722135757.db2.gz PGAUJSWIFVTMIC-VQTJNVASSA-N 2 2 395.507 2.471 20 0 GEADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000151788824 531520907 /nfs/dbraw/zinc/52/09/07/531520907.db2.gz COSDDWBWPRQDST-KBXCAEBGSA-N 2 2 393.329 2.043 20 0 GEADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000151788824 531520910 /nfs/dbraw/zinc/52/09/10/531520910.db2.gz COSDDWBWPRQDST-KBXCAEBGSA-N 2 2 393.329 2.043 20 0 GEADLP C[NH+](C)C[C@](C)(O)CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000153373882 531596871 /nfs/dbraw/zinc/59/68/71/531596871.db2.gz MWQYZOKGKZPVKQ-FUHWJXTLSA-N 2 2 398.345 2.015 20 0 GEADLP C[N@H+](CC(=O)Nc1cccc(I)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746844 531661811 /nfs/dbraw/zinc/66/18/11/531661811.db2.gz OZSJTYFUSNOQAE-YIONKMFJSA-N 2 2 399.276 2.445 20 0 GEADLP C[N@@H+](CC(=O)Nc1cccc(I)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746844 531661821 /nfs/dbraw/zinc/66/18/21/531661821.db2.gz OZSJTYFUSNOQAE-YIONKMFJSA-N 2 2 399.276 2.445 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044529223 531681667 /nfs/dbraw/zinc/68/16/67/531681667.db2.gz WLBIHJBMNGJRQO-LBPRGKRZSA-N 2 2 387.265 2.209 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044529223 531681674 /nfs/dbraw/zinc/68/16/74/531681674.db2.gz WLBIHJBMNGJRQO-LBPRGKRZSA-N 2 2 387.265 2.209 20 0 GEADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc(Br)ccc2F)CC1 ZINC000171656218 531909767 /nfs/dbraw/zinc/90/97/67/531909767.db2.gz YTZVFGVHTDCMSA-UHFFFAOYSA-N 2 2 386.309 2.478 20 0 GEADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccccc2Br)CC1 ZINC000174302614 532060209 /nfs/dbraw/zinc/06/02/09/532060209.db2.gz SJXWKCCDWPXXGQ-ZDUSSCGKSA-N 2 2 384.318 2.477 20 0 GEADLP CC[C@H]1C[N@H+](CC(=O)Nc2cccc(I)c2)CC[C@@H]1[NH3+] ZINC000122767530 532082619 /nfs/dbraw/zinc/08/26/19/532082619.db2.gz DECCFBZKOXJYCQ-FZMZJTMJSA-N 2 2 387.265 2.289 20 0 GEADLP CC[C@H]1C[N@@H+](CC(=O)Nc2cccc(I)c2)CC[C@@H]1[NH3+] ZINC000122767530 532082623 /nfs/dbraw/zinc/08/26/23/532082623.db2.gz DECCFBZKOXJYCQ-FZMZJTMJSA-N 2 2 387.265 2.289 20 0 GEADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2cc(Br)cs2)CC1 ZINC000175640950 532110124 /nfs/dbraw/zinc/11/01/24/532110124.db2.gz KMPDTFJLNRFPFU-UHFFFAOYSA-N 2 2 389.363 2.336 20 0 GEADLP C[N@H+](CCCn1cc[nH+]c1)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000124356832 532120132 /nfs/dbraw/zinc/12/01/32/532120132.db2.gz CGGALWLRZHQBGB-UHFFFAOYSA-N 2 2 386.315 2.441 20 0 GEADLP C[N@@H+](CCCn1cc[nH+]c1)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000124356832 532120135 /nfs/dbraw/zinc/12/01/35/532120135.db2.gz CGGALWLRZHQBGB-UHFFFAOYSA-N 2 2 386.315 2.441 20 0 GEADLP Cc1[nH+]ccn1CCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000124659184 532126192 /nfs/dbraw/zinc/12/61/92/532126192.db2.gz CZYFXLBFRRFZRQ-UHFFFAOYSA-N 2 2 382.917 2.242 20 0 GEADLP C[C@@H](Oc1ccc(Br)cc1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177131562 532162608 /nfs/dbraw/zinc/16/26/08/532162608.db2.gz KRAFTHUVVCJUKQ-CQSZACIVSA-N 2 2 398.345 2.359 20 0 GEADLP CS(=O)(=O)N1CCC([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000129696118 532181584 /nfs/dbraw/zinc/18/15/84/532181584.db2.gz QHPKFSSIAHMGGL-UHFFFAOYSA-N 2 2 385.961 2.318 20 0 GEADLP COc1ccc(Br)cc1[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000180462280 532271639 /nfs/dbraw/zinc/27/16/39/532271639.db2.gz AESKBCZCFXGSRV-INIZCTEOSA-N 2 2 396.329 2.369 20 0 GEADLP COc1ccc(Br)cc1[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000180462280 532271645 /nfs/dbraw/zinc/27/16/45/532271645.db2.gz AESKBCZCFXGSRV-INIZCTEOSA-N 2 2 396.329 2.369 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cc(F)ccc1Cl ZINC000181066038 532289673 /nfs/dbraw/zinc/28/96/73/532289673.db2.gz FDHAUCUQOQDXKM-UHFFFAOYSA-N 2 2 377.913 2.126 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cc(F)ccc1Cl ZINC000181066038 532289676 /nfs/dbraw/zinc/28/96/76/532289676.db2.gz FDHAUCUQOQDXKM-UHFFFAOYSA-N 2 2 377.913 2.126 20 0 GEADLP C[N@H+](CC(=O)NCc1cn2cc(Br)ccc2[nH+]1)[C@H]1CCSC1 ZINC000137728685 532291327 /nfs/dbraw/zinc/29/13/27/532291327.db2.gz BPDXMQOWJCGOII-ZDUSSCGKSA-N 2 2 383.315 2.150 20 0 GEADLP C[N@@H+](CC(=O)NCc1cn2cc(Br)ccc2[nH+]1)[C@H]1CCSC1 ZINC000137728685 532291328 /nfs/dbraw/zinc/29/13/28/532291328.db2.gz BPDXMQOWJCGOII-ZDUSSCGKSA-N 2 2 383.315 2.150 20 0 GEADLP Cc1ccc(Br)nc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000190691238 532357501 /nfs/dbraw/zinc/35/75/01/532357501.db2.gz BHOPDGOEIBMIQX-UHFFFAOYSA-N 2 2 395.345 2.441 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)COc3ccccc3Br)C2)CC1 ZINC000372344268 532385354 /nfs/dbraw/zinc/38/53/54/532385354.db2.gz BNFYZSLQMYDBAN-CQSZACIVSA-N 2 2 396.329 2.113 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)COc3ccccc3Br)C2)CC1 ZINC000372344268 532385363 /nfs/dbraw/zinc/38/53/63/532385363.db2.gz BNFYZSLQMYDBAN-CQSZACIVSA-N 2 2 396.329 2.113 20 0 GEADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc3c(cc2Br)OCCO3)CC12CCOCC2 ZINC000516970797 532400631 /nfs/dbraw/zinc/40/06/31/532400631.db2.gz BKWZRLDVCYNYNO-CQSZACIVSA-N 2 2 397.313 2.408 20 0 GEADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc3c(cc2Br)OCCO3)CC12CCOCC2 ZINC000516970797 532400636 /nfs/dbraw/zinc/40/06/36/532400636.db2.gz BKWZRLDVCYNYNO-CQSZACIVSA-N 2 2 397.313 2.408 20 0 GEADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc2c(cc1Br)OCCO2 ZINC000678755411 532400645 /nfs/dbraw/zinc/40/06/45/532400645.db2.gz DCVDXMFUAKXFOH-CHWSQXEVSA-N 2 2 385.302 2.328 20 0 GEADLP C[C@H](C[S@@](C)=O)[NH+](C)Cc1cc(C[N@@H+](C)[C@H](C)C[S@](C)=O)ccc1F ZINC000295065840 532400813 /nfs/dbraw/zinc/40/08/13/532400813.db2.gz VVANYMPARIFXMM-YPEMKDIVSA-N 2 2 390.590 2.223 20 0 GEADLP C[C@H](C[S@@](C)=O)[NH+](C)Cc1cc(C[N@H+](C)[C@H](C)C[S@](C)=O)ccc1F ZINC000295065840 532400820 /nfs/dbraw/zinc/40/08/20/532400820.db2.gz VVANYMPARIFXMM-YPEMKDIVSA-N 2 2 390.590 2.223 20 0 GEADLP C[C@H](C[S@](C)=O)[NH+](C)Cc1ccc(F)c(C[N@H+](C)[C@H](C)C[S@@](C)=O)c1 ZINC000295065840 532400825 /nfs/dbraw/zinc/40/08/25/532400825.db2.gz VVANYMPARIFXMM-YPEMKDIVSA-N 2 2 390.590 2.223 20 0 GEADLP C[C@H](C[S@](C)=O)[NH+](C)Cc1ccc(F)c(C[N@@H+](C)[C@H](C)C[S@@](C)=O)c1 ZINC000295065840 532400828 /nfs/dbraw/zinc/40/08/28/532400828.db2.gz VVANYMPARIFXMM-YPEMKDIVSA-N 2 2 390.590 2.223 20 0 GEADLP C[C@H](C[S@](C)=O)[NH+](C)Cc1cc(C[N@@H+](C)[C@H](C)C[S@](C)=O)ccc1F ZINC000295065838 532401466 /nfs/dbraw/zinc/40/14/66/532401466.db2.gz VVANYMPARIFXMM-WAEWCAHJSA-N 2 2 390.590 2.223 20 0 GEADLP C[C@H](C[S@](C)=O)[NH+](C)Cc1cc(C[N@H+](C)[C@H](C)C[S@](C)=O)ccc1F ZINC000295065838 532401479 /nfs/dbraw/zinc/40/14/79/532401479.db2.gz VVANYMPARIFXMM-WAEWCAHJSA-N 2 2 390.590 2.223 20 0 GEADLP C[C@H](C[S@](C)=O)[NH+](C)Cc1ccc(F)c(C[N@H+](C)[C@H](C)C[S@](C)=O)c1 ZINC000295065838 532401484 /nfs/dbraw/zinc/40/14/84/532401484.db2.gz VVANYMPARIFXMM-WAEWCAHJSA-N 2 2 390.590 2.223 20 0 GEADLP C[C@H](C[S@](C)=O)[NH+](C)Cc1ccc(F)c(C[N@@H+](C)[C@H](C)C[S@](C)=O)c1 ZINC000295065838 532401490 /nfs/dbraw/zinc/40/14/90/532401490.db2.gz VVANYMPARIFXMM-WAEWCAHJSA-N 2 2 390.590 2.223 20 0 GEADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCc2ccc(Br)s2)C[C@@H](C)O1 ZINC000517358703 532415616 /nfs/dbraw/zinc/41/56/16/532415616.db2.gz KSLOQXRYRDEVIE-JHJVBQTASA-N 2 2 377.348 2.113 20 0 GEADLP C[C@H](C(=O)Nc1cccc(I)c1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193656805 532429116 /nfs/dbraw/zinc/42/91/16/532429116.db2.gz OLGLZHWYILZMQN-UPJWGTAASA-N 2 2 399.276 2.112 20 0 GEADLP C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193656805 532429125 /nfs/dbraw/zinc/42/91/25/532429125.db2.gz OLGLZHWYILZMQN-UPJWGTAASA-N 2 2 399.276 2.112 20 0 GEADLP C[C@H](C(=O)Nc1cccc(I)c1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193656805 532429129 /nfs/dbraw/zinc/42/91/29/532429129.db2.gz OLGLZHWYILZMQN-UPJWGTAASA-N 2 2 399.276 2.112 20 0 GEADLP C[C@H](C(=O)Nc1cccc(I)c1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193656805 532429135 /nfs/dbraw/zinc/42/91/35/532429135.db2.gz OLGLZHWYILZMQN-UPJWGTAASA-N 2 2 399.276 2.112 20 0 GEADLP CSCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000591939158 532429508 /nfs/dbraw/zinc/42/95/08/532429508.db2.gz MUQGJBKIZWRETA-HNNXBMFYSA-N 2 2 375.460 2.430 20 0 GEADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ncc(Br)cc1F ZINC000427696027 532430547 /nfs/dbraw/zinc/43/05/47/532430547.db2.gz OKFXMRMZGNQDBR-VXGBXAGGSA-N 2 2 387.297 2.221 20 0 GEADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ncc(Br)cc1F ZINC000427696027 532430549 /nfs/dbraw/zinc/43/05/49/532430549.db2.gz OKFXMRMZGNQDBR-VXGBXAGGSA-N 2 2 387.297 2.221 20 0 GEADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Br)cc2)C[C@@H](C)O1 ZINC000563002909 532492929 /nfs/dbraw/zinc/49/29/29/532492929.db2.gz LPXKRTIKVFTHLN-KAEUXLIGSA-N 2 2 383.330 2.365 20 0 GEADLP CCOc1cc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc(Br)c1OC ZINC000629654821 532498619 /nfs/dbraw/zinc/49/86/19/532498619.db2.gz GEPSZYDIMGTHLP-UHFFFAOYSA-N 2 2 397.273 2.101 20 0 GEADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000430579948 532501828 /nfs/dbraw/zinc/50/18/28/532501828.db2.gz ZUGZVUZUEURZGV-QGZVFWFLSA-N 2 2 388.343 2.000 20 0 GEADLP COc1ccc(Br)cc1C[NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000375240750 532544054 /nfs/dbraw/zinc/54/40/54/532544054.db2.gz SJCPQTVDUQRSPD-CXAGYDPISA-N 2 2 393.285 2.301 20 0 GEADLP Cc1cc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000631346881 532554277 /nfs/dbraw/zinc/55/42/77/532554277.db2.gz RZUWLAPHCZBMAK-JKSUJKDBSA-N 2 2 389.297 2.470 20 0 GEADLP Cc1cc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000631346881 532554283 /nfs/dbraw/zinc/55/42/83/532554283.db2.gz RZUWLAPHCZBMAK-JKSUJKDBSA-N 2 2 389.297 2.470 20 0 GEADLP COc1sc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1Br ZINC000262072721 532584856 /nfs/dbraw/zinc/58/48/56/532584856.db2.gz SEVIFGZUSZWOQM-NSHDSACASA-N 2 2 390.347 2.339 20 0 GEADLP COc1sc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1Br ZINC000262072721 532584861 /nfs/dbraw/zinc/58/48/61/532584861.db2.gz SEVIFGZUSZWOQM-NSHDSACASA-N 2 2 390.347 2.339 20 0 GEADLP CO[C@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccccc1Br ZINC000654857393 532572353 /nfs/dbraw/zinc/57/23/53/532572353.db2.gz QDZLWXINDAFCJH-KRWDZBQOSA-N 2 2 398.345 2.279 20 0 GEADLP O=C(CC[NH2+][C@H]1CCC[N@@H+](CCCO)C1)Nc1ccc(Br)cc1 ZINC000565716521 532574234 /nfs/dbraw/zinc/57/42/34/532574234.db2.gz ILLYOQOXSUBYQX-INIZCTEOSA-N 2 2 384.318 2.214 20 0 GEADLP O=C(CC[NH2+][C@H]1CCC[N@H+](CCCO)C1)Nc1ccc(Br)cc1 ZINC000565716521 532574246 /nfs/dbraw/zinc/57/42/46/532574246.db2.gz ILLYOQOXSUBYQX-INIZCTEOSA-N 2 2 384.318 2.214 20 0 GEADLP C[C@]([NH3+])(C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Br)cc1 ZINC000261677170 532576533 /nfs/dbraw/zinc/57/65/33/532576533.db2.gz GNHVKBYBPGXJFX-GOSISDBHSA-N 2 2 389.297 2.367 20 0 GEADLP Brc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c(N2CCOCC2)c1 ZINC000261998176 532581305 /nfs/dbraw/zinc/58/13/05/532581305.db2.gz LARICMDEGWTOGP-SFHVURJKSA-N 2 2 380.330 2.471 20 0 GEADLP Brc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c(N2CCOCC2)c1 ZINC000261998176 532581309 /nfs/dbraw/zinc/58/13/09/532581309.db2.gz LARICMDEGWTOGP-SFHVURJKSA-N 2 2 380.330 2.471 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H](C)C[C@@H](C)[NH3+])[nH+]c12 ZINC000566193720 532600590 /nfs/dbraw/zinc/60/05/90/532600590.db2.gz YEHRIRYDAONPKC-NEPJUHHUSA-N 2 2 382.306 2.373 20 0 GEADLP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccccc1I ZINC000596653451 532602193 /nfs/dbraw/zinc/60/21/93/532602193.db2.gz KLTMIKQQYHSBAG-VIFPVBQESA-N 2 2 384.221 2.096 20 0 GEADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCc3cccc(Br)c3C2)CC1 ZINC000531802320 532636088 /nfs/dbraw/zinc/63/60/88/532636088.db2.gz UWINGQBJXUIYMT-AWEZNQCLSA-N 2 2 380.330 2.360 20 0 GEADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCc3cccc(Br)c3C2)CC1 ZINC000531802320 532636092 /nfs/dbraw/zinc/63/60/92/532636092.db2.gz UWINGQBJXUIYMT-AWEZNQCLSA-N 2 2 380.330 2.360 20 0 GEADLP CN(C(=O)c1ccc(Br)cn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377638130 532665524 /nfs/dbraw/zinc/66/55/24/532665524.db2.gz ATWFDGITOJXOKS-HNNXBMFYSA-N 2 2 381.318 2.085 20 0 GEADLP CN(C(=O)c1ccc(Br)cn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377638130 532665529 /nfs/dbraw/zinc/66/55/29/532665529.db2.gz ATWFDGITOJXOKS-HNNXBMFYSA-N 2 2 381.318 2.085 20 0 GEADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cnn2cc(Br)cnc12 ZINC000638180336 532684421 /nfs/dbraw/zinc/68/44/21/532684421.db2.gz KAFULWBPMMMRAM-PMPSAXMXSA-N 2 2 394.317 2.175 20 0 GEADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cnn2cc(Br)cnc12 ZINC000638180336 532684422 /nfs/dbraw/zinc/68/44/22/532684422.db2.gz KAFULWBPMMMRAM-PMPSAXMXSA-N 2 2 394.317 2.175 20 0 GEADLP NS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000638177563 532684700 /nfs/dbraw/zinc/68/47/00/532684700.db2.gz BYVVXUVOLYAPFD-YOEHRIQHSA-N 2 2 383.945 2.436 20 0 GEADLP NS(=O)(=O)c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000638177563 532684705 /nfs/dbraw/zinc/68/47/05/532684705.db2.gz BYVVXUVOLYAPFD-YOEHRIQHSA-N 2 2 383.945 2.436 20 0 GEADLP NS(=O)(=O)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000638177563 532684712 /nfs/dbraw/zinc/68/47/12/532684712.db2.gz BYVVXUVOLYAPFD-YOEHRIQHSA-N 2 2 383.945 2.436 20 0 GEADLP NS(=O)(=O)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000638177563 532684715 /nfs/dbraw/zinc/68/47/15/532684715.db2.gz BYVVXUVOLYAPFD-YOEHRIQHSA-N 2 2 383.945 2.436 20 0 GEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000582601513 532760031 /nfs/dbraw/zinc/76/00/31/532760031.db2.gz NWWFJZCQLDYJOT-RGYTYGDFSA-N 2 2 387.293 2.400 20 0 GEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000582601513 532760037 /nfs/dbraw/zinc/76/00/37/532760037.db2.gz NWWFJZCQLDYJOT-RGYTYGDFSA-N 2 2 387.293 2.400 20 0 GEADLP CS(=O)(=O)N1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000269018075 532774970 /nfs/dbraw/zinc/77/49/70/532774970.db2.gz PDOLVGWMRAUWHY-GOSISDBHSA-N 2 2 385.961 2.318 20 0 GEADLP O=S(=O)(CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)NCc1ccccc1 ZINC000542322512 532770550 /nfs/dbraw/zinc/77/05/50/532770550.db2.gz JAACXGWJOOGEOI-UHFFFAOYSA-N 2 2 376.507 2.143 20 0 GEADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000268818348 532771905 /nfs/dbraw/zinc/77/19/05/532771905.db2.gz QUNQMDWQUWIKOP-ZDUSSCGKSA-N 2 2 376.469 2.444 20 0 GEADLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268837811 532772580 /nfs/dbraw/zinc/77/25/80/532772580.db2.gz MNBVQULSFZIZPZ-ZDUSSCGKSA-N 2 2 376.469 2.180 20 0 GEADLP C[NH+]1CCc2nc(C(NC3CC3)c3nc4c(s3)C[N@H+](C)CC4)sc2C1 ZINC000542476258 532773625 /nfs/dbraw/zinc/77/36/25/532773625.db2.gz DAJCBJYDEHJORL-UHFFFAOYSA-N 2 2 375.567 2.417 20 0 GEADLP C[NH+]1CCc2nc(C(NC3CC3)c3nc4c(s3)C[N@@H+](C)CC4)sc2C1 ZINC000542476258 532773631 /nfs/dbraw/zinc/77/36/31/532773631.db2.gz DAJCBJYDEHJORL-UHFFFAOYSA-N 2 2 375.567 2.417 20 0 GEADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000320515981 532787603 /nfs/dbraw/zinc/78/76/03/532787603.db2.gz DKZXULVQUKNONV-UHFFFAOYSA-N 2 2 379.719 2.422 20 0 GEADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000320515981 532787608 /nfs/dbraw/zinc/78/76/08/532787608.db2.gz DKZXULVQUKNONV-UHFFFAOYSA-N 2 2 379.719 2.422 20 0 GEADLP COC[C@@]1(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CCC[NH2+]1 ZINC000414937577 532836371 /nfs/dbraw/zinc/83/63/71/532836371.db2.gz DDTKZORBOVDLCN-KRWDZBQOSA-N 2 2 379.302 2.493 20 0 GEADLP COc1cc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cc(Br)c1OC(F)F ZINC000415090674 532837646 /nfs/dbraw/zinc/83/76/46/532837646.db2.gz AZKUHLZRGIPBMT-JTQLQIEISA-N 2 2 381.217 2.137 20 0 GEADLP C[C@@H](C[NH2+]Cc1nc2ccccn2c1Br)CN1CC[NH+](C)CC1 ZINC000290478011 532882364 /nfs/dbraw/zinc/88/23/64/532882364.db2.gz VDORDDOGNZKZRG-AWEZNQCLSA-N 2 2 380.334 2.070 20 0 GEADLP CC(C)[C@H](CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000294033381 532934966 /nfs/dbraw/zinc/93/49/66/532934966.db2.gz HVPYCXQKWCMFCS-FUHWJXTLSA-N 2 2 398.345 2.096 20 0 GEADLP COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000737031315 598985791 /nfs/dbraw/zinc/98/57/91/598985791.db2.gz FNGNMKMMVMIYDJ-INIZCTEOSA-N 2 2 383.456 2.096 20 0 GEADLP COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000737031315 598985794 /nfs/dbraw/zinc/98/57/94/598985794.db2.gz FNGNMKMMVMIYDJ-INIZCTEOSA-N 2 2 383.456 2.096 20 0 GEADLP COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000737030808 598987227 /nfs/dbraw/zinc/98/72/27/598987227.db2.gz AHQOONQINVJDFL-KRWDZBQOSA-N 2 2 386.500 2.204 20 0 GEADLP COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000737030808 598987229 /nfs/dbraw/zinc/98/72/29/598987229.db2.gz AHQOONQINVJDFL-KRWDZBQOSA-N 2 2 386.500 2.204 20 0 GEADLP Cc1cccc2c(NCCC[NH+]3C[C@H](C)O[C@@H](C)C3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737410397 599122652 /nfs/dbraw/zinc/12/26/52/599122652.db2.gz SMLAMODONNCDQV-GJZGRUSLSA-N 2 2 381.484 2.056 20 0 GEADLP Cc1cccc2c(NCC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737410237 599265582 /nfs/dbraw/zinc/26/55/82/599265582.db2.gz QOACXQZKEBPOQO-GASCZTMLSA-N 2 2 395.511 2.445 20 0 GEADLP Cc1cccc2c(NCC(C)(C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737410237 599265584 /nfs/dbraw/zinc/26/55/84/599265584.db2.gz QOACXQZKEBPOQO-GASCZTMLSA-N 2 2 395.511 2.445 20 0 GEADLP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000736199245 599337960 /nfs/dbraw/zinc/33/79/60/599337960.db2.gz WTUDIMZXSFFFNK-INIZCTEOSA-N 2 2 380.500 2.221 20 0 GEADLP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000736199245 599337963 /nfs/dbraw/zinc/33/79/63/599337963.db2.gz WTUDIMZXSFFFNK-INIZCTEOSA-N 2 2 380.500 2.221 20 0 GEADLP CC[C@@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc32)CC[N@@H+]1C[C@H](C)O ZINC000820993931 599530901 /nfs/dbraw/zinc/53/09/01/599530901.db2.gz CDDHAVXPIJBTTE-JKSUJKDBSA-N 2 2 395.511 2.313 20 0 GEADLP CC[C@@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc32)CC[N@H+]1C[C@H](C)O ZINC000820993931 599530902 /nfs/dbraw/zinc/53/09/02/599530902.db2.gz CDDHAVXPIJBTTE-JKSUJKDBSA-N 2 2 395.511 2.313 20 0 GEADLP CC[C@@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)CC[N@@H+]1C[C@@H](C)O ZINC000820995797 599533679 /nfs/dbraw/zinc/53/36/79/599533679.db2.gz YIAPNIADUGFWLX-HUUCEWRRSA-N 2 2 381.484 2.005 20 0 GEADLP CC[C@@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)CC[N@H+]1C[C@@H](C)O ZINC000820995797 599533680 /nfs/dbraw/zinc/53/36/80/599533680.db2.gz YIAPNIADUGFWLX-HUUCEWRRSA-N 2 2 381.484 2.005 20 0 GEADLP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)cc2)CC1 ZINC000821627245 607475118 /nfs/dbraw/zinc/47/51/18/607475118.db2.gz SVMNEQAMFIGOJY-UHFFFAOYSA-N 2 2 395.486 2.043 20 0 GEADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)cc2)CC1 ZINC000821627245 607475119 /nfs/dbraw/zinc/47/51/19/607475119.db2.gz SVMNEQAMFIGOJY-UHFFFAOYSA-N 2 2 395.486 2.043 20 0 GEADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[NH+](C4CCOCC4)CC3)c2c1 ZINC000822195580 606164715 /nfs/dbraw/zinc/16/47/15/606164715.db2.gz XGROKFSTUJVXRU-UHFFFAOYSA-N 2 2 393.495 2.333 20 0 GEADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000822478896 606632537 /nfs/dbraw/zinc/63/25/37/606632537.db2.gz VRXSPQXRRJAVSX-GOSISDBHSA-N 2 2 389.467 2.357 20 0 GEADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000822478896 606632539 /nfs/dbraw/zinc/63/25/39/606632539.db2.gz VRXSPQXRRJAVSX-GOSISDBHSA-N 2 2 389.467 2.357 20 0 GEADLP C[C@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C[C@@H]1[NH+](C)C ZINC000820767079 606803199 /nfs/dbraw/zinc/80/31/99/606803199.db2.gz FWFCRTUZDJHWGH-BONVTDFDSA-N 2 2 389.410 2.403 20 0 GEADLP C[N@@H+]1CCC[C@H]2C[NH+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)CC[C@@H]21 ZINC000821625372 607002722 /nfs/dbraw/zinc/00/27/22/607002722.db2.gz MCNWXGNPDBJPLA-HKUYNNGSSA-N 2 2 378.484 2.104 20 0 GEADLP C[N@H+]1CCC[C@H]2C[NH+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)CC[C@@H]21 ZINC000821625372 607002724 /nfs/dbraw/zinc/00/27/24/607002724.db2.gz MCNWXGNPDBJPLA-HKUYNNGSSA-N 2 2 378.484 2.104 20 0 GEADLP C[NH+]1CCC[C@H]2C[N@H+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)CC[C@@H]21 ZINC000821625372 607002726 /nfs/dbraw/zinc/00/27/26/607002726.db2.gz MCNWXGNPDBJPLA-HKUYNNGSSA-N 2 2 378.484 2.104 20 0 GEADLP C[NH+]1CCC[C@H]2C[N@@H+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)CC[C@@H]21 ZINC000821625372 607002728 /nfs/dbraw/zinc/00/27/28/607002728.db2.gz MCNWXGNPDBJPLA-HKUYNNGSSA-N 2 2 378.484 2.104 20 0 GEADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)CC[C@H]21 ZINC000821625915 607073662 /nfs/dbraw/zinc/07/36/62/607073662.db2.gz YKPXZMKJGRESQY-UKRRQHHQSA-N 2 2 378.427 2.384 20 0 GEADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)CC[C@H]21 ZINC000821625915 607073664 /nfs/dbraw/zinc/07/36/64/607073664.db2.gz YKPXZMKJGRESQY-UKRRQHHQSA-N 2 2 378.427 2.384 20 0 GEADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)CC[C@H]21 ZINC000821625915 607073665 /nfs/dbraw/zinc/07/36/65/607073665.db2.gz YKPXZMKJGRESQY-UKRRQHHQSA-N 2 2 378.427 2.384 20 0 GEADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)CC[C@H]21 ZINC000821625915 607073667 /nfs/dbraw/zinc/07/36/67/607073667.db2.gz YKPXZMKJGRESQY-UKRRQHHQSA-N 2 2 378.427 2.384 20 0 GEADLP Cc1nn(-c2ccccc2)c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000826332091 608314711 /nfs/dbraw/zinc/31/47/11/608314711.db2.gz JQRMHXJGKBFKOB-YOEHRIQHSA-N 2 2 380.500 2.275 20 0 GEADLP Cc1nn(-c2ccccc2)c(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000826332091 608314712 /nfs/dbraw/zinc/31/47/12/608314712.db2.gz JQRMHXJGKBFKOB-YOEHRIQHSA-N 2 2 380.500 2.275 20 0 GEADLP Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1-c1nn[nH]n1 ZINC000826331909 608316632 /nfs/dbraw/zinc/31/66/32/608316632.db2.gz CMIJTPJSIQQOMW-HNNXBMFYSA-N 2 2 389.467 2.464 20 0 GEADLP Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1-c1nn[nH]n1 ZINC000826331909 608316633 /nfs/dbraw/zinc/31/66/33/608316633.db2.gz CMIJTPJSIQQOMW-HNNXBMFYSA-N 2 2 389.467 2.464 20 0 GEADLP CC(C)[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824297166 609334982 /nfs/dbraw/zinc/33/49/82/609334982.db2.gz RCQWNYCPLMGYAL-UHFFFAOYSA-N 2 2 380.500 2.230 20 0 GEADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCc3c(F)ccc(Br)c3C2)CC1 ZINC000451115111 650088209 /nfs/dbraw/zinc/08/82/09/650088209.db2.gz FXVRUKMJHONDTH-UHFFFAOYSA-N 2 2 384.293 2.110 20 0 GEADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCc3c(F)ccc(Br)c3C2)CC1 ZINC000451115111 650088211 /nfs/dbraw/zinc/08/82/11/650088211.db2.gz FXVRUKMJHONDTH-UHFFFAOYSA-N 2 2 384.293 2.110 20 0 GEADLP O=S(=O)(c1ccc(Cl)s1)N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000479687049 650608563 /nfs/dbraw/zinc/60/85/63/650608563.db2.gz NKLDZSFCGKDXTA-UHFFFAOYSA-N 2 2 377.963 2.098 20 0 GEADLP C[NH+](C)[C@]1(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CCSC1 ZINC000480275682 650618751 /nfs/dbraw/zinc/61/87/51/650618751.db2.gz QNNIAQKGAKHSHL-MJGOQNOKSA-N 2 2 379.595 2.330 20 0 GEADLP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(I)c2)C1 ZINC000484920638 650691171 /nfs/dbraw/zinc/69/11/71/650691171.db2.gz XLDNQNCKJOEBTK-SRVKXCTJSA-N 2 2 387.265 2.287 20 0 GEADLP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(I)c2)C1 ZINC000484920638 650691173 /nfs/dbraw/zinc/69/11/73/650691173.db2.gz XLDNQNCKJOEBTK-SRVKXCTJSA-N 2 2 387.265 2.287 20 0 GEADLP Cc1c[nH+]cn1CC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000529360644 650703766 /nfs/dbraw/zinc/70/37/66/650703766.db2.gz MPCVIISZGPLYOT-UHFFFAOYSA-N 2 2 392.257 2.473 20 0 GEADLP Cn1ncc(Br)c1CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000485954618 650703858 /nfs/dbraw/zinc/70/38/58/650703858.db2.gz UNXVWPBLBIZDHE-CYBMUJFWSA-N 2 2 379.306 2.330 20 0 GEADLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3c(Br)cnn3C)cn2)CC1 ZINC000486945659 650725918 /nfs/dbraw/zinc/72/59/18/650725918.db2.gz YLJXHSQONYZNOT-UHFFFAOYSA-N 2 2 393.333 2.009 20 0 GEADLP CS[C@H]1CN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)C[C@H]1[NH+](C)C ZINC000534825447 650780722 /nfs/dbraw/zinc/78/07/22/650780722.db2.gz FOKLIMXJUFPLNO-CVEARBPZSA-N 2 2 378.567 2.380 20 0 GEADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000536356201 650800874 /nfs/dbraw/zinc/80/08/74/650800874.db2.gz RTVHOAZRAVDTCE-AWEZNQCLSA-N 2 2 385.295 2.289 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3nc(Br)cs3)CC2)CC1 ZINC000119973660 643583050 /nfs/dbraw/zinc/58/30/50/643583050.db2.gz IVPNGDGBHUBUSW-UHFFFAOYSA-N 2 2 387.347 2.194 20 0 GEADLP CCOc1nn(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(=S)s1 ZINC000124602286 643688986 /nfs/dbraw/zinc/68/89/86/643688986.db2.gz ASEZQHUJJIJSPP-YIONKMFJSA-N 2 2 383.587 2.273 20 0 GEADLP CCOc1nn(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(=S)s1 ZINC000124602286 643688987 /nfs/dbraw/zinc/68/89/87/643688987.db2.gz ASEZQHUJJIJSPP-YIONKMFJSA-N 2 2 383.587 2.273 20 0 GEADLP CCOc1cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc(Br)c1OC ZINC000131407548 643872785 /nfs/dbraw/zinc/87/27/85/643872785.db2.gz MGRJVKKEGJUJTE-INIZCTEOSA-N 2 2 375.307 2.259 20 0 GEADLP C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(I)c2)C[C@H]1C[NH3+] ZINC000253180020 645568062 /nfs/dbraw/zinc/56/80/62/645568062.db2.gz DFGQWGJWUDYZTB-VXGBXAGGSA-N 2 2 387.265 2.146 20 0 GEADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(I)c2)C[C@H]1C[NH3+] ZINC000253180020 645568066 /nfs/dbraw/zinc/56/80/66/645568066.db2.gz DFGQWGJWUDYZTB-VXGBXAGGSA-N 2 2 387.265 2.146 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(Br)nc3)CC2)CC1 ZINC000266902116 645865196 /nfs/dbraw/zinc/86/51/96/645865196.db2.gz FAPBSDKOKGBHGJ-UHFFFAOYSA-N 2 2 381.318 2.133 20 0 GEADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280449893 646683348 /nfs/dbraw/zinc/68/33/48/646683348.db2.gz CQLNXQDLAWQVFG-LLVKDONJSA-N 2 2 387.303 2.034 20 0 GEADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280758749 646713718 /nfs/dbraw/zinc/71/37/18/646713718.db2.gz QMSAZLIQUFOZDC-QWRGUYRKSA-N 2 2 378.336 2.087 20 0 GEADLP O[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)COc1ccc(Cl)c(Cl)c1 ZINC000325845808 647303206 /nfs/dbraw/zinc/30/32/06/647303206.db2.gz TUPNQMMGHYDJSM-NFAWXSAZSA-N 2 2 375.296 2.186 20 0 GEADLP O[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)COc1ccc(Cl)c(Cl)c1 ZINC000325845808 647303212 /nfs/dbraw/zinc/30/32/12/647303212.db2.gz TUPNQMMGHYDJSM-NFAWXSAZSA-N 2 2 375.296 2.186 20 0 GEADLP O[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)COc1ccc(Cl)c(Cl)c1 ZINC000325845807 647303503 /nfs/dbraw/zinc/30/35/03/647303503.db2.gz TUPNQMMGHYDJSM-GZBFAFLISA-N 2 2 375.296 2.186 20 0 GEADLP O[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)COc1ccc(Cl)c(Cl)c1 ZINC000325845807 647303508 /nfs/dbraw/zinc/30/35/08/647303508.db2.gz TUPNQMMGHYDJSM-GZBFAFLISA-N 2 2 375.296 2.186 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@H](C[NH3+])C[C@@H]3C)[nH+]c12 ZINC000418025314 648271771 /nfs/dbraw/zinc/27/17/71/648271771.db2.gz UXZKJQYJPNMURC-STQMWFEESA-N 2 2 394.317 2.326 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)[nH+]c12 ZINC000418026593 648272305 /nfs/dbraw/zinc/27/23/05/648272305.db2.gz WFSAQQJXOULTJU-WFASDCNBSA-N 2 2 394.317 2.326 20 0 GEADLP [NH3+][C@@H](CNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1CC1 ZINC000418496233 648298322 /nfs/dbraw/zinc/29/83/22/648298322.db2.gz HIEGPFFHLJWJQA-AWEZNQCLSA-N 2 2 396.289 2.188 20 0 GEADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422768573 648575079 /nfs/dbraw/zinc/57/50/79/648575079.db2.gz UTHBUMGYYQYPAY-KSSFIOAISA-N 2 2 381.929 2.166 20 0 GEADLP Cc1ccc(C[C@H](CO)C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1Br ZINC000423164492 648585543 /nfs/dbraw/zinc/58/55/43/648585543.db2.gz SRIMGOBEUCOHFC-IPELMVKDSA-N 2 2 397.357 2.265 20 0 GEADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423258253 648588943 /nfs/dbraw/zinc/58/89/43/648588943.db2.gz BECSNAWFWNYQTE-PWSUYJOCSA-N 2 2 378.336 2.121 20 0 GEADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423300471 648589417 /nfs/dbraw/zinc/58/94/17/648589417.db2.gz RRKZFFYBEQMSIV-CMPLNLGQSA-N 2 2 378.336 2.265 20 0 GEADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](CC(=O)Nc3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000557339144 651268684 /nfs/dbraw/zinc/26/86/84/651268684.db2.gz LPUCSNBPLSEPBB-ZDUSSCGKSA-N 2 2 383.283 2.319 20 0 GEADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000557339144 651268686 /nfs/dbraw/zinc/26/86/86/651268686.db2.gz LPUCSNBPLSEPBB-ZDUSSCGKSA-N 2 2 383.283 2.319 20 0 GEADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1ncc(-c2ccccc2Br)o1 ZINC000649409771 651825787 /nfs/dbraw/zinc/82/57/87/651825787.db2.gz VYWQWTBWYKNXTJ-UHFFFAOYSA-N 2 2 379.302 2.441 20 0 GEADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ncc(-c2ccccc2Br)o1 ZINC000649409771 651825790 /nfs/dbraw/zinc/82/57/90/651825790.db2.gz VYWQWTBWYKNXTJ-UHFFFAOYSA-N 2 2 379.302 2.441 20 0 GEADLP C[N@@H+]1CCN(Cc2ccc(OC(F)(F)F)c(Br)c2)[C@H](C[NH3+])C1 ZINC000572721735 651907893 /nfs/dbraw/zinc/90/78/93/651907893.db2.gz BZWRRNMZOXPKSS-LLVKDONJSA-N 2 2 382.224 2.422 20 0 GEADLP C[N@H+]1CCN(Cc2ccc(OC(F)(F)F)c(Br)c2)[C@H](C[NH3+])C1 ZINC000572721735 651907899 /nfs/dbraw/zinc/90/78/99/651907899.db2.gz BZWRRNMZOXPKSS-LLVKDONJSA-N 2 2 382.224 2.422 20 0 GEADLP NC(=O)[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349645 651916183 /nfs/dbraw/zinc/91/61/83/651916183.db2.gz WSRMZMVZOIOQNA-HJWJTTGWSA-N 2 2 396.329 2.194 20 0 GEADLP NC(=O)[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349645 651916190 /nfs/dbraw/zinc/91/61/90/651916190.db2.gz WSRMZMVZOIOQNA-HJWJTTGWSA-N 2 2 396.329 2.194 20 0 GEADLP COc1c(Br)ccc(F)c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617763317 651971085 /nfs/dbraw/zinc/97/10/85/651971085.db2.gz MVWWDYOVGPVHQT-UHFFFAOYSA-N 2 2 390.297 2.210 20 0 GEADLP COc1c(Br)ccc(F)c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617763317 651971086 /nfs/dbraw/zinc/97/10/86/651971086.db2.gz MVWWDYOVGPVHQT-UHFFFAOYSA-N 2 2 390.297 2.210 20 0 GEADLP Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000742733826 651998854 /nfs/dbraw/zinc/99/88/54/651998854.db2.gz BIRKSNUYSSHVNU-GJZGRUSLSA-N 2 2 388.965 2.024 20 0 GEADLP Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000742733826 651998865 /nfs/dbraw/zinc/99/88/65/651998865.db2.gz BIRKSNUYSSHVNU-GJZGRUSLSA-N 2 2 388.965 2.024 20 0 GEADLP Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000655718617 652008282 /nfs/dbraw/zinc/00/82/82/652008282.db2.gz CTRJOCNMGBTVBS-MRXNPFEDSA-N 2 2 393.329 2.490 20 0 GEADLP C[C@H]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CS1(=O)=O ZINC000657636770 652182861 /nfs/dbraw/zinc/18/28/61/652182861.db2.gz IQKFHTAMGJRXIV-LSDHHAIUSA-N 2 2 385.961 2.147 20 0 GEADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000582010701 652431826 /nfs/dbraw/zinc/43/18/26/652431826.db2.gz AFCWGIGRYSTQSA-KRWDZBQOSA-N 2 2 398.345 2.412 20 0 GEADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000582010701 652431828 /nfs/dbraw/zinc/43/18/28/652431828.db2.gz AFCWGIGRYSTQSA-KRWDZBQOSA-N 2 2 398.345 2.412 20 0 GEADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000582183789 652439064 /nfs/dbraw/zinc/43/90/64/652439064.db2.gz ADWGYLODGVPMIF-AWEZNQCLSA-N 2 2 388.343 2.000 20 0 GEADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000582308977 652444775 /nfs/dbraw/zinc/44/47/75/652444775.db2.gz FOOXVAGQIBJDCK-IUODEOHRSA-N 2 2 380.286 2.012 20 0 GEADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000582308977 652444779 /nfs/dbraw/zinc/44/47/79/652444779.db2.gz FOOXVAGQIBJDCK-IUODEOHRSA-N 2 2 380.286 2.012 20 0 GEADLP O[C@@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662161447 652450120 /nfs/dbraw/zinc/45/01/20/652450120.db2.gz UPZNLCITDFPIEJ-JKSUJKDBSA-N 2 2 389.323 2.264 20 0 GEADLP O[C@@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662161447 652450121 /nfs/dbraw/zinc/45/01/21/652450121.db2.gz UPZNLCITDFPIEJ-JKSUJKDBSA-N 2 2 389.323 2.264 20 0 GEADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)CC2)s1 ZINC000662714140 652471139 /nfs/dbraw/zinc/47/11/39/652471139.db2.gz XRHROYRJJHLOOO-MRXNPFEDSA-N 2 2 375.460 2.497 20 0 GEADLP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3nc(N4CCOCC4)sc3=S)C2)CC1 ZINC000755779511 652476392 /nfs/dbraw/zinc/47/63/92/652476392.db2.gz JDOGMNCKXZZTBO-OAHLLOKOSA-N 2 2 383.587 2.132 20 0 GEADLP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3nc(N4CCOCC4)sc3=S)C2)CC1 ZINC000755779511 652476397 /nfs/dbraw/zinc/47/63/97/652476397.db2.gz JDOGMNCKXZZTBO-OAHLLOKOSA-N 2 2 383.587 2.132 20 0 GEADLP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccncc3Br)ccn2)CC1 ZINC000631042785 652518806 /nfs/dbraw/zinc/51/88/06/652518806.db2.gz MMPNAFSVWHNPBZ-UHFFFAOYSA-N 2 2 376.302 2.281 20 0 GEADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)n1 ZINC000665292460 652550456 /nfs/dbraw/zinc/55/04/56/652550456.db2.gz AJHGZWWDWCRWMN-WMLDXEAASA-N 2 2 393.285 2.413 20 0 GEADLP Cc1c(Br)cncc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000667641736 652616325 /nfs/dbraw/zinc/61/63/25/652616325.db2.gz BQLQGGWDAVOBCF-UHFFFAOYSA-N 2 2 395.345 2.441 20 0 GEADLP C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000634727486 652660314 /nfs/dbraw/zinc/66/03/14/652660314.db2.gz WUPRHUHALJTHFN-NWDGAFQWSA-N 2 2 386.327 2.129 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000763070285 652735662 /nfs/dbraw/zinc/73/56/62/652735662.db2.gz ZKFFBGOANCTMTJ-BRWVUGGUSA-N 2 2 386.631 2.033 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000763070285 652735671 /nfs/dbraw/zinc/73/56/71/652735671.db2.gz ZKFFBGOANCTMTJ-BRWVUGGUSA-N 2 2 386.631 2.033 20 0 GEADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cn2cc(Br)ccc2n1 ZINC000673712988 652875264 /nfs/dbraw/zinc/87/52/64/652875264.db2.gz VAAHHWRVHNMUOU-UHFFFAOYSA-N 2 2 380.334 2.166 20 0 GEADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cn2cc(Br)ccc2n1 ZINC000673712988 652875269 /nfs/dbraw/zinc/87/52/69/652875269.db2.gz VAAHHWRVHNMUOU-UHFFFAOYSA-N 2 2 380.334 2.166 20 0 GEADLP C[C@@]1(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C[NH2+]CCO1 ZINC000638292478 652885143 /nfs/dbraw/zinc/88/51/43/652885143.db2.gz GEJTZFFAUZBRFC-SFHVURJKSA-N 2 2 386.323 2.453 20 0 GEADLP Brc1cnc2c(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)cnn2c1 ZINC000638669609 652902145 /nfs/dbraw/zinc/90/21/45/652902145.db2.gz UHBICYUVWCXMDB-CYBMUJFWSA-N 2 2 394.317 2.082 20 0 GEADLP Brc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000675886568 652946343 /nfs/dbraw/zinc/94/63/43/652946343.db2.gz SODHSYUVZAVZTL-MJGOQNOKSA-N 2 2 394.357 2.433 20 0 GEADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000678081574 653125812 /nfs/dbraw/zinc/12/58/12/653125812.db2.gz VYDWFXDRJQIIQY-KRWDZBQOSA-N 2 2 396.329 2.242 20 0 GEADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000678081574 653125813 /nfs/dbraw/zinc/12/58/13/653125813.db2.gz VYDWFXDRJQIIQY-KRWDZBQOSA-N 2 2 396.329 2.242 20 0 GEADLP C[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)cn1 ZINC000641786428 653233947 /nfs/dbraw/zinc/23/39/47/653233947.db2.gz QJCUYYWKHOEPKR-WBVHZDCISA-N 2 2 397.361 2.291 20 0 GEADLP Brc1csc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000641789920 653234281 /nfs/dbraw/zinc/23/42/81/653234281.db2.gz ZEHXEADKMKLKMW-HNNXBMFYSA-N 2 2 388.375 2.397 20 0 GEADLP CN(C(=O)NCC[C@@H]1CC1(Cl)Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000856946116 653259180 /nfs/dbraw/zinc/25/91/80/653259180.db2.gz FACYZXBXTVBFJH-UKRRQHHQSA-N 2 2 377.360 2.380 20 0 GEADLP CN(C(=O)NCC[C@@H]1CC1(Cl)Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000856946116 653259183 /nfs/dbraw/zinc/25/91/83/653259183.db2.gz FACYZXBXTVBFJH-UKRRQHHQSA-N 2 2 377.360 2.380 20 0 GEADLP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Br)nc1 ZINC000810216030 653331185 /nfs/dbraw/zinc/33/11/85/653331185.db2.gz CJKJQANOTQQCNP-CYBMUJFWSA-N 2 2 383.334 2.437 20 0 GEADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCSC(F)(F)F)CC2)CC1 ZINC000817773045 653719156 /nfs/dbraw/zinc/71/91/56/653719156.db2.gz ICIVRRLINCKABL-UHFFFAOYSA-N 2 2 382.496 2.441 20 0 GEADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCSC(F)(F)F)CC2)CC1 ZINC000817773045 653719157 /nfs/dbraw/zinc/71/91/57/653719157.db2.gz ICIVRRLINCKABL-UHFFFAOYSA-N 2 2 382.496 2.441 20 0 GEADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000866714143 653814267 /nfs/dbraw/zinc/81/42/67/653814267.db2.gz HEQQJZVSGOROMP-MELADBBJSA-N 2 2 376.507 2.239 20 0 GEADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000866714143 653814268 /nfs/dbraw/zinc/81/42/68/653814268.db2.gz HEQQJZVSGOROMP-MELADBBJSA-N 2 2 376.507 2.239 20 0 GEADLP C[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)nc1 ZINC000883371560 653837581 /nfs/dbraw/zinc/83/75/81/653837581.db2.gz PHAFDKDIGPGCQH-RDJZCZTQSA-N 2 2 397.361 2.291 20 0 GEADLP C[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)nc1 ZINC000883371559 653837685 /nfs/dbraw/zinc/83/76/85/653837685.db2.gz PHAFDKDIGPGCQH-NVXWUHKLSA-N 2 2 397.361 2.291 20 0 GEADLP CC(C)OCC[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884225362 653868676 /nfs/dbraw/zinc/86/86/76/653868676.db2.gz PPWYJCPPCLYSEQ-MRXNPFEDSA-N 2 2 384.318 2.018 20 0 GEADLP [NH3+][C@@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Br)cc1 ZINC000884317279 653872003 /nfs/dbraw/zinc/87/20/03/653872003.db2.gz QGQCUJGHMXHHNF-GDBMZVCRSA-N 2 2 375.270 2.239 20 0 GEADLP CN([C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccns1 ZINC000885073535 653910488 /nfs/dbraw/zinc/91/04/88/653910488.db2.gz HDLPWPCSXWLVJJ-HZPDHXFCSA-N 2 2 386.587 2.101 20 0 GEADLP CN([C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccns1 ZINC000885073535 653910491 /nfs/dbraw/zinc/91/04/91/653910491.db2.gz HDLPWPCSXWLVJJ-HZPDHXFCSA-N 2 2 386.587 2.101 20 0 GEADLP [NH3+][C@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)c1cccc(Br)c1 ZINC000870862321 654200960 /nfs/dbraw/zinc/20/09/60/654200960.db2.gz JXHVFUZCHQTLEZ-INIZCTEOSA-N 2 2 377.286 2.341 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)[nH+]c12 ZINC000891781685 654311035 /nfs/dbraw/zinc/31/10/35/654311035.db2.gz BFOHCYRUKSHEIH-OKILXGFUSA-N 2 2 392.301 2.094 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@H]([NH3+])C[C@@H]3C)[nH+]c12 ZINC000891784454 654311512 /nfs/dbraw/zinc/31/15/12/654311512.db2.gz SVVCXEVGJAZWJL-WCQYABFASA-N 2 2 380.290 2.079 20 0 GEADLP Cn1c[nH+]cc1Cc1noc(C[C@@H]([NH3+])Cc2ccc(Br)cc2)n1 ZINC000904646760 654314272 /nfs/dbraw/zinc/31/42/72/654314272.db2.gz NYAABXRITLUOSK-ZDUSSCGKSA-N 2 2 376.258 2.269 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CC[N@H+](C)[C@@H]3C)[nH+]c12 ZINC000921938802 654345296 /nfs/dbraw/zinc/34/52/96/654345296.db2.gz JTIKKXXUWQTXHP-IUODEOHRSA-N 2 2 394.317 2.340 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3C)[nH+]c12 ZINC000921938802 654345299 /nfs/dbraw/zinc/34/52/99/654345299.db2.gz JTIKKXXUWQTXHP-IUODEOHRSA-N 2 2 394.317 2.340 20 0 GEADLP CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000854989053 654392682 /nfs/dbraw/zinc/39/26/82/654392682.db2.gz USKBGJLBWVGVOS-UHFFFAOYSA-N 2 2 380.290 2.351 20 0 GEADLP Brc1ccc(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)c(N2CCOCC2)c1 ZINC000925617774 654546957 /nfs/dbraw/zinc/54/69/57/654546957.db2.gz SERYWTLZMBLSKS-FUUSMOTLSA-N 2 2 392.341 2.372 20 0 GEADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C2 ZINC001164814338 720137674 /nfs/dbraw/zinc/13/76/74/720137674.db2.gz RUBRXAYRTVUXFO-NZQKXSOJSA-N 3 2 399.583 2.018 20 0 GEADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C2 ZINC001164814338 720137678 /nfs/dbraw/zinc/13/76/78/720137678.db2.gz RUBRXAYRTVUXFO-NZQKXSOJSA-N 3 2 399.583 2.018 20 0 GEADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164830803 720333842 /nfs/dbraw/zinc/33/38/42/720333842.db2.gz PZQHEJLHFNMKNP-OALUTQOASA-N 2 2 399.539 2.260 20 0 GEADLP Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3c3cccc(N4CC[NH+](C)CC4)[nH+]3)O2)n1 ZINC001164830094 720407033 /nfs/dbraw/zinc/40/70/33/720407033.db2.gz PRZUVHGXNQDFNC-ULQDDVLXSA-N 2 2 384.484 2.024 20 0 GEADLP CCc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C)[nH+]1 ZINC001164746573 720838282 /nfs/dbraw/zinc/83/82/82/720838282.db2.gz ORQQLQYSGPWGQI-YZGWKJHDSA-N 2 2 381.528 2.318 20 0 GEADLP CCc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C)[nH+]1 ZINC001164746573 720838284 /nfs/dbraw/zinc/83/82/84/720838284.db2.gz ORQQLQYSGPWGQI-YZGWKJHDSA-N 2 2 381.528 2.318 20 0 GEADLP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](O)c3ccccc3Br)C2)CC1 ZINC000153144135 531592459 /nfs/dbraw/zinc/59/24/59/531592459.db2.gz GXJHDZVFXNEIIP-QAPCUYQASA-N 2 2 382.346 2.194 20 0 GEADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](O)c3ccccc3Br)C2)CC1 ZINC000153144135 531592466 /nfs/dbraw/zinc/59/24/66/531592466.db2.gz GXJHDZVFXNEIIP-QAPCUYQASA-N 2 2 382.346 2.194 20 0 GEADLP C[C@@H]1C[NH+]=C(N2CC[NH+](CCC(=O)N3CCc4sccc4C3)CC2)S1 ZINC000175798280 532114782 /nfs/dbraw/zinc/11/47/82/532114782.db2.gz MGNVOMHPGPMYFU-CQSZACIVSA-N 2 2 378.567 2.132 20 0 GEADLP C[NH+]1CCC(CNC(=O)NC[C@H]2CSCCS2)([NH+]2CCCCC2)CC1 ZINC000176556719 532140494 /nfs/dbraw/zinc/14/04/94/532140494.db2.gz IQSLJURFCHKZOD-INIZCTEOSA-N 2 2 386.631 2.085 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)Nc1ccccc1Br ZINC000177374626 532169897 /nfs/dbraw/zinc/16/98/97/532169897.db2.gz WXTVSNUNWVBIKZ-UHFFFAOYSA-N 2 2 397.361 2.345 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)Nc1ccccc1Br ZINC000177374626 532169900 /nfs/dbraw/zinc/16/99/00/532169900.db2.gz WXTVSNUNWVBIKZ-UHFFFAOYSA-N 2 2 397.361 2.345 20 0 GEADLP CN(CC[N@H+](C)CC(=O)Nc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000177374626 532169901 /nfs/dbraw/zinc/16/99/01/532169901.db2.gz WXTVSNUNWVBIKZ-UHFFFAOYSA-N 2 2 397.361 2.345 20 0 GEADLP CN(CC[N@@H+](C)CC(=O)Nc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000177374626 532169904 /nfs/dbraw/zinc/16/99/04/532169904.db2.gz WXTVSNUNWVBIKZ-UHFFFAOYSA-N 2 2 397.361 2.345 20 0 GEADLP COC(=O)[C@@H](c1cccc(Br)c1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182955892 532319849 /nfs/dbraw/zinc/31/98/49/532319849.db2.gz FUTBHBDYKUBGKW-QGZVFWFLSA-N 2 2 398.345 2.233 20 0 GEADLP COC(=O)[C@@H](c1cccc(Br)c1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182955892 532319851 /nfs/dbraw/zinc/31/98/51/532319851.db2.gz FUTBHBDYKUBGKW-QGZVFWFLSA-N 2 2 398.345 2.233 20 0 GEADLP CN(C)c1cc[nH+]cc1C[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000185198210 532337173 /nfs/dbraw/zinc/33/71/73/532337173.db2.gz KKWWLBKCAOOPIQ-UHFFFAOYSA-N 2 2 377.286 2.430 20 0 GEADLP CC[N@H+](CCO)CC[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000187570680 532344801 /nfs/dbraw/zinc/34/48/01/532344801.db2.gz TUMKIEJCSSRKMI-UHFFFAOYSA-N 2 2 395.139 2.198 20 0 GEADLP CC[N@@H+](CCO)CC[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000187570680 532344802 /nfs/dbraw/zinc/34/48/02/532344802.db2.gz TUMKIEJCSSRKMI-UHFFFAOYSA-N 2 2 395.139 2.198 20 0 GEADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000647530016 532374653 /nfs/dbraw/zinc/37/46/53/532374653.db2.gz CNGSOWGRVUKQOT-CABCVRRESA-N 2 2 377.312 2.170 20 0 GEADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000647530016 532374657 /nfs/dbraw/zinc/37/46/57/532374657.db2.gz CNGSOWGRVUKQOT-CABCVRRESA-N 2 2 377.312 2.170 20 0 GEADLP CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C1CC[NH+](C)CC1 ZINC000294668272 532375177 /nfs/dbraw/zinc/37/51/77/532375177.db2.gz DFTMFENXRGFMFR-LBPRGKRZSA-N 2 2 384.318 2.146 20 0 GEADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000647529356 532375368 /nfs/dbraw/zinc/37/53/68/532375368.db2.gz MOTQXMCKMAQGGD-ZIAGYGMSSA-N 2 2 377.312 2.170 20 0 GEADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000647529356 532375373 /nfs/dbraw/zinc/37/53/73/532375373.db2.gz MOTQXMCKMAQGGD-ZIAGYGMSSA-N 2 2 377.312 2.170 20 0 GEADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)C[C@@H](C)O1 ZINC000517231327 532410392 /nfs/dbraw/zinc/41/03/92/532410392.db2.gz AEJNDHQULKYDTD-PBFPGSCMSA-N 2 2 396.329 2.490 20 0 GEADLP C[NH+](C)CCN1CC[N@H+](CCCC(=O)c2ccc(Br)cc2)CC1=O ZINC000649685147 532422578 /nfs/dbraw/zinc/42/25/78/532422578.db2.gz QAUJMMVDSINIEN-UHFFFAOYSA-N 2 2 396.329 2.118 20 0 GEADLP C[NH+](C)CCN1CC[N@@H+](CCCC(=O)c2ccc(Br)cc2)CC1=O ZINC000649685147 532422581 /nfs/dbraw/zinc/42/25/81/532422581.db2.gz QAUJMMVDSINIEN-UHFFFAOYSA-N 2 2 396.329 2.118 20 0 GEADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCn3cc(Br)cn3)c2cc1C ZINC000563011491 532494365 /nfs/dbraw/zinc/49/43/65/532494365.db2.gz OQAIFZOXBROXGS-OAHLLOKOSA-N 2 2 392.301 2.263 20 0 GEADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430611377 532502220 /nfs/dbraw/zinc/50/22/20/532502220.db2.gz NYDCNJPXAICLKU-NWDGAFQWSA-N 2 2 387.311 2.107 20 0 GEADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430611377 532502225 /nfs/dbraw/zinc/50/22/25/532502225.db2.gz NYDCNJPXAICLKU-NWDGAFQWSA-N 2 2 387.311 2.107 20 0 GEADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595021032 532540664 /nfs/dbraw/zinc/54/06/64/532540664.db2.gz WMZNDYUDFDYSKC-GDBMZVCRSA-N 2 2 385.293 2.114 20 0 GEADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595021032 532540669 /nfs/dbraw/zinc/54/06/69/532540669.db2.gz WMZNDYUDFDYSKC-GDBMZVCRSA-N 2 2 385.293 2.114 20 0 GEADLP Cc1cc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)n(-c2cccc(Br)c2)n1 ZINC000653071579 532529568 /nfs/dbraw/zinc/52/95/68/532529568.db2.gz LKRDBLIWONAWLY-CQSZACIVSA-N 2 2 380.290 2.161 20 0 GEADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Br)cnc3OC)C2)CC1 ZINC000595314139 532554909 /nfs/dbraw/zinc/55/49/09/532554909.db2.gz PZMMAVQZANIYRM-INIZCTEOSA-N 2 2 383.334 2.065 20 0 GEADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Br)cnc3OC)C2)CC1 ZINC000595314139 532554911 /nfs/dbraw/zinc/55/49/11/532554911.db2.gz PZMMAVQZANIYRM-INIZCTEOSA-N 2 2 383.334 2.065 20 0 GEADLP CN([C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cscn1 ZINC000565360770 532559379 /nfs/dbraw/zinc/55/93/79/532559379.db2.gz UYYOTLRYCQOFDM-HZPDHXFCSA-N 2 2 386.587 2.101 20 0 GEADLP CN([C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cscn1 ZINC000565360770 532559387 /nfs/dbraw/zinc/55/93/87/532559387.db2.gz UYYOTLRYCQOFDM-HZPDHXFCSA-N 2 2 386.587 2.101 20 0 GEADLP C[N@H+](C[C@H](O)CN1CC[NH+](Cc2ccc(Br)cc2)CC1)C1CC1 ZINC000565509729 532567177 /nfs/dbraw/zinc/56/71/77/532567177.db2.gz WGWIWENLRJRJJI-SFHVURJKSA-N 2 2 382.346 2.022 20 0 GEADLP C[N@@H+](C[C@H](O)CN1CC[NH+](Cc2ccc(Br)cc2)CC1)C1CC1 ZINC000565509729 532567183 /nfs/dbraw/zinc/56/71/83/532567183.db2.gz WGWIWENLRJRJJI-SFHVURJKSA-N 2 2 382.346 2.022 20 0 GEADLP C[C@@]1(C[NH+]2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)CC[NH2+]C1 ZINC000262032292 532582423 /nfs/dbraw/zinc/58/24/23/532582423.db2.gz OEMUSYCLCFGFSC-GOSISDBHSA-N 2 2 395.345 2.005 20 0 GEADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000375832174 532583089 /nfs/dbraw/zinc/58/30/89/532583089.db2.gz WLJWTFZDZAQQOX-CKEIUWERSA-N 2 2 395.349 2.440 20 0 GEADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000375832174 532583094 /nfs/dbraw/zinc/58/30/94/532583094.db2.gz WLJWTFZDZAQQOX-CKEIUWERSA-N 2 2 395.349 2.440 20 0 GEADLP C[C@@H](CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488438 532591357 /nfs/dbraw/zinc/59/13/57/532591357.db2.gz ZRTJRPOQCQJGOX-FLTUCWPJSA-N 2 2 398.345 2.237 20 0 GEADLP C[C@@H](CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488438 532591362 /nfs/dbraw/zinc/59/13/62/532591362.db2.gz ZRTJRPOQCQJGOX-FLTUCWPJSA-N 2 2 398.345 2.237 20 0 GEADLP COc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc(I)c1OC ZINC000435373380 532615277 /nfs/dbraw/zinc/61/52/77/532615277.db2.gz MXSCXXDXZAHPDS-PWSUYJOCSA-N 2 2 390.265 2.478 20 0 GEADLP COc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc(I)c1OC ZINC000435373380 532615281 /nfs/dbraw/zinc/61/52/81/532615281.db2.gz MXSCXXDXZAHPDS-PWSUYJOCSA-N 2 2 390.265 2.478 20 0 GEADLP CN1CC[NH+](CC2CC[NH+](Cc3ncc(Br)cc3F)CC2)CC1 ZINC000529566168 532609030 /nfs/dbraw/zinc/60/90/30/532609030.db2.gz AZGSNEXPRGNYJT-UHFFFAOYSA-N 2 2 385.325 2.443 20 0 GEADLP Brc1ccc(-n2cc(C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)cn2)cc1 ZINC000567159412 532643295 /nfs/dbraw/zinc/64/32/95/532643295.db2.gz YJCGNPCVADEITR-MSOLQXFVSA-N 2 2 391.313 2.491 20 0 GEADLP CC[N@H+](C)C[C@H](O)CN1CC[NH+]([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000567286118 532648426 /nfs/dbraw/zinc/64/84/26/532648426.db2.gz AWEHGDMNBGNBFN-YJBOKZPZSA-N 2 2 384.362 2.440 20 0 GEADLP CC[N@@H+](C)C[C@H](O)CN1CC[NH+]([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000567286118 532648431 /nfs/dbraw/zinc/64/84/31/532648431.db2.gz AWEHGDMNBGNBFN-YJBOKZPZSA-N 2 2 384.362 2.440 20 0 GEADLP NS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000638177562 532684178 /nfs/dbraw/zinc/68/41/78/532684178.db2.gz BYVVXUVOLYAPFD-WMLDXEAASA-N 2 2 383.945 2.436 20 0 GEADLP NS(=O)(=O)c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000638177562 532684181 /nfs/dbraw/zinc/68/41/81/532684181.db2.gz BYVVXUVOLYAPFD-WMLDXEAASA-N 2 2 383.945 2.436 20 0 GEADLP NS(=O)(=O)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000638177562 532684187 /nfs/dbraw/zinc/68/41/87/532684187.db2.gz BYVVXUVOLYAPFD-WMLDXEAASA-N 2 2 383.945 2.436 20 0 GEADLP NS(=O)(=O)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000638177562 532684193 /nfs/dbraw/zinc/68/41/93/532684193.db2.gz BYVVXUVOLYAPFD-WMLDXEAASA-N 2 2 383.945 2.436 20 0 GEADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnn2cc(Br)cnc12 ZINC000638180329 532685018 /nfs/dbraw/zinc/68/50/18/532685018.db2.gz KAFULWBPMMMRAM-BZUAXINKSA-N 2 2 394.317 2.175 20 0 GEADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cnn2cc(Br)cnc12 ZINC000638180329 532685023 /nfs/dbraw/zinc/68/50/23/532685023.db2.gz KAFULWBPMMMRAM-BZUAXINKSA-N 2 2 394.317 2.175 20 0 GEADLP C[N@@H+]1CCN(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)[C@H](C[NH3+])C1 ZINC000666684500 532700946 /nfs/dbraw/zinc/70/09/46/532700946.db2.gz RRCRIQGGKYQIHU-CYBMUJFWSA-N 2 2 379.917 2.494 20 0 GEADLP C[N@H+]1CCN(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)[C@H](C[NH3+])C1 ZINC000666684500 532700954 /nfs/dbraw/zinc/70/09/54/532700954.db2.gz RRCRIQGGKYQIHU-CYBMUJFWSA-N 2 2 379.917 2.494 20 0 GEADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cn3cc(Br)ccc3n1)CCO2 ZINC000646104046 532723183 /nfs/dbraw/zinc/72/31/83/532723183.db2.gz YBOCORDQODWQDQ-UHFFFAOYSA-N 2 2 379.302 2.393 20 0 GEADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cn3cc(Br)ccc3n1)CCO2 ZINC000646104046 532723188 /nfs/dbraw/zinc/72/31/88/532723188.db2.gz YBOCORDQODWQDQ-UHFFFAOYSA-N 2 2 379.302 2.393 20 0 GEADLP C[N@@H+]1CCN(C(=O)COc2ccc3cc(Br)ccc3c2)[C@@H](C[NH3+])C1 ZINC000576157933 532724467 /nfs/dbraw/zinc/72/44/67/532724467.db2.gz XKLYLBPSYZUVOH-INIZCTEOSA-N 2 2 392.297 2.082 20 0 GEADLP C[N@H+]1CCN(C(=O)COc2ccc3cc(Br)ccc3c2)[C@@H](C[NH3+])C1 ZINC000576157933 532724472 /nfs/dbraw/zinc/72/44/72/532724472.db2.gz XKLYLBPSYZUVOH-INIZCTEOSA-N 2 2 392.297 2.082 20 0 GEADLP CC(=O)N1CC[NH+](CCNc2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000443517514 532748099 /nfs/dbraw/zinc/74/80/99/532748099.db2.gz QFDHPOVMMYJXQW-UHFFFAOYSA-N 2 2 395.276 2.134 20 0 GEADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000540319657 532736338 /nfs/dbraw/zinc/73/63/38/532736338.db2.gz DXKFCLTUESXFPJ-UHFFFAOYSA-N 2 2 376.258 2.176 20 0 GEADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000540319657 532736344 /nfs/dbraw/zinc/73/63/44/532736344.db2.gz DXKFCLTUESXFPJ-UHFFFAOYSA-N 2 2 376.258 2.176 20 0 GEADLP Cc1cc(Br)cn2c(CN3CC[NH+](CC(C)(C)O)CC3)c[nH+]c12 ZINC000541534178 532754537 /nfs/dbraw/zinc/75/45/37/532754537.db2.gz MMKDQPQXNSZTBT-UHFFFAOYSA-N 2 2 381.318 2.294 20 0 GEADLP O=C(CC[NH2+][C@H]1CCC[N@@H+](CCCO)C1)Nc1cccc(Br)c1 ZINC000581370013 532755086 /nfs/dbraw/zinc/75/50/86/532755086.db2.gz FLKZXEBXZKIVKS-INIZCTEOSA-N 2 2 384.318 2.214 20 0 GEADLP O=C(CC[NH2+][C@H]1CCC[N@H+](CCCO)C1)Nc1cccc(Br)c1 ZINC000581370013 532755092 /nfs/dbraw/zinc/75/50/92/532755092.db2.gz FLKZXEBXZKIVKS-INIZCTEOSA-N 2 2 384.318 2.214 20 0 GEADLP C[NH+]1CCN(S(=O)(=O)c2ccccc2CNc2cc[nH+]cc2Cl)CC1 ZINC000301495397 532751999 /nfs/dbraw/zinc/75/19/99/532751999.db2.gz BJSDZWRUCGGMNM-UHFFFAOYSA-N 2 2 380.901 2.283 20 0 GEADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000581006825 532753029 /nfs/dbraw/zinc/75/30/29/532753029.db2.gz RTNIARMXQYIELK-UONOGXRCSA-N 2 2 377.312 2.434 20 0 GEADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000581006825 532753033 /nfs/dbraw/zinc/75/30/33/532753033.db2.gz RTNIARMXQYIELK-UONOGXRCSA-N 2 2 377.312 2.434 20 0 GEADLP Cc1[nH+]cc(CNc2cc(Br)cnc2N2CC[NH+](C)CC2)n1C ZINC000581022703 532753261 /nfs/dbraw/zinc/75/32/61/532753261.db2.gz FOUVZDPGVCOEMC-UHFFFAOYSA-N 2 2 379.306 2.250 20 0 GEADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000581006826 532753280 /nfs/dbraw/zinc/75/32/80/532753280.db2.gz RTNIARMXQYIELK-ZIAGYGMSSA-N 2 2 377.312 2.434 20 0 GEADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000581006826 532753281 /nfs/dbraw/zinc/75/32/81/532753281.db2.gz RTNIARMXQYIELK-ZIAGYGMSSA-N 2 2 377.312 2.434 20 0 GEADLP C[N@@H+]1CCN(C(=O)NCC(C)(C)c2cccc(Br)c2)[C@@H](C[NH3+])C1 ZINC000581001035 532753361 /nfs/dbraw/zinc/75/33/61/532753361.db2.gz WTCBJWZVFQFKCR-HNNXBMFYSA-N 2 2 383.334 2.011 20 0 GEADLP C[N@H+]1CCN(C(=O)NCC(C)(C)c2cccc(Br)c2)[C@@H](C[NH3+])C1 ZINC000581001035 532753363 /nfs/dbraw/zinc/75/33/63/532753363.db2.gz WTCBJWZVFQFKCR-HNNXBMFYSA-N 2 2 383.334 2.011 20 0 GEADLP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccccc1Br ZINC000512241013 532776618 /nfs/dbraw/zinc/77/66/18/532776618.db2.gz JDIIJPNTLLNZMH-MRXNPFEDSA-N 2 2 384.362 2.490 20 0 GEADLP C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)C[N@@H+]1C1CC1 ZINC000512879791 532778920 /nfs/dbraw/zinc/77/89/20/532778920.db2.gz JWXUHCCDGYVDTE-NEPJUHHUSA-N 2 2 392.352 2.487 20 0 GEADLP C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)C[N@H+]1C1CC1 ZINC000512879791 532778924 /nfs/dbraw/zinc/77/89/24/532778924.db2.gz JWXUHCCDGYVDTE-NEPJUHHUSA-N 2 2 392.352 2.487 20 0 GEADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000320727073 532787270 /nfs/dbraw/zinc/78/72/70/532787270.db2.gz MVINVJSYKHPNMX-UHFFFAOYSA-N 2 2 379.719 2.422 20 0 GEADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000320727073 532787273 /nfs/dbraw/zinc/78/72/73/532787273.db2.gz MVINVJSYKHPNMX-UHFFFAOYSA-N 2 2 379.719 2.422 20 0 GEADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCSC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000556665060 532811299 /nfs/dbraw/zinc/81/12/99/532811299.db2.gz UZOIRZZFCLCPQN-OFQRWUPVSA-N 2 2 375.460 2.436 20 0 GEADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCSC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000556665060 532811301 /nfs/dbraw/zinc/81/13/01/532811301.db2.gz UZOIRZZFCLCPQN-OFQRWUPVSA-N 2 2 375.460 2.436 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N(C)CC[NH+](C)C)[nH+]c12 ZINC000273577420 532826993 /nfs/dbraw/zinc/82/69/93/532826993.db2.gz NANZFCMZEHUUQN-UHFFFAOYSA-N 2 2 382.306 2.151 20 0 GEADLP COC[C@]1(C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CCC[NH2+]1 ZINC000414948568 532836184 /nfs/dbraw/zinc/83/61/84/532836184.db2.gz XQXUZXOTQKEQEE-QGZVFWFLSA-N 2 2 385.302 2.469 20 0 GEADLP COc1cc(C[NH2+][C@H](C[NH3+])C2CC2)cc(I)c1OC ZINC000414793030 532835230 /nfs/dbraw/zinc/83/52/30/532835230.db2.gz CYCNSQMWXSYQSY-GFCCVEGCSA-N 2 2 376.238 2.135 20 0 GEADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414971182 532836766 /nfs/dbraw/zinc/83/67/66/532836766.db2.gz HUNMRZHKLHHZSL-QGZVFWFLSA-N 2 2 392.345 2.245 20 0 GEADLP O=C1N[C@H]2C[N@H+](Cc3ccc(Br)cc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415132549 532838839 /nfs/dbraw/zinc/83/88/39/532838839.db2.gz BAQLYLANKJYTGU-IRXDYDNUSA-N 2 2 393.329 2.169 20 0 GEADLP O=C1N[C@H]2C[N@@H+](Cc3ccc(Br)cc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415132549 532838842 /nfs/dbraw/zinc/83/88/42/532838842.db2.gz BAQLYLANKJYTGU-IRXDYDNUSA-N 2 2 393.329 2.169 20 0 GEADLP O=C1N[C@@H]2C[N@H+](Cc3cc(Br)cs3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415141402 532839067 /nfs/dbraw/zinc/83/90/67/532839067.db2.gz PDBHPSSMAOTNCF-HUUCEWRRSA-N 2 2 399.358 2.231 20 0 GEADLP O=C1N[C@@H]2C[N@@H+](Cc3cc(Br)cs3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415141402 532839068 /nfs/dbraw/zinc/83/90/68/532839068.db2.gz PDBHPSSMAOTNCF-HUUCEWRRSA-N 2 2 399.358 2.231 20 0 GEADLP CN(C)c1cc(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)[nH+]cc1Br ZINC000333728169 532872598 /nfs/dbraw/zinc/87/25/98/532872598.db2.gz WEHXMYBZCNNQPI-MRXNPFEDSA-N 2 2 382.306 2.470 20 0 GEADLP CN(C)c1cc(NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)[nH+]cc1Br ZINC000333728169 532872601 /nfs/dbraw/zinc/87/26/01/532872601.db2.gz WEHXMYBZCNNQPI-MRXNPFEDSA-N 2 2 382.306 2.470 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)[nH+]c12 ZINC000333855137 532873826 /nfs/dbraw/zinc/87/38/26/532873826.db2.gz YCCAOILMTBKNLG-TUKIKUTGSA-N 2 2 392.301 2.284 20 0 GEADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CCOC[C@H]3[C@H](C)[NH3+])[nH+]c12 ZINC000423039853 532892706 /nfs/dbraw/zinc/89/27/06/532892706.db2.gz RWKMTCVVJBDEFO-VBNZEHGJSA-N 3 2 381.318 2.290 20 0 GEADLP C[C@@H]1C[N@H+](C[C@H](O)c2cccc(Br)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367031948 532922333 /nfs/dbraw/zinc/92/23/33/532922333.db2.gz XUYKMWOVTKPKRT-MNEFBYGVSA-N 2 2 396.373 2.440 20 0 GEADLP C[C@@H]1C[N@@H+](C[C@H](O)c2cccc(Br)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367031948 532922335 /nfs/dbraw/zinc/92/23/35/532922335.db2.gz XUYKMWOVTKPKRT-MNEFBYGVSA-N 2 2 396.373 2.440 20 0 GEADLP CC(C)[C@H](CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000294033392 532934995 /nfs/dbraw/zinc/93/49/95/532934995.db2.gz HVPYCXQKWCMFCS-WMZOPIPTSA-N 2 2 398.345 2.096 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3ccc(Br)s3)C2)CC1 ZINC000369334232 532938535 /nfs/dbraw/zinc/93/85/35/532938535.db2.gz DIKNGGXMFNBQOJ-GFCCVEGCSA-N 2 2 386.359 2.338 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3ccc(Br)s3)C2)CC1 ZINC000369334232 532938536 /nfs/dbraw/zinc/93/85/36/532938536.db2.gz DIKNGGXMFNBQOJ-GFCCVEGCSA-N 2 2 386.359 2.338 20 0 GEADLP COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000736900216 598862041 /nfs/dbraw/zinc/86/20/41/598862041.db2.gz DEDMDQZUJTWODC-GOSISDBHSA-N 2 2 386.500 2.133 20 0 GEADLP COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000736900216 598862042 /nfs/dbraw/zinc/86/20/42/598862042.db2.gz DEDMDQZUJTWODC-GOSISDBHSA-N 2 2 386.500 2.133 20 0 GEADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)c2c1 ZINC000737248858 599320425 /nfs/dbraw/zinc/32/04/25/599320425.db2.gz NIRITVHAGGOCBT-QZTJIDSGSA-N 2 2 393.495 2.067 20 0 GEADLP COc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1-c1nn[nH]n1 ZINC000821818237 599401403 /nfs/dbraw/zinc/40/14/03/599401403.db2.gz LTRUDQXOFMHVQQ-UHFFFAOYSA-N 2 2 375.436 2.410 20 0 GEADLP COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1-c1nn[nH]n1 ZINC000821817894 599415226 /nfs/dbraw/zinc/41/52/26/599415226.db2.gz AQILFRQZJIOMHA-UHFFFAOYSA-N 2 2 379.399 2.490 20 0 GEADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1-c1nn[nH]n1 ZINC000821809776 599442112 /nfs/dbraw/zinc/44/21/12/599442112.db2.gz RTVNAOFFKYGLRK-KXBFYZLASA-N 2 2 393.495 2.271 20 0 GEADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1-c1nn[nH]n1 ZINC000821809776 599442113 /nfs/dbraw/zinc/44/21/13/599442113.db2.gz RTVNAOFFKYGLRK-KXBFYZLASA-N 2 2 393.495 2.271 20 0 GEADLP CC[C@@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc32)CC[N@@H+]1C[C@@H](C)O ZINC000820993930 599530945 /nfs/dbraw/zinc/53/09/45/599530945.db2.gz CDDHAVXPIJBTTE-HZPDHXFCSA-N 2 2 395.511 2.313 20 0 GEADLP CC[C@@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc32)CC[N@H+]1C[C@@H](C)O ZINC000820993930 599530947 /nfs/dbraw/zinc/53/09/47/599530947.db2.gz CDDHAVXPIJBTTE-HZPDHXFCSA-N 2 2 395.511 2.313 20 0 GEADLP O=C(CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407584 607478583 /nfs/dbraw/zinc/47/85/83/607478583.db2.gz TTWPXNZTZFXSEV-HNAYVOBHSA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407584 607478584 /nfs/dbraw/zinc/47/85/84/607478584.db2.gz TTWPXNZTZFXSEV-HNAYVOBHSA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407584 607478586 /nfs/dbraw/zinc/47/85/86/607478586.db2.gz TTWPXNZTZFXSEV-HNAYVOBHSA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407584 607478589 /nfs/dbraw/zinc/47/85/89/607478589.db2.gz TTWPXNZTZFXSEV-HNAYVOBHSA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407293 607478636 /nfs/dbraw/zinc/47/86/36/607478636.db2.gz HUBHYVSALVJKJY-QFBILLFUSA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407293 607478639 /nfs/dbraw/zinc/47/86/39/607478639.db2.gz HUBHYVSALVJKJY-QFBILLFUSA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407293 607478640 /nfs/dbraw/zinc/47/86/40/607478640.db2.gz HUBHYVSALVJKJY-QFBILLFUSA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407293 607478642 /nfs/dbraw/zinc/47/86/42/607478642.db2.gz HUBHYVSALVJKJY-QFBILLFUSA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407297 607478665 /nfs/dbraw/zinc/47/86/65/607478665.db2.gz HUVLQIZBMBYHPX-QFBILLFUSA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407297 607478666 /nfs/dbraw/zinc/47/86/66/607478666.db2.gz HUVLQIZBMBYHPX-QFBILLFUSA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407297 607478667 /nfs/dbraw/zinc/47/86/67/607478667.db2.gz HUVLQIZBMBYHPX-QFBILLFUSA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407297 607478668 /nfs/dbraw/zinc/47/86/68/607478668.db2.gz HUVLQIZBMBYHPX-QFBILLFUSA-N 2 2 395.511 2.144 20 0 GEADLP Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c(-c2nn[nH]n2)c1C ZINC000826341784 607639235 /nfs/dbraw/zinc/63/92/35/607639235.db2.gz PWDYBICJIYTRHH-IUODEOHRSA-N 2 2 398.471 2.073 20 0 GEADLP Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c(-c2nn[nH]n2)c1C ZINC000826341784 607639237 /nfs/dbraw/zinc/63/92/37/607639237.db2.gz PWDYBICJIYTRHH-IUODEOHRSA-N 2 2 398.471 2.073 20 0 GEADLP c1sc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1-c1nn[nH]n1 ZINC000823786973 606210992 /nfs/dbraw/zinc/21/09/92/606210992.db2.gz GBIPCXLHFXDRSB-UHFFFAOYSA-N 2 2 383.525 2.230 20 0 GEADLP C[C@@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C[C@H]1[NH+](C)C ZINC000820767080 606803652 /nfs/dbraw/zinc/80/36/52/606803652.db2.gz FWFCRTUZDJHWGH-MEBBXXQBSA-N 2 2 389.410 2.403 20 0 GEADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824579470 609337135 /nfs/dbraw/zinc/33/71/35/609337135.db2.gz ZNBORXHKXZQDFS-VFNWGFHPSA-N 2 2 396.470 2.293 20 0 GEADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824579470 609337136 /nfs/dbraw/zinc/33/71/36/609337136.db2.gz ZNBORXHKXZQDFS-VFNWGFHPSA-N 2 2 396.470 2.293 20 0 GEADLP C[C@@H]([NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000824564817 609441355 /nfs/dbraw/zinc/44/13/55/609441355.db2.gz WEPLKJVFQVNXAL-CQSZACIVSA-N 2 2 388.435 2.342 20 0 GEADLP C[NH+](C)Cc1cnc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)s1 ZINC000512143480 650545794 /nfs/dbraw/zinc/54/57/94/650545794.db2.gz GDPRCTXDQUDNHT-UHFFFAOYSA-N 2 2 397.342 2.487 20 0 GEADLP Cc1cc(N2CC[C@H]([NH2+][C@@H](C)C[C@@H]3COCC[NH2+]3)C2=O)ccc1Br ZINC000521423707 650617409 /nfs/dbraw/zinc/61/74/09/650617409.db2.gz IPZTWPKFRXVEMI-VBQJREDUSA-N 2 2 396.329 2.219 20 0 GEADLP Brc1cc2cccnc2c(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000489955781 650765601 /nfs/dbraw/zinc/76/56/01/650765601.db2.gz LPTUJQUNZLNTLX-QGZVFWFLSA-N 2 2 375.314 2.477 20 0 GEADLP C[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CCSCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000535505347 650788118 /nfs/dbraw/zinc/78/81/18/650788118.db2.gz ZTQYLKIHMMKXQP-IRXDYDNUSA-N 2 2 382.961 2.433 20 0 GEADLP C[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CCSCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000535505347 650788123 /nfs/dbraw/zinc/78/81/23/650788123.db2.gz ZTQYLKIHMMKXQP-IRXDYDNUSA-N 2 2 382.961 2.433 20 0 GEADLP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(I)c1 ZINC000070149833 643049279 /nfs/dbraw/zinc/04/92/79/643049279.db2.gz SDWKKUDYRUDELC-CQSZACIVSA-N 2 2 387.265 2.433 20 0 GEADLP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(I)c1 ZINC000070149833 643049280 /nfs/dbraw/zinc/04/92/80/643049280.db2.gz SDWKKUDYRUDELC-CQSZACIVSA-N 2 2 387.265 2.433 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(Br)nc1 ZINC000166365849 644274923 /nfs/dbraw/zinc/27/49/23/644274923.db2.gz UFMGEYHEMCPRPZ-UHFFFAOYSA-N 2 2 384.322 2.334 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(Br)nc1 ZINC000166365849 644274929 /nfs/dbraw/zinc/27/49/29/644274929.db2.gz UFMGEYHEMCPRPZ-UHFFFAOYSA-N 2 2 384.322 2.334 20 0 GEADLP Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000544109928 650934301 /nfs/dbraw/zinc/93/43/01/650934301.db2.gz LPCOTCGYHYBZJT-UHFFFAOYSA-N 2 2 376.507 2.310 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ncc(Br)s1 ZINC000192420839 645204494 /nfs/dbraw/zinc/20/44/94/645204494.db2.gz MLRJKULQQMJXPL-UHFFFAOYSA-N 2 2 375.336 2.004 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ncc(Br)s1 ZINC000192420839 645204498 /nfs/dbraw/zinc/20/44/98/645204498.db2.gz MLRJKULQQMJXPL-UHFFFAOYSA-N 2 2 375.336 2.004 20 0 GEADLP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1Br ZINC000268944100 646008462 /nfs/dbraw/zinc/00/84/62/646008462.db2.gz TXWFHDUNLLRFAF-SWLSCSKDSA-N 2 2 384.318 2.448 20 0 GEADLP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cc1Br ZINC000268944100 646008467 /nfs/dbraw/zinc/00/84/67/646008467.db2.gz TXWFHDUNLLRFAF-SWLSCSKDSA-N 2 2 384.318 2.448 20 0 GEADLP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1Br ZINC000268944101 646009004 /nfs/dbraw/zinc/00/90/04/646009004.db2.gz TXWFHDUNLLRFAF-WFASDCNBSA-N 2 2 384.318 2.448 20 0 GEADLP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1Br ZINC000268944101 646009008 /nfs/dbraw/zinc/00/90/08/646009008.db2.gz TXWFHDUNLLRFAF-WFASDCNBSA-N 2 2 384.318 2.448 20 0 GEADLP CC(C)[C@H](C[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O)N1CC[NH+](C)CC1 ZINC000273363420 646312945 /nfs/dbraw/zinc/31/29/45/646312945.db2.gz BGXUSWVXASCARC-KRWDZBQOSA-N 2 2 387.977 2.105 20 0 GEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280756385 646713153 /nfs/dbraw/zinc/71/31/53/646713153.db2.gz QGTUPERQPVBDLX-QWRGUYRKSA-N 2 2 387.303 2.032 20 0 GEADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280835547 646722915 /nfs/dbraw/zinc/72/29/15/646722915.db2.gz YFCHMUGDVWRHSC-LBPRGKRZSA-N 2 2 392.363 2.477 20 0 GEADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280835547 646722917 /nfs/dbraw/zinc/72/29/17/646722917.db2.gz YFCHMUGDVWRHSC-LBPRGKRZSA-N 2 2 392.363 2.477 20 0 GEADLP O[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)COc1c(Cl)cccc1Cl ZINC000325857362 647303885 /nfs/dbraw/zinc/30/38/85/647303885.db2.gz WYDPWRHPAMTZEJ-MGPQQGTHSA-N 2 2 375.296 2.186 20 0 GEADLP O[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)COc1c(Cl)cccc1Cl ZINC000325857362 647303888 /nfs/dbraw/zinc/30/38/88/647303888.db2.gz WYDPWRHPAMTZEJ-MGPQQGTHSA-N 2 2 375.296 2.186 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1nscc1Br ZINC000404778527 647907961 /nfs/dbraw/zinc/90/79/61/647907961.db2.gz VAXKCVISSTXADH-UHFFFAOYSA-N 2 2 375.336 2.004 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1nscc1Br ZINC000404778527 647907964 /nfs/dbraw/zinc/90/79/64/647907964.db2.gz VAXKCVISSTXADH-UHFFFAOYSA-N 2 2 375.336 2.004 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@](C)(C[NH3+])C3)[nH+]c12 ZINC000418015481 648269971 /nfs/dbraw/zinc/26/99/71/648269971.db2.gz DRBCCTGJWXLUOK-QGZVFWFLSA-N 2 2 394.317 2.328 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)[nH+]c12 ZINC000418026592 648272130 /nfs/dbraw/zinc/27/21/30/648272130.db2.gz WFSAQQJXOULTJU-SWLSCSKDSA-N 2 2 394.317 2.326 20 0 GEADLP Brc1ccc(N2CC[C@H]([NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000422702820 648573817 /nfs/dbraw/zinc/57/38/17/648573817.db2.gz FZEXUYPMIMMYNX-SZMVWBNQSA-N 2 2 380.330 2.384 20 0 GEADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422768566 648575278 /nfs/dbraw/zinc/57/52/78/648575278.db2.gz UTHBUMGYYQYPAY-KBXCAEBGSA-N 2 2 381.929 2.166 20 0 GEADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000422908521 648576838 /nfs/dbraw/zinc/57/68/38/648576838.db2.gz MUDPMNVSSLCABQ-GOEBONIOSA-N 2 2 398.345 2.154 20 0 GEADLP [NH3+][C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)c2ccccc21 ZINC000423112693 648581454 /nfs/dbraw/zinc/58/14/54/648581454.db2.gz JZVNCRGCTKPAGZ-HZPDHXFCSA-N 2 2 383.876 2.492 20 0 GEADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCOc1ccc(I)cc1 ZINC000423117104 648582523 /nfs/dbraw/zinc/58/25/23/648582523.db2.gz SZNQRKIBCOHCHB-TZMCWYRMSA-N 2 2 390.265 2.027 20 0 GEADLP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423163992 648585678 /nfs/dbraw/zinc/58/56/78/648585678.db2.gz RZMPBJZCTNAOBL-JVPBZIDWSA-N 2 2 397.357 2.265 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=S)NCCSc3ccccc3)C2)CC1 ZINC000732719821 651671740 /nfs/dbraw/zinc/67/17/40/651671740.db2.gz AKXCWMGVHORQQW-MRXNPFEDSA-N 2 2 378.611 2.411 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=S)NCCSc3ccccc3)C2)CC1 ZINC000732719821 651671746 /nfs/dbraw/zinc/67/17/46/651671746.db2.gz AKXCWMGVHORQQW-MRXNPFEDSA-N 2 2 378.611 2.411 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)/C=C\c3ccc(Br)o3)C2)CC1 ZINC000732781751 651673913 /nfs/dbraw/zinc/67/39/13/651673913.db2.gz STVDDRFMOPDZHC-HSBHDXMMSA-N 2 2 382.302 2.340 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)/C=C\c3ccc(Br)o3)C2)CC1 ZINC000732781751 651673919 /nfs/dbraw/zinc/67/39/19/651673919.db2.gz STVDDRFMOPDZHC-HSBHDXMMSA-N 2 2 382.302 2.340 20 0 GEADLP O=S(=O)(c1ccc(Cl)s1)N1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647872250 651763831 /nfs/dbraw/zinc/76/38/31/651763831.db2.gz MSGMRKJUVCITOR-UHFFFAOYSA-N 2 2 391.990 2.488 20 0 GEADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000746364240 652101498 /nfs/dbraw/zinc/10/14/98/652101498.db2.gz QVQIRCOCGYJRIP-GJZGRUSLSA-N 2 2 388.965 2.026 20 0 GEADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000746364240 652101507 /nfs/dbraw/zinc/10/15/07/652101507.db2.gz QVQIRCOCGYJRIP-GJZGRUSLSA-N 2 2 388.965 2.026 20 0 GEADLP Brc1ccc2ncc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)n2c1 ZINC000657750977 652200728 /nfs/dbraw/zinc/20/07/28/652200728.db2.gz MGPGNYXANMLOIO-HNNXBMFYSA-N 2 2 379.302 2.440 20 0 GEADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000624084908 652269276 /nfs/dbraw/zinc/26/92/76/652269276.db2.gz XDNGBVMDWAQHFW-SJORKVTESA-N 2 2 380.330 2.236 20 0 GEADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000624084908 652269281 /nfs/dbraw/zinc/26/92/81/652269281.db2.gz XDNGBVMDWAQHFW-SJORKVTESA-N 2 2 380.330 2.236 20 0 GEADLP Cc1c(Cl)cc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1Cl ZINC000658427811 652270469 /nfs/dbraw/zinc/27/04/69/652270469.db2.gz QITXYNLOZAFVAW-UHFFFAOYSA-N 2 2 389.327 2.240 20 0 GEADLP Cc1c(Cl)cc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1Cl ZINC000658427811 652270479 /nfs/dbraw/zinc/27/04/79/652270479.db2.gz QITXYNLOZAFVAW-UHFFFAOYSA-N 2 2 389.327 2.240 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(O)cc(Br)c3)C2)CC1 ZINC000625521758 652352082 /nfs/dbraw/zinc/35/20/82/652352082.db2.gz HPSRVUNQUGLRDN-CQSZACIVSA-N 2 2 382.302 2.053 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(O)cc(Br)c3)C2)CC1 ZINC000625521758 652352087 /nfs/dbraw/zinc/35/20/87/652352087.db2.gz HPSRVUNQUGLRDN-CQSZACIVSA-N 2 2 382.302 2.053 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CC[C@@H](C)[NH2+]C3)[nH+]c12 ZINC000627012754 652411951 /nfs/dbraw/zinc/41/19/51/652411951.db2.gz DWKFTNZDTGTXRU-TZMCWYRMSA-N 2 2 394.317 2.387 20 0 GEADLP [NH3+][C@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccccc1Br ZINC000662377920 652458045 /nfs/dbraw/zinc/45/80/45/652458045.db2.gz SIQJSMTXMZJEFN-INIZCTEOSA-N 2 2 377.286 2.341 20 0 GEADLP C[NH2+][C@@H](C(=O)N(C)CCCN1CC[NH+](C)CC1)c1cccc(Cl)c1Cl ZINC000662470098 652463109 /nfs/dbraw/zinc/46/31/09/652463109.db2.gz CMAZVJOBUFCHAT-QGZVFWFLSA-N 2 2 387.355 2.350 20 0 GEADLP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000662561262 652468127 /nfs/dbraw/zinc/46/81/27/652468127.db2.gz ODXOMEBDAZXMJI-GFCCVEGCSA-N 2 2 393.310 2.296 20 0 GEADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000755749883 652475233 /nfs/dbraw/zinc/47/52/33/652475233.db2.gz KXCYFKAWYARZAR-ZDUSSCGKSA-N 2 2 379.302 2.390 20 0 GEADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000755749883 652475237 /nfs/dbraw/zinc/47/52/37/652475237.db2.gz KXCYFKAWYARZAR-ZDUSSCGKSA-N 2 2 379.302 2.390 20 0 GEADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000755749883 652475241 /nfs/dbraw/zinc/47/52/41/652475241.db2.gz KXCYFKAWYARZAR-ZDUSSCGKSA-N 2 2 379.302 2.390 20 0 GEADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000755749883 652475243 /nfs/dbraw/zinc/47/52/43/652475243.db2.gz KXCYFKAWYARZAR-ZDUSSCGKSA-N 2 2 379.302 2.390 20 0 GEADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000755787553 652476526 /nfs/dbraw/zinc/47/65/26/652476526.db2.gz APFGHLWSONXTLZ-LBPRGKRZSA-N 2 2 388.269 2.340 20 0 GEADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000755787553 652476529 /nfs/dbraw/zinc/47/65/29/652476529.db2.gz APFGHLWSONXTLZ-LBPRGKRZSA-N 2 2 388.269 2.340 20 0 GEADLP C[NH2+]CCOCC[N@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000629571321 652493894 /nfs/dbraw/zinc/49/38/94/652493894.db2.gz LHMXIBLCRQCYQH-UHFFFAOYSA-N 2 2 375.292 2.228 20 0 GEADLP C[NH2+]CCOCC[N@@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000629571321 652493899 /nfs/dbraw/zinc/49/38/99/652493899.db2.gz LHMXIBLCRQCYQH-UHFFFAOYSA-N 2 2 375.292 2.228 20 0 GEADLP C[C@@H]1C[N@H+](C[C@H](O)c2ccccc2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000764463925 652801484 /nfs/dbraw/zinc/80/14/84/652801484.db2.gz AGCBOGQBGACMFH-MNEFBYGVSA-N 2 2 396.373 2.440 20 0 GEADLP C[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000764463925 652801486 /nfs/dbraw/zinc/80/14/86/652801486.db2.gz AGCBOGQBGACMFH-MNEFBYGVSA-N 2 2 396.373 2.440 20 0 GEADLP COc1nsc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1Br ZINC000639170062 652924932 /nfs/dbraw/zinc/92/49/32/652924932.db2.gz PFMDMQDIARODGB-UHFFFAOYSA-N 2 2 391.379 2.372 20 0 GEADLP COc1nsc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1Br ZINC000639170062 652924939 /nfs/dbraw/zinc/92/49/39/652924939.db2.gz PFMDMQDIARODGB-UHFFFAOYSA-N 2 2 391.379 2.372 20 0 GEADLP CS[C@@H]1CN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000602135645 653149445 /nfs/dbraw/zinc/14/94/45/653149445.db2.gz LICNNSJJBBZEFU-BFHYXJOUSA-N 2 2 376.448 2.415 20 0 GEADLP CN(C(=O)c1ncsc1Br)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000807592483 653199725 /nfs/dbraw/zinc/19/97/25/653199725.db2.gz CXVYQLMMFNTGJN-GFCCVEGCSA-N 2 2 387.347 2.146 20 0 GEADLP CN(C(=O)c1ncsc1Br)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000807592483 653199740 /nfs/dbraw/zinc/19/97/40/653199740.db2.gz CXVYQLMMFNTGJN-GFCCVEGCSA-N 2 2 387.347 2.146 20 0 GEADLP Cn1cc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)c(Br)n1 ZINC000858121795 653349676 /nfs/dbraw/zinc/34/96/76/653349676.db2.gz HDNYFSAWOSKLSJ-QGZVFWFLSA-N 2 2 392.345 2.261 20 0 GEADLP C[NH+]1CCN(C2CC[NH+](C[C@@H](O)c3cccc(Br)c3)CC2)CC1 ZINC000879591116 653673776 /nfs/dbraw/zinc/67/37/76/653673776.db2.gz JTOSYOQBMMOIBB-GOSISDBHSA-N 2 2 382.346 2.194 20 0 GEADLP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCO[C@H](c3ccccc3Br)C2)C1 ZINC000841022478 653705331 /nfs/dbraw/zinc/70/53/31/653705331.db2.gz NMKQCGRZKDHGEO-YOEHRIQHSA-N 2 2 396.329 2.020 20 0 GEADLP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCO[C@H](c3ccccc3Br)C2)C1 ZINC000841022478 653705333 /nfs/dbraw/zinc/70/53/33/653705333.db2.gz NMKQCGRZKDHGEO-YOEHRIQHSA-N 2 2 396.329 2.020 20 0 GEADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC[C@@H]3CSCCS3)CC2)CC1 ZINC000817776646 653719284 /nfs/dbraw/zinc/71/92/84/653719284.db2.gz AVQSMTIJBZISBT-QGZVFWFLSA-N 2 2 386.631 2.037 20 0 GEADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC[C@@H]3CSCCS3)CC2)CC1 ZINC000817776646 653719287 /nfs/dbraw/zinc/71/92/87/653719287.db2.gz AVQSMTIJBZISBT-QGZVFWFLSA-N 2 2 386.631 2.037 20 0 GEADLP CC(C)n1ncc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000865751101 653774028 /nfs/dbraw/zinc/77/40/28/653774028.db2.gz VERQHROPORIURF-ZDUSSCGKSA-N 2 2 398.349 2.125 20 0 GEADLP CC(C)n1ncc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000865751101 653774029 /nfs/dbraw/zinc/77/40/29/653774029.db2.gz VERQHROPORIURF-ZDUSSCGKSA-N 2 2 398.349 2.125 20 0 GEADLP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2nc3ccccn3c2Br)CC1 ZINC000843125215 653780290 /nfs/dbraw/zinc/78/02/90/653780290.db2.gz OEYDVDIBIWDHCF-CJNGLKHVSA-N 2 2 379.302 2.425 20 0 GEADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C[C@H](C)O1 ZINC000884312484 653871543 /nfs/dbraw/zinc/87/15/43/653871543.db2.gz GPQIVHSDJGVPBR-ZENOOKHLSA-N 2 2 384.318 2.017 20 0 GEADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C[C@H](C)O1 ZINC000884312484 653871548 /nfs/dbraw/zinc/87/15/48/653871548.db2.gz GPQIVHSDJGVPBR-ZENOOKHLSA-N 2 2 384.318 2.017 20 0 GEADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000846226963 653891884 /nfs/dbraw/zinc/89/18/84/653891884.db2.gz FMLAWLMMBROLMC-NJAFHUGGSA-N 2 2 386.945 2.475 20 0 GEADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000846226963 653891889 /nfs/dbraw/zinc/89/18/89/653891889.db2.gz FMLAWLMMBROLMC-NJAFHUGGSA-N 2 2 386.945 2.475 20 0 GEADLP CN([C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccns1 ZINC000885073531 653910356 /nfs/dbraw/zinc/91/03/56/653910356.db2.gz HDLPWPCSXWLVJJ-CVEARBPZSA-N 2 2 386.587 2.101 20 0 GEADLP CN([C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccns1 ZINC000885073531 653910358 /nfs/dbraw/zinc/91/03/58/653910358.db2.gz HDLPWPCSXWLVJJ-CVEARBPZSA-N 2 2 386.587 2.101 20 0 GEADLP CN(C(=O)c1cnc(F)c(Br)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000847486162 653930824 /nfs/dbraw/zinc/93/08/24/653930824.db2.gz XUVKFSJJNJQFAD-CQSZACIVSA-N 2 2 399.308 2.224 20 0 GEADLP CN(C(=O)c1cnc(F)c(Br)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000847486162 653930825 /nfs/dbraw/zinc/93/08/25/653930825.db2.gz XUVKFSJJNJQFAD-CQSZACIVSA-N 2 2 399.308 2.224 20 0 GEADLP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000898306468 653961960 /nfs/dbraw/zinc/96/19/60/653961960.db2.gz JWXVDCORFZISIY-UHFFFAOYSA-N 2 2 392.363 2.116 20 0 GEADLP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000898306468 653961964 /nfs/dbraw/zinc/96/19/64/653961964.db2.gz JWXVDCORFZISIY-UHFFFAOYSA-N 2 2 392.363 2.116 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCSCCC(F)(F)F)C2)CC1 ZINC000868288446 654027788 /nfs/dbraw/zinc/02/77/88/654027788.db2.gz BLUKYJIYXNLZDY-ZDUSSCGKSA-N 2 2 382.496 2.140 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCSCCC(F)(F)F)C2)CC1 ZINC000868288446 654027792 /nfs/dbraw/zinc/02/77/92/654027792.db2.gz BLUKYJIYXNLZDY-ZDUSSCGKSA-N 2 2 382.496 2.140 20 0 GEADLP O=C(N(CCn1cc[nH+]c1)Cc1ccccc1Br)[C@]1(F)CC[NH2+]C1 ZINC000832182341 654243211 /nfs/dbraw/zinc/24/32/11/654243211.db2.gz JHNFQUSXGQSTRA-KRWDZBQOSA-N 2 2 395.276 2.376 20 0 GEADLP Cc1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c(Cl)c1 ZINC000903562791 654256536 /nfs/dbraw/zinc/25/65/36/654256536.db2.gz UFNZQJAIZCPSFI-IYBDPMFKSA-N 2 2 383.945 2.238 20 0 GEADLP Cc1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c(Cl)c1 ZINC000903562791 654256542 /nfs/dbraw/zinc/25/65/42/654256542.db2.gz UFNZQJAIZCPSFI-IYBDPMFKSA-N 2 2 383.945 2.238 20 0 GEADLP CCn1c(Br)c(Br)nc1C[NH2+]CCn1cc[nH+]c1 ZINC000921484098 654273053 /nfs/dbraw/zinc/27/30/53/654273053.db2.gz CQNFLBONXVPKQT-UHFFFAOYSA-N 2 2 377.084 2.414 20 0 GEADLP C[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000903755263 654282448 /nfs/dbraw/zinc/28/24/48/654282448.db2.gz DNNMPHLNWIPAMI-CVEARBPZSA-N 2 2 396.329 2.066 20 0 GEADLP C[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000903755263 654282452 /nfs/dbraw/zinc/28/24/52/654282452.db2.gz DNNMPHLNWIPAMI-CVEARBPZSA-N 2 2 396.329 2.066 20 0 GEADLP COc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872254607 654319852 /nfs/dbraw/zinc/31/98/52/654319852.db2.gz INLDUCPTWXWQSS-YUELXQCFSA-N 2 2 386.279 2.369 20 0 GEADLP COc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872254607 654319854 /nfs/dbraw/zinc/31/98/54/654319854.db2.gz INLDUCPTWXWQSS-YUELXQCFSA-N 2 2 386.279 2.369 20 0 GEADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000892794417 654364634 /nfs/dbraw/zinc/36/46/34/654364634.db2.gz UGDZYYFKUBGNQS-CYBMUJFWSA-N 2 2 378.464 2.280 20 0 GEADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000892794417 654364639 /nfs/dbraw/zinc/36/46/39/654364639.db2.gz UGDZYYFKUBGNQS-CYBMUJFWSA-N 2 2 378.464 2.280 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cn(C(C)(C)C)nc1Br ZINC000855414994 654418190 /nfs/dbraw/zinc/41/81/90/654418190.db2.gz PGQAQNIXYCAEIN-UHFFFAOYSA-N 2 2 388.354 2.014 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cn(C(C)(C)C)nc1Br ZINC000855414994 654418191 /nfs/dbraw/zinc/41/81/91/654418191.db2.gz PGQAQNIXYCAEIN-UHFFFAOYSA-N 2 2 388.354 2.014 20 0 GEADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(Br)n1 ZINC000924902187 654528600 /nfs/dbraw/zinc/52/86/00/654528600.db2.gz NBWMFPQRXVJJBY-UKRRQHHQSA-N 2 2 383.334 2.437 20 0 GEADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(Br)n1 ZINC000924902187 654528604 /nfs/dbraw/zinc/52/86/04/654528604.db2.gz NBWMFPQRXVJJBY-UKRRQHHQSA-N 2 2 383.334 2.437 20 0 GEADLP C[C@H]([NH3+])[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000925479031 654545217 /nfs/dbraw/zinc/54/52/17/654545217.db2.gz PUCLZTRERIJAKH-SWLSCSKDSA-N 2 2 379.448 2.226 20 0 GEADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccc(F)c(Br)c2F)CC1 ZINC000926174199 654562585 /nfs/dbraw/zinc/56/25/85/654562585.db2.gz ADGPUXWZCALWOT-UHFFFAOYSA-N 2 2 377.233 2.272 20 0 GEADLP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C1)[NH+]1CC[C@@H](C(F)(F)F)C1 ZINC000930120909 654699830 /nfs/dbraw/zinc/69/98/30/654699830.db2.gz KZSOCOUVNFTOEJ-GRYCIOLGSA-N 2 2 375.357 2.260 20 0 GEADLP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C1)[NH+]1CC[C@@H](C(F)(F)F)C1 ZINC000930120909 654699831 /nfs/dbraw/zinc/69/98/31/654699831.db2.gz KZSOCOUVNFTOEJ-GRYCIOLGSA-N 2 2 375.357 2.260 20 0 GEADLP C[C@H](CNC(=O)C[NH+]1CC[C@H](C(F)(F)F)C1)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000930120909 654699832 /nfs/dbraw/zinc/69/98/32/654699832.db2.gz KZSOCOUVNFTOEJ-GRYCIOLGSA-N 2 2 375.357 2.260 20 0 GEADLP C[C@H](CNC(=O)C[NH+]1CC[C@H](C(F)(F)F)C1)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000930120909 654699833 /nfs/dbraw/zinc/69/98/33/654699833.db2.gz KZSOCOUVNFTOEJ-GRYCIOLGSA-N 2 2 375.357 2.260 20 0 GEADLP Cc1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cnc1Br ZINC000931216111 654734082 /nfs/dbraw/zinc/73/40/82/654734082.db2.gz DIQXBSRPMJWKAY-UHFFFAOYSA-N 2 2 395.345 2.441 20 0 GEADLP CO[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc(Br)s1 ZINC000912387342 654751929 /nfs/dbraw/zinc/75/19/29/654751929.db2.gz OPHAIRXFUWIXEF-CQSZACIVSA-N 2 2 392.363 2.198 20 0 GEADLP CO[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc(Br)s1 ZINC000912387342 654751932 /nfs/dbraw/zinc/75/19/32/654751932.db2.gz OPHAIRXFUWIXEF-CQSZACIVSA-N 2 2 392.363 2.198 20 0 GEADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@](O)(c2ccc(Br)cc2)C1)C1CC1 ZINC000932819439 654792155 /nfs/dbraw/zinc/79/21/55/654792155.db2.gz WZQMNWNRVBPPEH-ROUUACIJSA-N 2 2 383.330 2.188 20 0 GEADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@](O)(c2ccc(Br)cc2)C1)C1CC1 ZINC000932819439 654792157 /nfs/dbraw/zinc/79/21/57/654792157.db2.gz WZQMNWNRVBPPEH-ROUUACIJSA-N 2 2 383.330 2.188 20 0 GEADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1)C1CC1 ZINC000932819439 654792159 /nfs/dbraw/zinc/79/21/59/654792159.db2.gz WZQMNWNRVBPPEH-ROUUACIJSA-N 2 2 383.330 2.188 20 0 GEADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1)C1CC1 ZINC000932819439 654792160 /nfs/dbraw/zinc/79/21/60/654792160.db2.gz WZQMNWNRVBPPEH-ROUUACIJSA-N 2 2 383.330 2.188 20 0 GEADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736937 720577092 /nfs/dbraw/zinc/57/70/92/720577092.db2.gz WHCKGMWZKKSSCF-AATRIKPKSA-N 2 2 395.507 2.431 20 0 GEADLP Cc1nc(N2CCCC2)cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)[nH+]1 ZINC001164762596 721081588 /nfs/dbraw/zinc/08/15/88/721081588.db2.gz FESBFXASQDADRT-RBUKOAKNSA-N 2 2 381.528 2.077 20 0 GEADLP Cc1nc(N2CCCC2)cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)[nH+]1 ZINC001164762596 721081594 /nfs/dbraw/zinc/08/15/94/721081594.db2.gz FESBFXASQDADRT-RBUKOAKNSA-N 2 2 381.528 2.077 20 0 GEADLP C[C@@H]1CCCN(c2cc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc[nH+]2)C1 ZINC001164770134 721223183 /nfs/dbraw/zinc/22/31/83/721223183.db2.gz NOIGAZAFZWNVFX-MISYRCLQSA-N 2 2 395.555 2.405 20 0 GEADLP C[C@@H]1CCCN(c2cc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc[nH+]2)C1 ZINC001164770134 721223192 /nfs/dbraw/zinc/22/31/92/721223192.db2.gz NOIGAZAFZWNVFX-MISYRCLQSA-N 2 2 395.555 2.405 20 0 GEADLP Cc1cc2c(nc[nH+]c2N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)[nH]1 ZINC001164883690 721400496 /nfs/dbraw/zinc/40/04/96/721400496.db2.gz BWLYUHVLRRJNGF-UTKZUKDTSA-N 2 2 384.528 2.032 20 0 GEADLP C[NH+]1CCN(c2cccc(N3CCC[C@@H]4CN(C(=O)c5ccco5)C[C@H]43)[nH+]2)CC1 ZINC001165014726 721771191 /nfs/dbraw/zinc/77/11/91/721771191.db2.gz FVCDGLCPWWRQFO-QZTJIDSGSA-N 2 2 395.507 2.167 20 0 GEADLP C[NH+](C)Cc1ccnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1 ZINC001164946408 721980275 /nfs/dbraw/zinc/98/02/75/721980275.db2.gz FFXWZIPMDMRTPL-UHFFFAOYSA-N 2 2 393.535 2.114 20 0 GEADLP C[NH+](C)Cc1ccnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1 ZINC001164946408 721980276 /nfs/dbraw/zinc/98/02/76/721980276.db2.gz FFXWZIPMDMRTPL-UHFFFAOYSA-N 2 2 393.535 2.114 20 0 GEADLP Cc1c[nH+]c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc1NCC1CC1 ZINC001165002446 722250353 /nfs/dbraw/zinc/25/03/53/722250353.db2.gz YKEHQPOXFWDJLG-UHFFFAOYSA-N 2 2 399.543 2.292 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000036300386 531659047 /nfs/dbraw/zinc/65/90/47/531659047.db2.gz XXKFCZACLCWWLE-UHFFFAOYSA-N 2 2 387.265 2.222 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000036300386 531659057 /nfs/dbraw/zinc/65/90/57/531659057.db2.gz XXKFCZACLCWWLE-UHFFFAOYSA-N 2 2 387.265 2.222 20 0 GEADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000124447095 532121715 /nfs/dbraw/zinc/12/17/15/532121715.db2.gz QYGZACBCFSNLHR-QGZVFWFLSA-N 2 2 386.323 2.011 20 0 GEADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000124447095 532121719 /nfs/dbraw/zinc/12/17/19/532121719.db2.gz QYGZACBCFSNLHR-QGZVFWFLSA-N 2 2 386.323 2.011 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000124863871 532130941 /nfs/dbraw/zinc/13/09/41/532130941.db2.gz KBJQGZXTBPALBN-DGCLKSJQSA-N 2 2 387.265 2.207 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000124863871 532130947 /nfs/dbraw/zinc/13/09/47/532130947.db2.gz KBJQGZXTBPALBN-DGCLKSJQSA-N 2 2 387.265 2.207 20 0 GEADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2ccc(F)c(Br)c2)CC1 ZINC000177112699 532161768 /nfs/dbraw/zinc/16/17/68/532161768.db2.gz VTTNSLBDPZTNRI-UHFFFAOYSA-N 2 2 386.309 2.273 20 0 GEADLP O=C(Nc1ccc(Br)cn1)C1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000131834622 532204710 /nfs/dbraw/zinc/20/47/10/532204710.db2.gz WVQGHHYEEKNLQR-UHFFFAOYSA-N 2 2 378.274 2.391 20 0 GEADLP C[NH+]1CCC([N@H+](CCO)Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000178873657 532215916 /nfs/dbraw/zinc/21/59/16/532215916.db2.gz GHCGCHRSYOBHTN-UHFFFAOYSA-N 2 2 385.302 2.109 20 0 GEADLP C[NH+]1CCC([N@@H+](CCO)Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000178873657 532215921 /nfs/dbraw/zinc/21/59/21/532215921.db2.gz GHCGCHRSYOBHTN-UHFFFAOYSA-N 2 2 385.302 2.109 20 0 GEADLP O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000131834214 532204202 /nfs/dbraw/zinc/20/42/02/532204202.db2.gz AFXNMZGHWYDTDC-ZDUSSCGKSA-N 2 2 378.274 2.391 20 0 GEADLP O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000131834214 532204206 /nfs/dbraw/zinc/20/42/06/532204206.db2.gz AFXNMZGHWYDTDC-ZDUSSCGKSA-N 2 2 378.274 2.391 20 0 GEADLP O=S(=O)(NCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1cccs1 ZINC000180180353 532259499 /nfs/dbraw/zinc/25/94/99/532259499.db2.gz MPTPPFYVAMDKFO-UHFFFAOYSA-N 2 2 385.477 2.033 20 0 GEADLP O[C@H](C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)C[NH+]1CCCC1 ZINC000139533634 532292754 /nfs/dbraw/zinc/29/27/54/532292754.db2.gz XZWCGYQLYHGZDP-QGZVFWFLSA-N 2 2 379.302 2.181 20 0 GEADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000183738917 532328496 /nfs/dbraw/zinc/32/84/96/532328496.db2.gz HKFCQBLCWWQXIY-ZDUSSCGKSA-N 2 2 383.327 2.300 20 0 GEADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000677654400 532381489 /nfs/dbraw/zinc/38/14/89/532381489.db2.gz WJJBBZYGRCXIDX-OAHLLOKOSA-N 2 2 386.721 2.453 20 0 GEADLP CCS(=O)(=O)c1c(Cl)cccc1CN(CC[NH+](C)C)CC[NH+](C)C ZINC000558416063 532389523 /nfs/dbraw/zinc/38/95/23/532389523.db2.gz MEOKAFJCDFUGRZ-UHFFFAOYSA-N 2 2 375.966 2.059 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1[nH]nc(C2CC2)c1Br ZINC000591642194 532416201 /nfs/dbraw/zinc/41/62/01/532416201.db2.gz UPUTZZIBPHLSFE-UHFFFAOYSA-N 2 2 398.349 2.148 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1[nH]nc(C2CC2)c1Br ZINC000591642194 532416206 /nfs/dbraw/zinc/41/62/06/532416206.db2.gz UPUTZZIBPHLSFE-UHFFFAOYSA-N 2 2 398.349 2.148 20 0 GEADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000466226468 532423929 /nfs/dbraw/zinc/42/39/29/532423929.db2.gz NIDAMKJNFOSNPB-NHYWBVRUSA-N 2 2 392.301 2.379 20 0 GEADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000466226468 532423936 /nfs/dbraw/zinc/42/39/36/532423936.db2.gz NIDAMKJNFOSNPB-NHYWBVRUSA-N 2 2 392.301 2.379 20 0 GEADLP CC[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1cc(F)cc(Br)c1 ZINC000561203426 532431722 /nfs/dbraw/zinc/43/17/22/532431722.db2.gz YJMAKEWAGWXRSP-HUUCEWRRSA-N 2 2 387.297 2.324 20 0 GEADLP CC[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1cc(F)cc(Br)c1 ZINC000561203426 532431727 /nfs/dbraw/zinc/43/17/27/532431727.db2.gz YJMAKEWAGWXRSP-HUUCEWRRSA-N 2 2 387.297 2.324 20 0 GEADLP C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428029737 532440490 /nfs/dbraw/zinc/44/04/90/532440490.db2.gz BDTRBVQYUDGCDS-JMSVASOKSA-N 2 2 399.276 2.302 20 0 GEADLP C[C@H](C(=O)Nc1cccc(I)c1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428029737 532440493 /nfs/dbraw/zinc/44/04/93/532440493.db2.gz BDTRBVQYUDGCDS-JMSVASOKSA-N 2 2 399.276 2.302 20 0 GEADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccccc2Br)C[C@@H](C)O1 ZINC000564864614 532535467 /nfs/dbraw/zinc/53/54/67/532535467.db2.gz PKRLYGJGEXMTQW-BEHLRCOKSA-N 2 2 383.330 2.365 20 0 GEADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000564974921 532541230 /nfs/dbraw/zinc/54/12/30/532541230.db2.gz FAJNWQAYWJGIPT-LSDHHAIUSA-N 2 2 377.312 2.170 20 0 GEADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000564974921 532541232 /nfs/dbraw/zinc/54/12/32/532541232.db2.gz FAJNWQAYWJGIPT-LSDHHAIUSA-N 2 2 377.312 2.170 20 0 GEADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1 ZINC000653068961 532529558 /nfs/dbraw/zinc/52/95/58/532529558.db2.gz YLXZZMPKYFJEER-JTQLQIEISA-N 2 2 376.404 2.455 20 0 GEADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ncc(Cl)cc1Br ZINC000527726695 532554148 /nfs/dbraw/zinc/55/41/48/532554148.db2.gz NZJGGQDVWMCLMT-IAQYHMDHSA-N 2 2 398.692 2.341 20 0 GEADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COCC(F)(F)F)C1 ZINC000433209819 532558474 /nfs/dbraw/zinc/55/84/74/532558474.db2.gz SFPRPVGGNAQPSA-UONOGXRCSA-N 2 2 381.464 2.145 20 0 GEADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COCC(F)(F)F)C1 ZINC000433209819 532558481 /nfs/dbraw/zinc/55/84/81/532558481.db2.gz SFPRPVGGNAQPSA-UONOGXRCSA-N 2 2 381.464 2.145 20 0 GEADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COCC(F)(F)F)C1 ZINC000433209819 532558487 /nfs/dbraw/zinc/55/84/87/532558487.db2.gz SFPRPVGGNAQPSA-UONOGXRCSA-N 2 2 381.464 2.145 20 0 GEADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COCC(F)(F)F)C1 ZINC000433209819 532558493 /nfs/dbraw/zinc/55/84/93/532558493.db2.gz SFPRPVGGNAQPSA-UONOGXRCSA-N 2 2 381.464 2.145 20 0 GEADLP C[C@@H]1C[N@H+](Cc2ccc(Br)cc2C[NH+]2C[C@H](O)[C@@H](C)C2)C[C@H]1O ZINC000433239699 532558787 /nfs/dbraw/zinc/55/87/87/532558787.db2.gz IIJYFZWVQROGFJ-OBQMCUGOSA-N 2 2 383.330 2.074 20 0 GEADLP C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2C[NH+]2C[C@H](O)[C@@H](C)C2)C[C@H]1O ZINC000433239699 532558795 /nfs/dbraw/zinc/55/87/95/532558795.db2.gz IIJYFZWVQROGFJ-OBQMCUGOSA-N 2 2 383.330 2.074 20 0 GEADLP C[C@@H]1C[NH+](Cc2ccc(Br)cc2C[N@H+]2C[C@H](O)[C@@H](C)C2)C[C@H]1O ZINC000433239699 532558798 /nfs/dbraw/zinc/55/87/98/532558798.db2.gz IIJYFZWVQROGFJ-OBQMCUGOSA-N 2 2 383.330 2.074 20 0 GEADLP C[C@@H]1C[NH+](Cc2ccc(Br)cc2C[N@@H+]2C[C@H](O)[C@@H](C)C2)C[C@H]1O ZINC000433239699 532558803 /nfs/dbraw/zinc/55/88/03/532558803.db2.gz IIJYFZWVQROGFJ-OBQMCUGOSA-N 2 2 383.330 2.074 20 0 GEADLP Clc1ccc(OCC[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000262411490 532592760 /nfs/dbraw/zinc/59/27/60/532592760.db2.gz DEMUMWUAVSEOTG-CQSZACIVSA-N 2 2 388.737 2.461 20 0 GEADLP COc1nc(N2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)ncc1Br ZINC000472560294 532577522 /nfs/dbraw/zinc/57/75/22/532577522.db2.gz BKGLELCXYLMCGP-CQSZACIVSA-N 2 2 398.349 2.244 20 0 GEADLP COc1nc(N2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)ncc1Br ZINC000472560294 532577529 /nfs/dbraw/zinc/57/75/29/532577529.db2.gz BKGLELCXYLMCGP-CQSZACIVSA-N 2 2 398.349 2.244 20 0 GEADLP O=C(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)Nc1cccc(Br)c1 ZINC000566245649 532601928 /nfs/dbraw/zinc/60/19/28/532601928.db2.gz ONFAXTHDAPYWAC-ARFHVFGLSA-N 2 2 382.302 2.134 20 0 GEADLP C[N@H+](CC(=O)Nc1ccc(I)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435627995 532622748 /nfs/dbraw/zinc/62/27/48/532622748.db2.gz SWVSQPSVBAYRMU-AWEZNQCLSA-N 2 2 387.265 2.304 20 0 GEADLP C[N@@H+](CC(=O)Nc1ccc(I)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435627995 532622754 /nfs/dbraw/zinc/62/27/54/532622754.db2.gz SWVSQPSVBAYRMU-AWEZNQCLSA-N 2 2 387.265 2.304 20 0 GEADLP CC(C)(O)C[NH+]1CCC([NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000639212624 532691861 /nfs/dbraw/zinc/69/18/61/532691861.db2.gz HHLNZCCERGFPDS-UHFFFAOYSA-N 2 2 388.961 2.329 20 0 GEADLP C[N@@H+]1CCN(C(=O)COc2ccc3cc(Br)ccc3c2)[C@H](C[NH3+])C1 ZINC000576157934 532724298 /nfs/dbraw/zinc/72/42/98/532724298.db2.gz XKLYLBPSYZUVOH-MRXNPFEDSA-N 2 2 392.297 2.082 20 0 GEADLP C[N@H+]1CCN(C(=O)COc2ccc3cc(Br)ccc3c2)[C@H](C[NH3+])C1 ZINC000576157934 532724303 /nfs/dbraw/zinc/72/43/03/532724303.db2.gz XKLYLBPSYZUVOH-MRXNPFEDSA-N 2 2 392.297 2.082 20 0 GEADLP Cn1cc[nH+]c1N1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000266884126 532728933 /nfs/dbraw/zinc/72/89/33/532728933.db2.gz AZBQOJXPZJLNFU-UHFFFAOYSA-N 2 2 392.301 2.333 20 0 GEADLP COCCC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000675782037 532741346 /nfs/dbraw/zinc/74/13/46/532741346.db2.gz KXLRIGBCTJPAPJ-KRWDZBQOSA-N 2 2 398.345 2.280 20 0 GEADLP CC(CC[NH+]1C[C@@H](C)[S@](=O)[C@@H](C)C1)CC[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000411625347 532771116 /nfs/dbraw/zinc/77/11/16/532771116.db2.gz VYFOSJHMAWUQGI-CAGQATRXSA-N 2 2 376.632 2.085 20 0 GEADLP CC(CC[NH+]1C[C@@H](C)[S@](=O)[C@@H](C)C1)CC[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000411625347 532771127 /nfs/dbraw/zinc/77/11/27/532771127.db2.gz VYFOSJHMAWUQGI-CAGQATRXSA-N 2 2 376.632 2.085 20 0 GEADLP [NH3+][C@@H]1C[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C[C@H]1c1ccccc1 ZINC000327992278 532793058 /nfs/dbraw/zinc/79/30/58/532793058.db2.gz CYUHOORAKHKPLI-DLBZAZTESA-N 2 2 399.292 2.384 20 0 GEADLP [NH3+][C@@H]1C[N@@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C[C@H]1c1ccccc1 ZINC000327992278 532793062 /nfs/dbraw/zinc/79/30/62/532793062.db2.gz CYUHOORAKHKPLI-DLBZAZTESA-N 2 2 399.292 2.384 20 0 GEADLP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CCSC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000556665061 532811380 /nfs/dbraw/zinc/81/13/80/532811380.db2.gz UZOIRZZFCLCPQN-SQWLQELKSA-N 2 2 375.460 2.436 20 0 GEADLP CC[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CCSC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000556665061 532811382 /nfs/dbraw/zinc/81/13/82/532811382.db2.gz UZOIRZZFCLCPQN-SQWLQELKSA-N 2 2 375.460 2.436 20 0 GEADLP Cc1cc(Br)cc(C[NH2+]C[C@H]2C[NH2+]CCN2C)c1OC(F)F ZINC000414969192 532836918 /nfs/dbraw/zinc/83/69/18/532836918.db2.gz SLHNDWHGDWVBQV-CYBMUJFWSA-N 2 2 378.261 2.352 20 0 GEADLP O=C1N[C@H]2C[N@@H+](Cc3ccc(Br)cc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415132544 532838961 /nfs/dbraw/zinc/83/89/61/532838961.db2.gz BAQLYLANKJYTGU-DLBZAZTESA-N 2 2 393.329 2.169 20 0 GEADLP O=C1N[C@H]2C[N@H+](Cc3ccc(Br)cc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415132544 532838958 /nfs/dbraw/zinc/83/89/58/532838958.db2.gz BAQLYLANKJYTGU-DLBZAZTESA-N 2 2 393.329 2.169 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)[nH+]c12 ZINC000274242792 532846028 /nfs/dbraw/zinc/84/60/28/532846028.db2.gz RMWTWFDYNNXMHU-OAHLLOKOSA-N 2 2 392.301 2.395 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[N@H+]4CCC[C@@H]4C3)[nH+]c12 ZINC000274242792 532846032 /nfs/dbraw/zinc/84/60/32/532846032.db2.gz RMWTWFDYNNXMHU-OAHLLOKOSA-N 2 2 392.301 2.395 20 0 GEADLP [NH3+]CC[C@@H](NC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1)C(F)(F)F ZINC000415995406 532862373 /nfs/dbraw/zinc/86/23/73/532862373.db2.gz MZFLITSQMRDQFO-CQSZACIVSA-N 2 2 378.826 2.447 20 0 GEADLP C[C@H]1C[C@@H](C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CC[N@@H+]1C ZINC000333538100 532870228 /nfs/dbraw/zinc/87/02/28/532870228.db2.gz RLBXOPXCLXJMRZ-STQMWFEESA-N 2 2 397.317 2.350 20 0 GEADLP C[C@H]1C[C@@H](C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CC[N@H+]1C ZINC000333538100 532870231 /nfs/dbraw/zinc/87/02/31/532870231.db2.gz RLBXOPXCLXJMRZ-STQMWFEESA-N 2 2 397.317 2.350 20 0 GEADLP Cc1cc(Br)cn2c(C[NH2+]C[C@@H]3CCCS(=O)(=O)C3)c[nH+]c12 ZINC000290184928 532874551 /nfs/dbraw/zinc/87/45/51/532874551.db2.gz SGTYJSQUNOYJGL-LBPRGKRZSA-N 2 2 386.315 2.320 20 0 GEADLP C[C@H](C[NH3+])CNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000418466518 532881110 /nfs/dbraw/zinc/88/11/10/532881110.db2.gz HKNYYOVFDLAVHN-GFCCVEGCSA-N 2 2 384.278 2.045 20 0 GEADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c(Cl)n(C)nc3C(F)(F)F)C2)CC1 ZINC000360682888 532890766 /nfs/dbraw/zinc/89/07/66/532890766.db2.gz WSERYFMXDKNWJC-LBPRGKRZSA-N 2 2 379.858 2.304 20 0 GEADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(Cl)n(C)nc3C(F)(F)F)C2)CC1 ZINC000360682888 532890768 /nfs/dbraw/zinc/89/07/68/532890768.db2.gz WSERYFMXDKNWJC-LBPRGKRZSA-N 2 2 379.858 2.304 20 0 GEADLP CN(C(=O)c1cncc(Br)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365226006 532908994 /nfs/dbraw/zinc/90/89/94/532908994.db2.gz NKZLRSPNFFEFGA-INIZCTEOSA-N 2 2 381.318 2.085 20 0 GEADLP CN(C(=O)c1cncc(Br)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365226006 532908995 /nfs/dbraw/zinc/90/89/95/532908995.db2.gz NKZLRSPNFFEFGA-INIZCTEOSA-N 2 2 381.318 2.085 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3ccc(F)cc3Br)C2)CC1 ZINC000366639111 532919766 /nfs/dbraw/zinc/91/97/66/532919766.db2.gz GZQHPRHMCROOAB-OAHLLOKOSA-N 2 2 398.320 2.415 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3ccc(F)cc3Br)C2)CC1 ZINC000366639111 532919767 /nfs/dbraw/zinc/91/97/67/532919767.db2.gz GZQHPRHMCROOAB-OAHLLOKOSA-N 2 2 398.320 2.415 20 0 GEADLP Cc1nn(C)c(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1Br ZINC000369216590 532937570 /nfs/dbraw/zinc/93/75/70/532937570.db2.gz UXRLEYPRLNZXRP-UHFFFAOYSA-N 2 2 398.393 2.341 20 0 GEADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NCc3ccc(Cl)s3)C2)CC1 ZINC000369439228 532939237 /nfs/dbraw/zinc/93/92/37/532939237.db2.gz FZPVGEXVFNIUOF-HNNXBMFYSA-N 2 2 384.977 2.118 20 0 GEADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NCc3ccc(Cl)s3)C2)CC1 ZINC000369439228 532939238 /nfs/dbraw/zinc/93/92/38/532939238.db2.gz FZPVGEXVFNIUOF-HNNXBMFYSA-N 2 2 384.977 2.118 20 0 GEADLP CN(C(=O)c1cc(Br)cn1C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371627853 532949158 /nfs/dbraw/zinc/94/91/58/532949158.db2.gz NCAMQXHAGZMOTI-HNNXBMFYSA-N 2 2 383.334 2.028 20 0 GEADLP CN(C(=O)c1cc(Br)cn1C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371627853 532949159 /nfs/dbraw/zinc/94/91/59/532949159.db2.gz NCAMQXHAGZMOTI-HNNXBMFYSA-N 2 2 383.334 2.028 20 0 GEADLP FC(F)Oc1ccc2[nH+]cc(-c3nn[nH]n3)c(N3CC[C@H]([NH+]4CC=CC4)C3)c2c1 ZINC000822736360 599047944 /nfs/dbraw/zinc/04/79/44/599047944.db2.gz DMJIGVSCSYDUFF-LBPRGKRZSA-N 2 2 399.405 2.467 20 0 GEADLP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736531183 599088877 /nfs/dbraw/zinc/08/88/77/599088877.db2.gz SGWBKBDOGPSAEE-IBGZPJMESA-N 2 2 393.495 2.025 20 0 GEADLP Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3cc[nH+]c3C)C2)c(-c2nn[nH]n2)c1C ZINC000737547344 598368876 /nfs/dbraw/zinc/36/88/76/598368876.db2.gz KBIUBXQFXJFNNC-DOMZBBRYSA-N 2 2 398.471 2.246 20 0 GEADLP Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](n3cc[nH+]c3C)C2)c(-c2nn[nH]n2)c1C ZINC000737547344 598368878 /nfs/dbraw/zinc/36/88/78/598368878.db2.gz KBIUBXQFXJFNNC-DOMZBBRYSA-N 2 2 398.471 2.246 20 0 GEADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccccc1-c1nn[nH]n1 ZINC000821622339 606185795 /nfs/dbraw/zinc/18/57/95/606185795.db2.gz ZNBLMSBWZWXNHH-UHFFFAOYSA-N 3 2 397.571 2.495 20 0 GEADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)c2ccccc2)CC1 ZINC000821627361 606217208 /nfs/dbraw/zinc/21/72/08/606217208.db2.gz YGTPEOHWOQYGSX-SFHVURJKSA-N 2 2 383.525 2.007 20 0 GEADLP C[C@@H]1CC[N@H+](Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000820728129 607025445 /nfs/dbraw/zinc/02/54/45/607025445.db2.gz TXWGYSYCMODKLX-DNVCBOLYSA-N 2 2 389.467 2.467 20 0 GEADLP C[C@@H]1CC[N@@H+](Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000820728129 607025447 /nfs/dbraw/zinc/02/54/47/607025447.db2.gz TXWGYSYCMODKLX-DNVCBOLYSA-N 2 2 389.467 2.467 20 0 GEADLP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824627583 609133679 /nfs/dbraw/zinc/13/36/79/609133679.db2.gz ZDQMMYBOTZUMPB-AWEZNQCLSA-N 2 2 396.474 2.003 20 0 GEADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824579473 609337228 /nfs/dbraw/zinc/33/72/28/609337228.db2.gz ZNBORXHKXZQDFS-YCRPNKLZSA-N 2 2 396.470 2.293 20 0 GEADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824579473 609337231 /nfs/dbraw/zinc/33/72/31/609337231.db2.gz ZNBORXHKXZQDFS-YCRPNKLZSA-N 2 2 396.470 2.293 20 0 GEADLP O=c1ccc(Br)cn1CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000449374018 650039212 /nfs/dbraw/zinc/03/92/12/650039212.db2.gz DQCWMWDQYRUSQB-UHFFFAOYSA-N 2 2 377.286 2.264 20 0 GEADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(c3ccc(Br)cc3)CC2)CC1 ZINC000503436141 650417430 /nfs/dbraw/zinc/41/74/30/650417430.db2.gz NEHMUAYUNPTVMZ-UHFFFAOYSA-N 2 2 380.330 2.403 20 0 GEADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000513888163 650570936 /nfs/dbraw/zinc/57/09/36/650570936.db2.gz UANDCHAJLBDCTG-UHFFFAOYSA-N 2 2 387.311 2.028 20 0 GEADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000513888163 650570939 /nfs/dbraw/zinc/57/09/39/650570939.db2.gz UANDCHAJLBDCTG-UHFFFAOYSA-N 2 2 387.311 2.028 20 0 GEADLP COc1c(Br)cccc1C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000479557998 650606517 /nfs/dbraw/zinc/60/65/17/650606517.db2.gz ZMRVCBTXLGMALA-CQSZACIVSA-N 2 2 384.318 2.135 20 0 GEADLP COc1c(Br)cccc1C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000479557998 650606518 /nfs/dbraw/zinc/60/65/18/650606518.db2.gz ZMRVCBTXLGMALA-CQSZACIVSA-N 2 2 384.318 2.135 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)[nH+]c12 ZINC000487143754 650729535 /nfs/dbraw/zinc/72/95/35/650729535.db2.gz XHHNLZIDYHIVER-WFASDCNBSA-N 2 2 379.302 2.262 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)[nH+]c12 ZINC000487143754 650729539 /nfs/dbraw/zinc/72/95/39/650729539.db2.gz XHHNLZIDYHIVER-WFASDCNBSA-N 2 2 379.302 2.262 20 0 GEADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000070174321 643049845 /nfs/dbraw/zinc/04/98/45/643049845.db2.gz SWAOQSBAJVLMFY-RYUDHWBXSA-N 2 2 387.265 2.289 20 0 GEADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000070174321 643049852 /nfs/dbraw/zinc/04/98/52/643049852.db2.gz SWAOQSBAJVLMFY-RYUDHWBXSA-N 2 2 387.265 2.289 20 0 GEADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N(C)Cc3ccc(Cl)s3)C2)CC1 ZINC000107369808 643255432 /nfs/dbraw/zinc/25/54/32/643255432.db2.gz VVZBQABBGRSWQG-HNNXBMFYSA-N 2 2 384.977 2.072 20 0 GEADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N(C)Cc3ccc(Cl)s3)C2)CC1 ZINC000107369808 643255435 /nfs/dbraw/zinc/25/54/35/643255435.db2.gz VVZBQABBGRSWQG-HNNXBMFYSA-N 2 2 384.977 2.072 20 0 GEADLP Cc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(Br)n1 ZINC000125195152 643703193 /nfs/dbraw/zinc/70/31/93/643703193.db2.gz SXSNVEYIEJZIDL-UHFFFAOYSA-N 2 2 395.345 2.441 20 0 GEADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000154313175 644033988 /nfs/dbraw/zinc/03/39/88/644033988.db2.gz WHRJLAFPJHJWPB-TZMCWYRMSA-N 2 2 390.265 2.017 20 0 GEADLP Brc1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c2ncccc12 ZINC000261837112 645604505 /nfs/dbraw/zinc/60/45/05/645604505.db2.gz ILMHXFAPYBWVGI-HNNXBMFYSA-N 2 2 375.314 2.477 20 0 GEADLP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1Br ZINC000268944098 646008298 /nfs/dbraw/zinc/00/82/98/646008298.db2.gz TXWFHDUNLLRFAF-IUODEOHRSA-N 2 2 384.318 2.448 20 0 GEADLP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cc1Br ZINC000268944098 646008307 /nfs/dbraw/zinc/00/83/07/646008307.db2.gz TXWFHDUNLLRFAF-IUODEOHRSA-N 2 2 384.318 2.448 20 0 GEADLP CC(C)[C@H](C[NH2+]Cc1nc2ccccn2c1Br)N1CC[NH+](C)CC1 ZINC000289282971 646928617 /nfs/dbraw/zinc/92/86/17/646928617.db2.gz OURKHNSVCLBIAQ-INIZCTEOSA-N 2 2 394.361 2.458 20 0 GEADLP O[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)COc1ccc(Cl)cc1Cl ZINC000325859291 647304129 /nfs/dbraw/zinc/30/41/29/647304129.db2.gz XQDKFAKTGTVMHH-RRFJBIMHSA-N 2 2 375.296 2.186 20 0 GEADLP O[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)COc1ccc(Cl)cc1Cl ZINC000325859291 647304132 /nfs/dbraw/zinc/30/41/32/647304132.db2.gz XQDKFAKTGTVMHH-RRFJBIMHSA-N 2 2 375.296 2.186 20 0 GEADLP O=C(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)NCc1ccc(Cl)s1 ZINC000377514391 647861070 /nfs/dbraw/zinc/86/10/70/647861070.db2.gz YKVCBEFTBYVLOU-UHFFFAOYSA-N 2 2 385.961 2.452 20 0 GEADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc(S(C)(=O)=O)s3)[nH+]c2)C1 ZINC000414286876 648090399 /nfs/dbraw/zinc/09/03/99/648090399.db2.gz DDIHDZHHIPESMW-AWEZNQCLSA-N 2 2 380.539 2.299 20 0 GEADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(F)cc1I ZINC000417907010 648266006 /nfs/dbraw/zinc/26/60/06/648266006.db2.gz GIHWFGZGGPKJPX-GFCCVEGCSA-N 2 2 391.272 2.156 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3C[NH2+]CC[C@@H]3C)[nH+]c12 ZINC000418015871 648269941 /nfs/dbraw/zinc/26/99/41/648269941.db2.gz FFDUXZIBVKSWSJ-NHYWBVRUSA-N 2 2 394.317 2.245 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)[nH+]c12 ZINC000418016271 648270552 /nfs/dbraw/zinc/27/05/52/648270552.db2.gz FSGNHQZFKFJUHD-TZMCWYRMSA-N 2 2 394.317 2.374 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N(C)C3CC[NH2+]CC3)[nH+]c12 ZINC000418021256 648271403 /nfs/dbraw/zinc/27/14/03/648271403.db2.gz PEIOJHCHIRMNPE-UHFFFAOYSA-N 2 2 394.317 2.341 20 0 GEADLP O=C1[C@H]([N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CCN1c1ccc(Cl)cc1Cl ZINC000420349118 648413335 /nfs/dbraw/zinc/41/33/35/648413335.db2.gz NUWBNUXMIBQMFQ-RHSMWYFYSA-N 2 2 383.323 2.078 20 0 GEADLP O=C1[C@H]([N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CCN1c1ccc(Cl)cc1Cl ZINC000420349118 648413341 /nfs/dbraw/zinc/41/33/41/648413341.db2.gz NUWBNUXMIBQMFQ-RHSMWYFYSA-N 2 2 383.323 2.078 20 0 GEADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(I)cc2)C[C@@H]1C[NH3+] ZINC000420381464 648415013 /nfs/dbraw/zinc/41/50/13/648415013.db2.gz PBQSCSQOBFDGSC-NEPJUHHUSA-N 2 2 387.265 2.146 20 0 GEADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(I)cc2)C[C@@H]1C[NH3+] ZINC000420381464 648415017 /nfs/dbraw/zinc/41/50/17/648415017.db2.gz PBQSCSQOBFDGSC-NEPJUHHUSA-N 2 2 387.265 2.146 20 0 GEADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3ccc(I)cc3)C2)nn1 ZINC000420386602 648415115 /nfs/dbraw/zinc/41/51/15/648415115.db2.gz VFFXPFHDWKLFLR-OAHLLOKOSA-N 2 2 397.264 2.179 20 0 GEADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ccc(I)cc3)C2)nn1 ZINC000420386602 648415118 /nfs/dbraw/zinc/41/51/18/648415118.db2.gz VFFXPFHDWKLFLR-OAHLLOKOSA-N 2 2 397.264 2.179 20 0 GEADLP Brc1ccccc1N1CC[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000422703480 648573780 /nfs/dbraw/zinc/57/37/80/648573780.db2.gz HVIKXEICFGAKSF-BMGDILEWSA-N 2 2 380.330 2.384 20 0 GEADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000422908520 648576698 /nfs/dbraw/zinc/57/66/98/648576698.db2.gz MUDPMNVSSLCABQ-GDBMZVCRSA-N 2 2 398.345 2.154 20 0 GEADLP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422958154 648578881 /nfs/dbraw/zinc/57/88/81/648578881.db2.gz WVKLOADFUYWSLK-DZGCQCFKSA-N 2 2 384.318 2.443 20 0 GEADLP Cc1ccc(C[C@H](CO)C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)cc1Br ZINC000423149866 648584350 /nfs/dbraw/zinc/58/43/50/648584350.db2.gz BBDYFCLDKIZYOK-XIRDDKMYSA-N 2 2 385.346 2.265 20 0 GEADLP Cc1ccc(C[C@H](CO)C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1Br ZINC000423164495 648585597 /nfs/dbraw/zinc/58/55/97/648585597.db2.gz SRIMGOBEUCOHFC-ZYSHUDEJSA-N 2 2 397.357 2.265 20 0 GEADLP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423175167 648587246 /nfs/dbraw/zinc/58/72/46/648587246.db2.gz DHNIIETYBAJELV-LLVKDONJSA-N 2 2 390.347 2.409 20 0 GEADLP COCC[NH2+]CC[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000423336621 648589563 /nfs/dbraw/zinc/58/95/63/648589563.db2.gz QNLJEKQSOZBQOL-ZDUSSCGKSA-N 2 2 376.282 2.438 20 0 GEADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423292143 648589600 /nfs/dbraw/zinc/58/96/00/648589600.db2.gz LQSLKMBJZMDZCL-JTQLQIEISA-N 2 2 378.336 2.265 20 0 GEADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1cccc(I)c1 ZINC000424331181 648623349 /nfs/dbraw/zinc/62/33/49/648623349.db2.gz IZNNDQCHKHKZJS-ZLKJLUDKSA-N 2 2 387.265 2.478 20 0 GEADLP C[NH+](C)CC(=O)N1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000443521217 648880847 /nfs/dbraw/zinc/88/08/47/648880847.db2.gz HSZKPYQQSBYKMZ-UHFFFAOYSA-N 2 2 395.276 2.347 20 0 GEADLP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Br)cn1 ZINC000555368894 651224155 /nfs/dbraw/zinc/22/41/55/651224155.db2.gz AJARGCNICQCRQK-CYBMUJFWSA-N 2 2 383.334 2.437 20 0 GEADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(I)cc2)CC[N@@H+]1C ZINC000556606224 651247749 /nfs/dbraw/zinc/24/77/49/651247749.db2.gz UYFUNPMRTPFAPQ-RISCZKNCSA-N 2 2 387.265 2.302 20 0 GEADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(I)cc2)CC[N@H+]1C ZINC000556606224 651247750 /nfs/dbraw/zinc/24/77/50/651247750.db2.gz UYFUNPMRTPFAPQ-RISCZKNCSA-N 2 2 387.265 2.302 20 0 GEADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3cc(Br)cc4c3OCC4)C2)nn1 ZINC000562751424 651501412 /nfs/dbraw/zinc/50/14/12/651501412.db2.gz WPECZQPLSRQYOZ-MRXNPFEDSA-N 2 2 392.301 2.271 20 0 GEADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cc(Br)cc4c3OCC4)C2)nn1 ZINC000562751424 651501419 /nfs/dbraw/zinc/50/14/19/651501419.db2.gz WPECZQPLSRQYOZ-MRXNPFEDSA-N 2 2 392.301 2.271 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(F)c(Br)c3)C2)CC1 ZINC000608133819 651586794 /nfs/dbraw/zinc/58/67/94/651586794.db2.gz YGCLKQQUNDCYQO-ZDUSSCGKSA-N 2 2 384.293 2.487 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(F)c(Br)c3)C2)CC1 ZINC000608133819 651586800 /nfs/dbraw/zinc/58/68/00/651586800.db2.gz YGCLKQQUNDCYQO-ZDUSSCGKSA-N 2 2 384.293 2.487 20 0 GEADLP Brc1csc(-c2noc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000567251533 651620464 /nfs/dbraw/zinc/62/04/64/651620464.db2.gz RAMBVAYIURPMNA-GFCCVEGCSA-N 2 2 398.330 2.040 20 0 GEADLP Brc1csc(-c2noc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000567251533 651620468 /nfs/dbraw/zinc/62/04/68/651620468.db2.gz RAMBVAYIURPMNA-GFCCVEGCSA-N 2 2 398.330 2.040 20 0 GEADLP [NH3+]C[C@H]1C[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)CCCO1 ZINC000572979182 651927534 /nfs/dbraw/zinc/92/75/34/651927534.db2.gz YHVIIVSUGZWSJD-INIZCTEOSA-N 2 2 377.286 2.456 20 0 GEADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)CCCO1 ZINC000572979182 651927537 /nfs/dbraw/zinc/92/75/37/651927537.db2.gz YHVIIVSUGZWSJD-INIZCTEOSA-N 2 2 377.286 2.456 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1noc2ccc(Br)cc21 ZINC000617763472 651971049 /nfs/dbraw/zinc/97/10/49/651971049.db2.gz SBLCBMCXAGCTBF-UHFFFAOYSA-N 2 2 397.317 2.133 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1noc2ccc(Br)cc21 ZINC000617763472 651971054 /nfs/dbraw/zinc/97/10/54/651971054.db2.gz SBLCBMCXAGCTBF-UHFFFAOYSA-N 2 2 397.317 2.133 20 0 GEADLP C[N@@H+]1CC[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000655928340 652013411 /nfs/dbraw/zinc/01/34/11/652013411.db2.gz LUQFWUFQWBMXEQ-YNEHKIRRSA-N 2 2 382.789 2.413 20 0 GEADLP C[N@H+]1CC[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000655928340 652013417 /nfs/dbraw/zinc/01/34/17/652013417.db2.gz LUQFWUFQWBMXEQ-YNEHKIRRSA-N 2 2 382.789 2.413 20 0 GEADLP O=C1NCC[C@H]1CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000579969094 652361867 /nfs/dbraw/zinc/36/18/67/652361867.db2.gz CLKKDIPRXJMPBE-ZDUSSCGKSA-N 2 2 381.274 2.267 20 0 GEADLP O=C1NCC[C@H]1CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000579969094 652361869 /nfs/dbraw/zinc/36/18/69/652361869.db2.gz CLKKDIPRXJMPBE-ZDUSSCGKSA-N 2 2 381.274 2.267 20 0 GEADLP C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)Cn1cc[nH+]c1 ZINC000581591843 652418098 /nfs/dbraw/zinc/41/80/98/652418098.db2.gz GQLGFLCEOGAOCE-CYBMUJFWSA-N 2 2 392.301 2.425 20 0 GEADLP C[C@@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)Cn1cc[nH+]c1 ZINC000581591843 652418101 /nfs/dbraw/zinc/41/81/01/652418101.db2.gz GQLGFLCEOGAOCE-CYBMUJFWSA-N 2 2 392.301 2.425 20 0 GEADLP O[C@@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662161446 652449990 /nfs/dbraw/zinc/44/99/90/652449990.db2.gz UPZNLCITDFPIEJ-HZPDHXFCSA-N 2 2 389.323 2.264 20 0 GEADLP O[C@@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662161446 652449993 /nfs/dbraw/zinc/44/99/93/652449993.db2.gz UPZNLCITDFPIEJ-HZPDHXFCSA-N 2 2 389.323 2.264 20 0 GEADLP O=C(c1cccc(Cl)c1Cl)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662251124 652454426 /nfs/dbraw/zinc/45/44/26/652454426.db2.gz ZKTBXOSNRGNBIP-CYBMUJFWSA-N 2 2 384.307 2.272 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)NCC[C@H]3CC[NH2+]C3)[nH+]c12 ZINC000582655241 652457889 /nfs/dbraw/zinc/45/78/89/652457889.db2.gz BGDNJLCIGZDKIO-CYBMUJFWSA-N 2 2 394.317 2.247 20 0 GEADLP C[NH2+][C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cccc(Cl)c1Cl ZINC000662716628 652471166 /nfs/dbraw/zinc/47/11/66/652471166.db2.gz GRHJXGMDRHEBQN-ZOBUZTSGSA-N 2 2 386.323 2.312 20 0 GEADLP Cc1nc(NCC(=O)NCC[NH+]2CCCCCC2)c(Br)c(C)[nH+]1 ZINC000663935308 652517151 /nfs/dbraw/zinc/51/71/51/652517151.db2.gz DPFZOAREFXTDHX-UHFFFAOYSA-N 2 2 384.322 2.260 20 0 GEADLP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000665246418 652549389 /nfs/dbraw/zinc/54/93/89/652549389.db2.gz FIHANKXEEVAHFX-SNVBAGLBSA-N 2 2 376.320 2.019 20 0 GEADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)n1 ZINC000665292461 652550621 /nfs/dbraw/zinc/55/06/21/652550621.db2.gz AJHGZWWDWCRWMN-YOEHRIQHSA-N 2 2 393.285 2.413 20 0 GEADLP CSc1ncc(Cl)c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000601477216 653098786 /nfs/dbraw/zinc/09/87/86/653098786.db2.gz GOPCULOWXFATQZ-ZDUSSCGKSA-N 2 2 383.949 2.092 20 0 GEADLP CSc1ncc(Cl)c(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000601477216 653098791 /nfs/dbraw/zinc/09/87/91/653098791.db2.gz GOPCULOWXFATQZ-ZDUSSCGKSA-N 2 2 383.949 2.092 20 0 GEADLP Brc1cc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cs1 ZINC000641789611 653234360 /nfs/dbraw/zinc/23/43/60/653234360.db2.gz NCLIACXXETUEDF-OAHLLOKOSA-N 2 2 388.375 2.397 20 0 GEADLP COC(=O)c1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1Br ZINC000876512091 653433452 /nfs/dbraw/zinc/43/34/52/653433452.db2.gz FLCXZNYIGGGEAT-UHFFFAOYSA-N 2 2 385.302 2.124 20 0 GEADLP COC(=O)c1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1Br ZINC000876512091 653433455 /nfs/dbraw/zinc/43/34/55/653433455.db2.gz FLCXZNYIGGGEAT-UHFFFAOYSA-N 2 2 385.302 2.124 20 0 GEADLP ClC1(Cl)C[C@H]1C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000877009815 653459952 /nfs/dbraw/zinc/45/99/52/653459952.db2.gz BDHNWANOVSAURK-KBPBESRZSA-N 2 2 386.327 2.065 20 0 GEADLP Cn1nc(Br)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000785476357 653709780 /nfs/dbraw/zinc/70/97/80/653709780.db2.gz YCFUXLYOJJTDIF-NVXWUHKLSA-N 2 2 393.329 2.155 20 0 GEADLP Cn1nc(Br)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000785476357 653709782 /nfs/dbraw/zinc/70/97/82/653709782.db2.gz YCFUXLYOJJTDIF-NVXWUHKLSA-N 2 2 393.329 2.155 20 0 GEADLP C[NH+]1CCN(c2ccc(NC[C@H](O)C[NH+]3CCCC3)cc2Br)CC1 ZINC000863558962 653715609 /nfs/dbraw/zinc/71/56/09/653715609.db2.gz CCICNFGZRUURKT-INIZCTEOSA-N 2 2 397.361 2.070 20 0 GEADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000842676854 653762553 /nfs/dbraw/zinc/76/25/53/653762553.db2.gz OHFJYWVYQCECGL-LLVKDONJSA-N 2 2 389.725 2.175 20 0 GEADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000842676854 653762555 /nfs/dbraw/zinc/76/25/55/653762555.db2.gz OHFJYWVYQCECGL-LLVKDONJSA-N 2 2 389.725 2.175 20 0 GEADLP C[C@@H]1C[NH+](CCCCCC[NH+]2C[C@H](C)S(=O)[C@@H](C)C2)C[C@@H](C)S1=O ZINC000792387115 653840997 /nfs/dbraw/zinc/84/09/97/653840997.db2.gz BUAMFHWLGJJDGV-BALXVJCKSA-N 2 2 376.632 2.229 20 0 GEADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000846778743 653910437 /nfs/dbraw/zinc/91/04/37/653910437.db2.gz JXNWTAXOPPSVJD-QZTJIDSGSA-N 2 2 385.346 2.395 20 0 GEADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000846778743 653910439 /nfs/dbraw/zinc/91/04/39/653910439.db2.gz JXNWTAXOPPSVJD-QZTJIDSGSA-N 2 2 385.346 2.395 20 0 GEADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000846778743 653910445 /nfs/dbraw/zinc/91/04/45/653910445.db2.gz JXNWTAXOPPSVJD-QZTJIDSGSA-N 2 2 385.346 2.395 20 0 GEADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000846778743 653910447 /nfs/dbraw/zinc/91/04/47/653910447.db2.gz JXNWTAXOPPSVJD-QZTJIDSGSA-N 2 2 385.346 2.395 20 0 GEADLP C[NH+](C)C1CC[NH+](CCNc2ccc(Br)cc2-c2nn[nH]n2)CC1 ZINC000825856114 653942550 /nfs/dbraw/zinc/94/25/50/653942550.db2.gz OETLNOXEJPARAC-UHFFFAOYSA-N 2 2 394.321 2.067 20 0 GEADLP C[C@@H](CNC(=O)[C@H]([NH3+])c1cccc(Br)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000867984229 654013122 /nfs/dbraw/zinc/01/31/22/654013122.db2.gz VNHXJOZRCWHNRE-BCUIYNNISA-N 2 2 384.318 2.063 20 0 GEADLP C[C@@H](CNC(=O)[C@H]([NH3+])c1cccc(Br)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000867984229 654013124 /nfs/dbraw/zinc/01/31/24/654013124.db2.gz VNHXJOZRCWHNRE-BCUIYNNISA-N 2 2 384.318 2.063 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1nc(Br)sc1Cl ZINC000869244359 654080690 /nfs/dbraw/zinc/08/06/90/654080690.db2.gz XLAZNKGKNHEIGZ-UHFFFAOYSA-N 2 2 383.743 2.172 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1nc(Br)sc1Cl ZINC000869244359 654080694 /nfs/dbraw/zinc/08/06/94/654080694.db2.gz XLAZNKGKNHEIGZ-UHFFFAOYSA-N 2 2 383.743 2.172 20 0 GEADLP C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000850518210 654080826 /nfs/dbraw/zinc/08/08/26/654080826.db2.gz COAWHKZEXBGRMJ-GOEBONIOSA-N 2 2 378.460 2.464 20 0 GEADLP C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850518210 654080831 /nfs/dbraw/zinc/08/08/31/654080831.db2.gz COAWHKZEXBGRMJ-GOEBONIOSA-N 2 2 378.460 2.464 20 0 GEADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C[C@H](C)O1 ZINC000870926196 654208465 /nfs/dbraw/zinc/20/84/65/654208465.db2.gz WDBHDRFRRJQYHX-ZENOOKHLSA-N 2 2 384.318 2.017 20 0 GEADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C[C@H](C)O1 ZINC000870926196 654208471 /nfs/dbraw/zinc/20/84/71/654208471.db2.gz WDBHDRFRRJQYHX-ZENOOKHLSA-N 2 2 384.318 2.017 20 0 GEADLP Brc1ncn(CC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000851997561 654211682 /nfs/dbraw/zinc/21/16/82/654211682.db2.gz LETNHJXWTKPUPP-UHFFFAOYSA-N 2 2 379.306 2.453 20 0 GEADLP C[NH+](C)C[C@@H](NC(=S)NCCC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000802720719 654236189 /nfs/dbraw/zinc/23/61/89/654236189.db2.gz LOWDDEYJHKVTJW-QGZVFWFLSA-N 2 2 384.977 2.129 20 0 GEADLP Cc1cccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1Cl ZINC000903561049 654256225 /nfs/dbraw/zinc/25/62/25/654256225.db2.gz DFMOJYGMSNBKNO-IYBDPMFKSA-N 2 2 383.945 2.238 20 0 GEADLP Cc1cccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1Cl ZINC000903561049 654256235 /nfs/dbraw/zinc/25/62/35/654256235.db2.gz DFMOJYGMSNBKNO-IYBDPMFKSA-N 2 2 383.945 2.238 20 0 GEADLP C[NH+]1CCN([C@H](C[NH2+]Cc2nc(Br)c[nH]2)c2cccs2)CC1 ZINC000921472176 654272215 /nfs/dbraw/zinc/27/22/15/654272215.db2.gz YMCXYNMWPXQPFU-GFCCVEGCSA-N 2 2 384.347 2.312 20 0 GEADLP C[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@@H](CO)c1cccc(Br)c1 ZINC000903897669 654291105 /nfs/dbraw/zinc/29/11/05/654291105.db2.gz IGPXBCFVOZIQDT-WBVHZDCISA-N 2 2 394.317 2.131 20 0 GEADLP C[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@@H](CO)c1cccc(Br)c1 ZINC000903897669 654291107 /nfs/dbraw/zinc/29/11/07/654291107.db2.gz IGPXBCFVOZIQDT-WBVHZDCISA-N 2 2 394.317 2.131 20 0 GEADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872152318 654315024 /nfs/dbraw/zinc/31/50/24/654315024.db2.gz OURIQIKRMXZOJU-DHSIGJKJSA-N 2 2 380.330 2.337 20 0 GEADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872152318 654315029 /nfs/dbraw/zinc/31/50/29/654315029.db2.gz OURIQIKRMXZOJU-DHSIGJKJSA-N 2 2 380.330 2.337 20 0 GEADLP CCO[C@@H](C[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F)C[NH+](C)C ZINC000905580332 654367445 /nfs/dbraw/zinc/36/74/45/654367445.db2.gz OHIAFXAYLHEJKW-XJKSGUPXSA-N 2 2 377.298 2.352 20 0 GEADLP COC(=O)c1cc(Br)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000923332337 654444894 /nfs/dbraw/zinc/44/48/94/654444894.db2.gz LEZGVLKORDFYKF-ZBINZKHDSA-N 2 2 383.286 2.413 20 0 GEADLP COC(=O)c1cc(Br)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000923332337 654444897 /nfs/dbraw/zinc/44/48/97/654444897.db2.gz LEZGVLKORDFYKF-ZBINZKHDSA-N 2 2 383.286 2.413 20 0 GEADLP CC(C)n1cc(Br)c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000906661671 654457722 /nfs/dbraw/zinc/45/77/22/654457722.db2.gz SLDXYCSZGBTKDZ-CYBMUJFWSA-N 2 2 398.349 2.125 20 0 GEADLP CC(C)n1cc(Br)c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000906661671 654457726 /nfs/dbraw/zinc/45/77/26/654457726.db2.gz SLDXYCSZGBTKDZ-CYBMUJFWSA-N 2 2 398.349 2.125 20 0 GEADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCc3cnc(Cl)s3)CC2)CC1 ZINC000923683589 654476262 /nfs/dbraw/zinc/47/62/62/654476262.db2.gz KHNTYQKVOHVLMB-UHFFFAOYSA-N 2 2 385.965 2.498 20 0 GEADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCc3cnc(Cl)s3)CC2)CC1 ZINC000923683589 654476265 /nfs/dbraw/zinc/47/62/65/654476265.db2.gz KHNTYQKVOHVLMB-UHFFFAOYSA-N 2 2 385.965 2.498 20 0 GEADLP O=S(=O)(c1ccc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)s1)N1CCCCC1 ZINC000925524820 654545808 /nfs/dbraw/zinc/54/58/08/654545808.db2.gz ZYJHVVYEGJPQBY-INIZCTEOSA-N 2 2 383.583 2.339 20 0 GEADLP [NH3+][C@@H]1CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C[C@H]1C(F)(F)F ZINC000925916577 654553325 /nfs/dbraw/zinc/55/33/25/654553325.db2.gz SJNODGGGFNDNGG-VXGBXAGGSA-N 2 2 377.436 2.482 20 0 GEADLP Cc1c(NC(=O)NCC[NH+]2CCC([NH3+])CC2)cnc(Cl)c1Br ZINC000926093254 654558637 /nfs/dbraw/zinc/55/86/37/654558637.db2.gz PHAXYQYMLATYBQ-UHFFFAOYSA-N 2 2 390.713 2.351 20 0 GEADLP CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)Cc1c[nH]c[nH+]1 ZINC000911313888 654722144 /nfs/dbraw/zinc/72/21/44/654722144.db2.gz WNYIQBMWAKGMNY-UHFFFAOYSA-N 2 2 380.290 2.351 20 0 GEADLP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)Nc3cccc(I)c3)C[C@@H]2C1 ZINC000931433534 654742287 /nfs/dbraw/zinc/74/22/87/654742287.db2.gz CGRBQEYGACGDNQ-OLZOCXBDSA-N 2 2 399.276 2.113 20 0 GEADLP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)Nc3cccc(I)c3)C[C@@H]2C1 ZINC000931433534 654742290 /nfs/dbraw/zinc/74/22/90/654742290.db2.gz CGRBQEYGACGDNQ-OLZOCXBDSA-N 2 2 399.276 2.113 20 0 GEADLP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)Nc3cccc(I)c3)C[C@@H]2C1 ZINC000931433534 654742292 /nfs/dbraw/zinc/74/22/92/654742292.db2.gz CGRBQEYGACGDNQ-OLZOCXBDSA-N 2 2 399.276 2.113 20 0 GEADLP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)Nc3cccc(I)c3)C[C@@H]2C1 ZINC000931433534 654742294 /nfs/dbraw/zinc/74/22/94/654742294.db2.gz CGRBQEYGACGDNQ-OLZOCXBDSA-N 2 2 399.276 2.113 20 0 GEADLP C[NH+](C)CC1(O)CC[NH+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000931482690 654743689 /nfs/dbraw/zinc/74/36/89/654743689.db2.gz MPEVDPPUFPBAGE-UHFFFAOYSA-N 2 2 384.311 2.463 20 0 GEADLP Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnc1Br ZINC000932623425 654783808 /nfs/dbraw/zinc/78/38/08/654783808.db2.gz XEQWPCXROUWMDT-AWEZNQCLSA-N 2 2 381.318 2.051 20 0 GEADLP Cc1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnc1Br ZINC000932623425 654783811 /nfs/dbraw/zinc/78/38/11/654783811.db2.gz XEQWPCXROUWMDT-AWEZNQCLSA-N 2 2 381.318 2.051 20 0 GEADLP CC(C)Oc1ncnc2c1CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164694840 719790129 /nfs/dbraw/zinc/79/01/29/719790129.db2.gz IOLQPCALPSABOS-UHFFFAOYSA-N 2 2 382.512 2.016 20 0 GEADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C2 ZINC001164814342 720137577 /nfs/dbraw/zinc/13/75/77/720137577.db2.gz RUBRXAYRTVUXFO-REWPJTCUSA-N 3 2 399.583 2.018 20 0 GEADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C2 ZINC001164814342 720137589 /nfs/dbraw/zinc/13/75/89/720137589.db2.gz RUBRXAYRTVUXFO-REWPJTCUSA-N 3 2 399.583 2.018 20 0 GEADLP Cc1nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c2c([nH+]1)CCC2 ZINC001164828480 720332728 /nfs/dbraw/zinc/33/27/28/720332728.db2.gz JTURGOYYIYKCJO-WOJBJXKFSA-N 2 2 383.540 2.185 20 0 GEADLP COc1cc(C)c[nH+]c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743115 720841114 /nfs/dbraw/zinc/84/11/14/720841114.db2.gz IPQRGJKPVQXMKA-GBESFXJTSA-N 2 2 382.512 2.370 20 0 GEADLP COc1cc(C)c[nH+]c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743115 720841116 /nfs/dbraw/zinc/84/11/16/720841116.db2.gz IPQRGJKPVQXMKA-GBESFXJTSA-N 2 2 382.512 2.370 20 0 GEADLP CCSc1cc[nH+]c(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c1 ZINC001164754734 720967771 /nfs/dbraw/zinc/96/77/71/720967771.db2.gz WISBCFDENXJWAO-UHFFFAOYSA-N 2 2 375.498 2.036 20 0 GEADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)[C@@H]2C ZINC001164860675 720980381 /nfs/dbraw/zinc/98/03/81/720980381.db2.gz PIGGHVGWDHWXII-MRXNPFEDSA-N 3 2 398.559 2.022 20 0 GEADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)[C@@H]2C ZINC001164860675 720980388 /nfs/dbraw/zinc/98/03/88/720980388.db2.gz PIGGHVGWDHWXII-MRXNPFEDSA-N 3 2 398.559 2.022 20 0 GEADLP Cc1cc(N2CCCC2)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)[nH+]1 ZINC001164869221 721041446 /nfs/dbraw/zinc/04/14/46/721041446.db2.gz SIQBQMMCXIRMBE-VQTJNVASSA-N 2 2 394.523 2.260 20 0 GEADLP Cc1cc(N2CCCC2)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)[nH+]1 ZINC001164869221 721041452 /nfs/dbraw/zinc/04/14/52/721041452.db2.gz SIQBQMMCXIRMBE-VQTJNVASSA-N 2 2 394.523 2.260 20 0 GEADLP Cc1nc(N2CCCC2)cc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)[nH+]1 ZINC001164762601 721081460 /nfs/dbraw/zinc/08/14/60/721081460.db2.gz FESBFXASQDADRT-RTBURBONSA-N 2 2 381.528 2.077 20 0 GEADLP Cc1nc(N2CCCC2)cc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)[nH+]1 ZINC001164762601 721081467 /nfs/dbraw/zinc/08/14/67/721081467.db2.gz FESBFXASQDADRT-RTBURBONSA-N 2 2 381.528 2.077 20 0 GEADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(N5CCCCC5)[nH+]cn4)C[C@@H]3C2)cn1 ZINC001164765023 721194916 /nfs/dbraw/zinc/19/49/16/721194916.db2.gz HNACTAAUGYPITF-MOPGFXCFSA-N 2 2 381.528 2.159 20 0 GEADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(N5CCCCC5)[nH+]cn4)C[C@@H]3C2)cn1 ZINC001164765023 721194924 /nfs/dbraw/zinc/19/49/24/721194924.db2.gz HNACTAAUGYPITF-MOPGFXCFSA-N 2 2 381.528 2.159 20 0 GEADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@@H]3CC(=O)N4c3ccsc3)[nH+]2)CC1 ZINC001164881294 721357140 /nfs/dbraw/zinc/35/71/40/721357140.db2.gz AZSYDDLEVGNPJB-SJORKVTESA-N 2 2 383.521 2.279 20 0 GEADLP COc1ccc2c(cc[nH+]c2N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)c1 ZINC001164794144 721510890 /nfs/dbraw/zinc/51/08/90/721510890.db2.gz HKAJPRHBXUBCPX-UHFFFAOYSA-N 2 2 392.507 2.208 20 0 GEADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3c2C[NH2+]C3)CC1 ZINC001165019380 721839881 /nfs/dbraw/zinc/83/98/81/721839881.db2.gz FGZMUXQKSADYTQ-UHFFFAOYSA-N 2 2 383.496 2.198 20 0 GEADLP c1ccc(C[N@@H+]2CCc3ncnc(N4CC[NH+](C[C@@H]5CCCO5)CC4)c3C2)cc1 ZINC001165036684 721902919 /nfs/dbraw/zinc/90/29/19/721902919.db2.gz IWQMWPXWUFRNQJ-FQEVSTJZSA-N 2 2 393.535 2.336 20 0 GEADLP c1ccc(C[N@H+]2CCc3ncnc(N4CC[NH+](C[C@@H]5CCCO5)CC4)c3C2)cc1 ZINC001165036684 721902922 /nfs/dbraw/zinc/90/29/22/721902922.db2.gz IWQMWPXWUFRNQJ-FQEVSTJZSA-N 2 2 393.535 2.336 20 0 GEADLP c1ccc(C[N@H+]2CCc3c(ncnc3N3CC[NH+](C[C@@H]4CCCO4)CC3)C2)cc1 ZINC001165038093 721907693 /nfs/dbraw/zinc/90/76/93/721907693.db2.gz JOOYDFODWMIZPF-FQEVSTJZSA-N 2 2 393.535 2.336 20 0 GEADLP c1ccc(C[N@@H+]2CCc3c(ncnc3N3CC[NH+](C[C@@H]4CCCO4)CC3)C2)cc1 ZINC001165038093 721907697 /nfs/dbraw/zinc/90/76/97/721907697.db2.gz JOOYDFODWMIZPF-FQEVSTJZSA-N 2 2 393.535 2.336 20 0 GEADLP CN(C)c1cccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)[nH+]1 ZINC001164945877 721969978 /nfs/dbraw/zinc/96/99/78/721969978.db2.gz UJCYKMMXJJYYLD-UHFFFAOYSA-N 2 2 379.508 2.119 20 0 GEADLP CN(C)c1cccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)[nH+]1 ZINC001164945877 721969979 /nfs/dbraw/zinc/96/99/79/721969979.db2.gz UJCYKMMXJJYYLD-UHFFFAOYSA-N 2 2 379.508 2.119 20 0 GEADLP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4nc(NC5CC5)cc[nH+]4)CC[C@@H]3C2)c1 ZINC001164976318 722099003 /nfs/dbraw/zinc/09/90/03/722099003.db2.gz COBVKBUECOULTJ-IEBWSBKVSA-N 2 2 380.496 2.173 20 0 GEADLP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4nc(NC5CC5)cc[nH+]4)CC[C@@H]3C2)c1 ZINC001164976318 722099004 /nfs/dbraw/zinc/09/90/04/722099004.db2.gz COBVKBUECOULTJ-IEBWSBKVSA-N 2 2 380.496 2.173 20 0 GEADLP CCN(CC)c1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc[nH+]1 ZINC001164976046 722130852 /nfs/dbraw/zinc/13/08/52/722130852.db2.gz GTVAMMAYJKYSLH-PMACEKPBSA-N 2 2 396.539 2.445 20 0 GEADLP CCN(CC)c1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc[nH+]1 ZINC001164976046 722130854 /nfs/dbraw/zinc/13/08/54/722130854.db2.gz GTVAMMAYJKYSLH-PMACEKPBSA-N 2 2 396.539 2.445 20 0 GEADLP C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1ccc(Br)cc1 ZINC000061781378 531854422 /nfs/dbraw/zinc/85/44/22/531854422.db2.gz MOKQVKYAIWIFSC-UHFFFAOYSA-N 2 2 398.345 2.108 20 0 GEADLP C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1ccc(Br)cc1 ZINC000061781378 531854432 /nfs/dbraw/zinc/85/44/32/531854432.db2.gz MOKQVKYAIWIFSC-UHFFFAOYSA-N 2 2 398.345 2.108 20 0 GEADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc2c(cc1Br)OCCO2 ZINC000174713689 532074513 /nfs/dbraw/zinc/07/45/13/532074513.db2.gz VCQIVYUFTVLVBK-UHFFFAOYSA-N 2 2 398.345 2.290 20 0 GEADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc2c(cc1Br)OCCO2 ZINC000174713689 532074518 /nfs/dbraw/zinc/07/45/18/532074518.db2.gz VCQIVYUFTVLVBK-UHFFFAOYSA-N 2 2 398.345 2.290 20 0 GEADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000123663453 532105121 /nfs/dbraw/zinc/10/51/21/532105121.db2.gz VKPUWXJPTXYLGB-CYBMUJFWSA-N 2 2 392.301 2.471 20 0 GEADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000123663453 532105125 /nfs/dbraw/zinc/10/51/25/532105125.db2.gz VKPUWXJPTXYLGB-CYBMUJFWSA-N 2 2 392.301 2.471 20 0 GEADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2ccc(Br)cc2)CC1 ZINC000175743704 532113058 /nfs/dbraw/zinc/11/30/58/532113058.db2.gz YHGXCSZVGMUADC-UHFFFAOYSA-N 2 2 383.334 2.274 20 0 GEADLP Cc1nc(Br)ccc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000181299265 532295008 /nfs/dbraw/zinc/29/50/08/532295008.db2.gz DRRBYTKOEMRLIF-UHFFFAOYSA-N 2 2 384.322 2.300 20 0 GEADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000182962929 532320179 /nfs/dbraw/zinc/32/01/79/532320179.db2.gz HYLAXFDFBNEQHA-UHFFFAOYSA-N 2 2 398.305 2.161 20 0 GEADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000182962929 532320180 /nfs/dbraw/zinc/32/01/80/532320180.db2.gz HYLAXFDFBNEQHA-UHFFFAOYSA-N 2 2 398.305 2.161 20 0 GEADLP C[C@H](C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)N1CC[NH+](C)CC1 ZINC000183733872 532328252 /nfs/dbraw/zinc/32/82/52/532328252.db2.gz BGGFSTGNBOIRGH-CYBMUJFWSA-N 2 2 383.327 2.300 20 0 GEADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000653072419 532529609 /nfs/dbraw/zinc/52/96/09/532529609.db2.gz QVODZCZIFWENJL-GJZGRUSLSA-N 2 2 387.311 2.202 20 0 GEADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000653087486 532531067 /nfs/dbraw/zinc/53/10/67/532531067.db2.gz YORPOSFLYDJYTE-LSDHHAIUSA-N 2 2 378.275 2.311 20 0 GEADLP C[NH+](C)CC[C@@H](N)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000653153545 532531963 /nfs/dbraw/zinc/53/19/63/532531963.db2.gz SJKCXLBOEIRBDY-QGZVFWFLSA-N 2 2 387.355 2.353 20 0 GEADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000653153545 532531971 /nfs/dbraw/zinc/53/19/71/532531971.db2.gz SJKCXLBOEIRBDY-QGZVFWFLSA-N 3 2 387.355 2.353 20 0 GEADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000433307970 532562026 /nfs/dbraw/zinc/56/20/26/532562026.db2.gz XAIUEEQQLKMDOH-MRXNPFEDSA-N 2 2 380.330 2.088 20 0 GEADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000433307970 532562038 /nfs/dbraw/zinc/56/20/38/532562038.db2.gz XAIUEEQQLKMDOH-MRXNPFEDSA-N 2 2 380.330 2.088 20 0 GEADLP Cn1cc(Br)c(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000432842469 532547439 /nfs/dbraw/zinc/54/74/39/532547439.db2.gz ZCZDERTVGYZJAK-UHFFFAOYSA-N 2 2 384.366 2.032 20 0 GEADLP COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2c[nH+]c(C)n2C)c1 ZINC000566497125 532613599 /nfs/dbraw/zinc/61/35/99/532613599.db2.gz SIHDRIHHHKFJIS-UHFFFAOYSA-N 2 2 395.301 2.409 20 0 GEADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000567167519 532642760 /nfs/dbraw/zinc/64/27/60/532642760.db2.gz ZQJWUNQHDZHQKS-UPJWGTAASA-N 2 2 399.276 2.160 20 0 GEADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000567167519 532642765 /nfs/dbraw/zinc/64/27/65/532642765.db2.gz ZQJWUNQHDZHQKS-UPJWGTAASA-N 2 2 399.276 2.160 20 0 GEADLP C[N@H+](CCCO)C1CCN(Cc2cn3cc(Br)ccc3[nH+]2)CC1 ZINC000604388961 532700246 /nfs/dbraw/zinc/70/02/46/532700246.db2.gz MSSUCDSJFYIECG-UHFFFAOYSA-N 2 2 381.318 2.375 20 0 GEADLP C[N@@H+](CCCO)C1CCN(Cc2cn3cc(Br)ccc3[nH+]2)CC1 ZINC000604388961 532700252 /nfs/dbraw/zinc/70/02/52/532700252.db2.gz MSSUCDSJFYIECG-UHFFFAOYSA-N 2 2 381.318 2.375 20 0 GEADLP O=C(C[C@@H]1COCC[NH2+]1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000285800439 532709283 /nfs/dbraw/zinc/70/92/83/532709283.db2.gz QCJSZOVUBWUBEX-OAHLLOKOSA-N 2 2 386.323 2.453 20 0 GEADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@@]3([NH+](C)C)CCSC3)cn2c1 ZINC000267361190 532741200 /nfs/dbraw/zinc/74/12/00/532741200.db2.gz WKJVCDSWQBKWGJ-SFHVURJKSA-N 2 2 378.567 2.429 20 0 GEADLP CN(C[C@@H](O)C[NH+]1CCOCC1)c1cc[nH+]c2cc(Br)ccc21 ZINC000301592642 532754970 /nfs/dbraw/zinc/75/49/70/532754970.db2.gz UKPKFWBPABIRII-CQSZACIVSA-N 2 2 380.286 2.127 20 0 GEADLP CN(C[C@@H](O)C[NH+]1CCOCC1)c1cc[nH+]c2ccc(Br)cc21 ZINC000301573142 532755194 /nfs/dbraw/zinc/75/51/94/532755194.db2.gz MWNUAHNBDRZTOH-CQSZACIVSA-N 2 2 380.286 2.127 20 0 GEADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000581006823 532753460 /nfs/dbraw/zinc/75/34/60/532753460.db2.gz RTNIARMXQYIELK-KBPBESRZSA-N 2 2 377.312 2.434 20 0 GEADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000581006823 532753462 /nfs/dbraw/zinc/75/34/62/532753462.db2.gz RTNIARMXQYIELK-KBPBESRZSA-N 2 2 377.312 2.434 20 0 GEADLP CC(CC[NH+]1C[C@H](C)S(=O)[C@@H](C)C1)CC[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000411625350 532771263 /nfs/dbraw/zinc/77/12/63/532771263.db2.gz VYFOSJHMAWUQGI-XSLAGTTESA-N 2 2 376.632 2.085 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)COc1ccccc1Br ZINC000270632948 532800040 /nfs/dbraw/zinc/80/00/40/532800040.db2.gz DMFOJSZHBYKSBE-UHFFFAOYSA-N 2 2 398.345 2.312 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)COc1ccccc1Br ZINC000270632948 532800043 /nfs/dbraw/zinc/80/00/43/532800043.db2.gz DMFOJSZHBYKSBE-UHFFFAOYSA-N 2 2 398.345 2.312 20 0 GEADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000414125110 532819308 /nfs/dbraw/zinc/81/93/08/532819308.db2.gz MCBHNNOCWNJWFD-VIFPVBQESA-N 2 2 377.297 2.268 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)NC3CC[NH+](C)CC3)[nH+]c12 ZINC000273248322 532821099 /nfs/dbraw/zinc/82/10/99/532821099.db2.gz GSYVMOKJKDVJFY-UHFFFAOYSA-N 2 2 394.317 2.341 20 0 GEADLP COCCN1CC[C@H]([NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000273410872 532823473 /nfs/dbraw/zinc/82/34/73/532823473.db2.gz HUSFEWPTHYOLKY-HNNXBMFYSA-N 2 2 381.318 2.258 20 0 GEADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415091037 532837902 /nfs/dbraw/zinc/83/79/02/532837902.db2.gz BMQCOGJSOCIAER-MRXNPFEDSA-N 2 2 379.302 2.330 20 0 GEADLP [NH3+][C@@H]1CCC[C@H](NC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000333276788 532866285 /nfs/dbraw/zinc/86/62/85/532866285.db2.gz GXYHIQNVZHSZFS-NEPJUHHUSA-N 2 2 398.305 2.072 20 0 GEADLP C[N@@H+]1CCN(CC[NH2+]Cc2nc3ccccn3c2Br)CC1(C)C ZINC000289850639 532866621 /nfs/dbraw/zinc/86/66/21/532866621.db2.gz VKQMYRAXLPCRNA-UHFFFAOYSA-N 2 2 380.334 2.212 20 0 GEADLP C[N@H+]1CCN(CC[NH2+]Cc2nc3ccccn3c2Br)CC1(C)C ZINC000289850639 532866624 /nfs/dbraw/zinc/86/66/24/532866624.db2.gz VKQMYRAXLPCRNA-UHFFFAOYSA-N 2 2 380.334 2.212 20 0 GEADLP Cc1nn(C)c(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1Br ZINC000333356249 532867719 /nfs/dbraw/zinc/86/77/19/532867719.db2.gz WSEKGEZGBLCGDM-HOCLYGCPSA-N 2 2 385.350 2.349 20 0 GEADLP C[C@@H]1CC2(C[N@@H+]1Cc1nnnn1-c1ccccc1Br)CC[NH2+]CC2 ZINC000333575170 532871252 /nfs/dbraw/zinc/87/12/52/532871252.db2.gz MZCHIUXBMPFPON-CYBMUJFWSA-N 2 2 391.317 2.389 20 0 GEADLP C[C@@H]1CC2(C[N@H+]1Cc1nnnn1-c1ccccc1Br)CC[NH2+]CC2 ZINC000333575170 532871255 /nfs/dbraw/zinc/87/12/55/532871255.db2.gz MZCHIUXBMPFPON-CYBMUJFWSA-N 2 2 391.317 2.389 20 0 GEADLP [NH3+][C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)c2ccccc21 ZINC000423098020 532894174 /nfs/dbraw/zinc/89/41/74/532894174.db2.gz JQDNBWVRKQVEKJ-JKSUJKDBSA-N 2 2 383.876 2.492 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3cccc(Br)c3)C2)CC1 ZINC000365258385 532909239 /nfs/dbraw/zinc/90/92/39/532909239.db2.gz FDMTXLZEWOFZMD-INIZCTEOSA-N 2 2 395.345 2.417 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3cccc(Br)c3)C2)CC1 ZINC000365258385 532909241 /nfs/dbraw/zinc/90/92/41/532909241.db2.gz FDMTXLZEWOFZMD-INIZCTEOSA-N 2 2 395.345 2.417 20 0 GEADLP C[C@@H]1C[N@H+](C[C@@H](O)c2cccc(Br)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367031946 532922444 /nfs/dbraw/zinc/92/24/44/532922444.db2.gz XUYKMWOVTKPKRT-AYOQOUSVSA-N 2 2 396.373 2.440 20 0 GEADLP C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc(Br)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367031946 532922446 /nfs/dbraw/zinc/92/24/46/532922446.db2.gz XUYKMWOVTKPKRT-AYOQOUSVSA-N 2 2 396.373 2.440 20 0 GEADLP C[C@@H](c1ncc(Br)cn1)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367846870 532927918 /nfs/dbraw/zinc/92/79/18/532927918.db2.gz GODCYUIHRSJLON-XJKSGUPXSA-N 2 2 382.350 2.400 20 0 GEADLP C[C@@H](c1ncc(Br)cn1)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367846870 532927919 /nfs/dbraw/zinc/92/79/19/532927919.db2.gz GODCYUIHRSJLON-XJKSGUPXSA-N 2 2 382.350 2.400 20 0 GEADLP C[C@H](c1ncc(Br)cn1)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367875385 532928256 /nfs/dbraw/zinc/92/82/56/532928256.db2.gz TXQNQUYIONGIQA-UONOGXRCSA-N 2 2 382.350 2.400 20 0 GEADLP C[C@H](c1ncc(Br)cn1)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367875385 532928258 /nfs/dbraw/zinc/92/82/58/532928258.db2.gz TXQNQUYIONGIQA-UONOGXRCSA-N 2 2 382.350 2.400 20 0 GEADLP C[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccc(Br)cn1 ZINC000368440098 532932588 /nfs/dbraw/zinc/93/25/88/532932588.db2.gz AKLBSONCJXRARC-HNNXBMFYSA-N 2 2 397.361 2.291 20 0 GEADLP C[C@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)c1ccc(Br)cn1 ZINC000368440098 532932589 /nfs/dbraw/zinc/93/25/89/532932589.db2.gz AKLBSONCJXRARC-HNNXBMFYSA-N 2 2 397.361 2.291 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3ccccc3Br)C2)CC1 ZINC000369277079 532937908 /nfs/dbraw/zinc/93/79/08/532937908.db2.gz JSQBMOGWESTAMZ-OAHLLOKOSA-N 2 2 380.330 2.276 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3ccccc3Br)C2)CC1 ZINC000369277079 532937909 /nfs/dbraw/zinc/93/79/09/532937909.db2.gz JSQBMOGWESTAMZ-OAHLLOKOSA-N 2 2 380.330 2.276 20 0 GEADLP Brc1sccc1C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000370021554 532941944 /nfs/dbraw/zinc/94/19/44/532941944.db2.gz QXGDYVMZVNUZGT-UHFFFAOYSA-N 2 2 388.375 2.397 20 0 GEADLP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@@H](C)[NH+]3CCSCC3)[C@H](C)C2)s1 ZINC000371018030 532946538 /nfs/dbraw/zinc/94/65/38/532946538.db2.gz VMCHRVUEQOTEHF-CPUCHLNUSA-N 2 2 382.599 2.215 20 0 GEADLP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](C)[NH+]3CCSCC3)[C@H](C)C2)s1 ZINC000371018030 532946539 /nfs/dbraw/zinc/94/65/39/532946539.db2.gz VMCHRVUEQOTEHF-CPUCHLNUSA-N 2 2 382.599 2.215 20 0 GEADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[C@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000822195117 599051280 /nfs/dbraw/zinc/05/12/80/599051280.db2.gz HVNSUZADGWPAEP-MRXNPFEDSA-N 2 2 393.495 2.190 20 0 GEADLP Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3cc[nH+]c3C)C2)c(-c2nn[nH]n2)c1C ZINC000737547349 598368765 /nfs/dbraw/zinc/36/87/65/598368765.db2.gz KBIUBXQFXJFNNC-IUODEOHRSA-N 2 2 398.471 2.246 20 0 GEADLP Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3cc[nH+]c3C)C2)c(-c2nn[nH]n2)c1C ZINC000737547349 598368767 /nfs/dbraw/zinc/36/87/67/598368767.db2.gz KBIUBXQFXJFNNC-IUODEOHRSA-N 2 2 398.471 2.246 20 0 GEADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)[C@@H](C)C1 ZINC000821378974 607057816 /nfs/dbraw/zinc/05/78/16/607057816.db2.gz YWRKQPAGFLVRLR-KBXCAEBGSA-N 2 2 376.480 2.232 20 0 GEADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)[C@@H](C)C1 ZINC000821378974 607057818 /nfs/dbraw/zinc/05/78/18/607057818.db2.gz YWRKQPAGFLVRLR-KBXCAEBGSA-N 2 2 376.480 2.232 20 0 GEADLP Cc1cccc2c(NCCCC[NH+]3C[C@@H](C)O[C@H](C)C3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822335207 607173893 /nfs/dbraw/zinc/17/38/93/607173893.db2.gz JAHWYXUYEUSZRB-HZPDHXFCSA-N 2 2 395.511 2.447 20 0 GEADLP C[NH+](C)C1CCN(c2ccc(NCc3cccc(-c4nn[nH]n4)c3)[nH+]c2)CC1 ZINC000821583355 607229836 /nfs/dbraw/zinc/22/98/36/607229836.db2.gz SBGZYNGXGFJBNG-UHFFFAOYSA-N 2 2 378.484 2.404 20 0 GEADLP C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000819867974 607236053 /nfs/dbraw/zinc/23/60/53/607236053.db2.gz WDDYXQWCYNKAKY-GFCCVEGCSA-N 2 2 388.863 2.066 20 0 GEADLP C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000819867974 607236054 /nfs/dbraw/zinc/23/60/54/607236054.db2.gz WDDYXQWCYNKAKY-GFCCVEGCSA-N 2 2 388.863 2.066 20 0 GEADLP Cc1nn(-c2ccccc2)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1-c1nn[nH]n1 ZINC000826332049 608314687 /nfs/dbraw/zinc/31/46/87/608314687.db2.gz IEFMKJRWGSNSHO-UHFFFAOYSA-N 2 2 389.467 2.394 20 0 GEADLP C[N@@H+]1CCC[C@@H](CNc2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000826028526 608379367 /nfs/dbraw/zinc/37/93/67/608379367.db2.gz BRQIEDFXAUVKDP-NSHDSACASA-N 2 2 389.410 2.192 20 0 GEADLP C[N@H+]1CCC[C@@H](CNc2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000826028526 608379369 /nfs/dbraw/zinc/37/93/69/608379369.db2.gz BRQIEDFXAUVKDP-NSHDSACASA-N 2 2 389.410 2.192 20 0 GEADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824545578 609343564 /nfs/dbraw/zinc/34/35/64/609343564.db2.gz DDGIKPRZNMKKQR-BKTGTZMESA-N 2 2 388.491 2.424 20 0 GEADLP Brc1cccc(CC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)c1 ZINC000459650286 650429753 /nfs/dbraw/zinc/42/97/53/650429753.db2.gz XJQMUGOKBSJVSZ-UHFFFAOYSA-N 2 2 396.373 2.378 20 0 GEADLP Brc1cccc(CC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)c1 ZINC000459650286 650429754 /nfs/dbraw/zinc/42/97/54/650429754.db2.gz XJQMUGOKBSJVSZ-UHFFFAOYSA-N 2 2 396.373 2.378 20 0 GEADLP OCC[NH+]1CCN(CCCC[NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000510716262 650517838 /nfs/dbraw/zinc/51/78/38/650517838.db2.gz FGPUULZKBOOMRA-LJQANCHMSA-N 2 2 396.373 2.416 20 0 GEADLP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000513016710 650556775 /nfs/dbraw/zinc/55/67/75/650556775.db2.gz LAMBLWRPBHQCNQ-UHFFFAOYSA-N 2 2 382.917 2.178 20 0 GEADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000514946185 650584276 /nfs/dbraw/zinc/58/42/76/650584276.db2.gz CLNMNMXJNDFZBI-OAHLLOKOSA-N 2 2 398.345 2.412 20 0 GEADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000514946185 650584278 /nfs/dbraw/zinc/58/42/78/650584278.db2.gz CLNMNMXJNDFZBI-OAHLLOKOSA-N 2 2 398.345 2.412 20 0 GEADLP C[NH+](C)[C@@]1(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CCSC1 ZINC000480275683 650618782 /nfs/dbraw/zinc/61/87/82/650618782.db2.gz QNNIAQKGAKHSHL-PKOBYXMFSA-N 2 2 379.595 2.330 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)[nH+]c12 ZINC000487143752 650729651 /nfs/dbraw/zinc/72/96/51/650729651.db2.gz XHHNLZIDYHIVER-IUODEOHRSA-N 2 2 379.302 2.262 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)[nH+]c12 ZINC000487143752 650729656 /nfs/dbraw/zinc/72/96/56/650729656.db2.gz XHHNLZIDYHIVER-IUODEOHRSA-N 2 2 379.302 2.262 20 0 GEADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000532479041 650748610 /nfs/dbraw/zinc/74/86/10/650748610.db2.gz MYBJNWMFTZMUOR-UHFFFAOYSA-N 2 2 379.302 2.375 20 0 GEADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000532479041 650748621 /nfs/dbraw/zinc/74/86/21/650748621.db2.gz MYBJNWMFTZMUOR-UHFFFAOYSA-N 2 2 379.302 2.375 20 0 GEADLP C[NH+]1CCC(CNC(=O)NCCSC(F)(F)F)([NH+]2CCCCC2)CC1 ZINC000174102761 644369332 /nfs/dbraw/zinc/36/93/32/644369332.db2.gz GHUWDJDMOFNDNU-UHFFFAOYSA-N 2 2 382.496 2.489 20 0 GEADLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280835546 646723122 /nfs/dbraw/zinc/72/31/22/646723122.db2.gz YFCHMUGDVWRHSC-GFCCVEGCSA-N 2 2 392.363 2.477 20 0 GEADLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280835546 646723130 /nfs/dbraw/zinc/72/31/30/646723130.db2.gz YFCHMUGDVWRHSC-GFCCVEGCSA-N 2 2 392.363 2.477 20 0 GEADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000368103232 647751051 /nfs/dbraw/zinc/75/10/51/647751051.db2.gz UFHNGUCBTPOFKU-KOLCDFICSA-N 2 2 399.314 2.028 20 0 GEADLP C[N@@H+]1CC[C@@H](CNC(=O)NCC(F)(F)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417952935 648267013 /nfs/dbraw/zinc/26/70/13/648267013.db2.gz OWFYDLXISIRUMJ-FZMZJTMJSA-N 2 2 378.826 2.365 20 0 GEADLP C[N@H+]1CC[C@@H](CNC(=O)NCC(F)(F)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417952935 648267019 /nfs/dbraw/zinc/26/70/19/648267019.db2.gz OWFYDLXISIRUMJ-FZMZJTMJSA-N 2 2 378.826 2.365 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)[nH+]c12 ZINC000417995351 648268113 /nfs/dbraw/zinc/26/81/13/648268113.db2.gz ATUZLEPAHBQNJX-STQMWFEESA-N 2 2 394.317 2.340 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CC[C@H](C[NH3+])C3)[nH+]c12 ZINC000418016259 648269854 /nfs/dbraw/zinc/26/98/54/648269854.db2.gz FSGNHQZFKFJUHD-GXTWGEPZSA-N 2 2 394.317 2.374 20 0 GEADLP C[NH2+]C[C@H](C)CNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000418017686 648270395 /nfs/dbraw/zinc/27/03/95/648270395.db2.gz HTVQNKMKHWHDBP-NSHDSACASA-N 2 2 382.306 2.102 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CC[C@@H](C[NH3+])C3)[nH+]c12 ZINC000418016270 648270477 /nfs/dbraw/zinc/27/04/77/648270477.db2.gz FSGNHQZFKFJUHD-OCCSQVGLSA-N 2 2 394.317 2.374 20 0 GEADLP O=C(N[C@@H]1CCC[NH2+]C1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000418389752 648296105 /nfs/dbraw/zinc/29/61/05/648296105.db2.gz WSDLRIXDVMGITF-CYBMUJFWSA-N 2 2 396.289 2.202 20 0 GEADLP Brc1ccc2nc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cn2c1 ZINC000422737279 648574089 /nfs/dbraw/zinc/57/40/89/648574089.db2.gz ZMDHZVBQGAJUTA-HRCADAONSA-N 2 2 379.302 2.344 20 0 GEADLP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[NH3+])S(=O)(=O)c1ccc(Br)cc1 ZINC000422768762 648575270 /nfs/dbraw/zinc/57/52/70/648575270.db2.gz UWHNGSTWFIPSFY-UONOGXRCSA-N 2 2 375.332 2.471 20 0 GEADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(F)c(I)c1 ZINC000423490040 648593088 /nfs/dbraw/zinc/59/30/88/648593088.db2.gz HHWNMISYPNPMLY-ZYHUDNBSSA-N 2 2 378.229 2.459 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424334680 648623393 /nfs/dbraw/zinc/62/33/93/648623393.db2.gz NWSLHRHEHZJPQV-TZMCWYRMSA-N 2 2 387.265 2.398 20 0 GEADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000424374717 648625731 /nfs/dbraw/zinc/62/57/31/648625731.db2.gz LOLUJNRJKGEPRA-OASPWFOLSA-N 2 2 376.320 2.017 20 0 GEADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000555548006 651228720 /nfs/dbraw/zinc/22/87/20/651228720.db2.gz ZFHVYJSSIZXBPF-WMLDXEAASA-N 2 2 380.330 2.236 20 0 GEADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000555548006 651228721 /nfs/dbraw/zinc/22/87/21/651228721.db2.gz ZFHVYJSSIZXBPF-WMLDXEAASA-N 2 2 380.330 2.236 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(F)c(Br)c3)C2)CC1 ZINC000608133818 651586645 /nfs/dbraw/zinc/58/66/45/651586645.db2.gz YGCLKQQUNDCYQO-CYBMUJFWSA-N 2 2 384.293 2.487 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(F)c(Br)c3)C2)CC1 ZINC000608133818 651586652 /nfs/dbraw/zinc/58/66/52/651586652.db2.gz YGCLKQQUNDCYQO-CYBMUJFWSA-N 2 2 384.293 2.487 20 0 GEADLP O=C(CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1)Nc1ccc(Br)cc1 ZINC000568167953 651653970 /nfs/dbraw/zinc/65/39/70/651653970.db2.gz SZZTWRUQMVEEPB-UHFFFAOYSA-N 2 2 378.274 2.323 20 0 GEADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1Cc1ccccc1Br ZINC000568649987 651674416 /nfs/dbraw/zinc/67/44/16/651674416.db2.gz QHFNLAMROZHOTH-SJORKVTESA-N 2 2 385.346 2.395 20 0 GEADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1Cc1ccccc1Br ZINC000568649987 651674423 /nfs/dbraw/zinc/67/44/23/651674423.db2.gz QHFNLAMROZHOTH-SJORKVTESA-N 2 2 385.346 2.395 20 0 GEADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000568649987 651674428 /nfs/dbraw/zinc/67/44/28/651674428.db2.gz QHFNLAMROZHOTH-SJORKVTESA-N 2 2 385.346 2.395 20 0 GEADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000568649987 651674432 /nfs/dbraw/zinc/67/44/32/651674432.db2.gz QHFNLAMROZHOTH-SJORKVTESA-N 2 2 385.346 2.395 20 0 GEADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(Br)c[nH]3)CC2)CC1 ZINC000568854895 651684713 /nfs/dbraw/zinc/68/47/13/651684713.db2.gz BSERVNSMJFHWSL-UHFFFAOYSA-N 2 2 383.334 2.409 20 0 GEADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(Br)c[nH]3)CC2)CC1 ZINC000568854895 651684717 /nfs/dbraw/zinc/68/47/17/651684717.db2.gz BSERVNSMJFHWSL-UHFFFAOYSA-N 2 2 383.334 2.409 20 0 GEADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCO1 ZINC000646854019 651724107 /nfs/dbraw/zinc/72/41/07/651724107.db2.gz OUYJRVBFUYEDDQ-RRQGHBQHSA-N 2 2 396.329 2.161 20 0 GEADLP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCO1 ZINC000646854020 651724252 /nfs/dbraw/zinc/72/42/52/651724252.db2.gz OUYJRVBFUYEDDQ-XKQJLSEDSA-N 2 2 396.329 2.161 20 0 GEADLP CO[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@H](C[NH3+])C1 ZINC000569811465 651725998 /nfs/dbraw/zinc/72/59/98/651725998.db2.gz ZBVMJRLEGPSEPR-QWHCGFSZSA-N 2 2 388.281 2.355 20 0 GEADLP CO[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@H](C[NH3+])C1 ZINC000569811465 651726003 /nfs/dbraw/zinc/72/60/03/651726003.db2.gz ZBVMJRLEGPSEPR-QWHCGFSZSA-N 2 2 388.281 2.355 20 0 GEADLP C[NH+](C)CCOC1CC[NH+](CN2C(=S)N=NC2Cc2cccs2)CC1 ZINC000738208049 651885946 /nfs/dbraw/zinc/88/59/46/651885946.db2.gz IWEFCWWOPDTFLH-UHFFFAOYSA-N 2 2 381.571 2.219 20 0 GEADLP NC(=O)[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348549 651916000 /nfs/dbraw/zinc/91/60/00/651916000.db2.gz HZCCGEZOWFIMAU-LLLHUVSDSA-N 2 2 396.329 2.194 20 0 GEADLP NC(=O)[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348549 651916007 /nfs/dbraw/zinc/91/60/07/651916007.db2.gz HZCCGEZOWFIMAU-LLLHUVSDSA-N 2 2 396.329 2.194 20 0 GEADLP C[N@@H+]1CC[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000655928339 652013540 /nfs/dbraw/zinc/01/35/40/652013540.db2.gz LUQFWUFQWBMXEQ-XQQFMLRXSA-N 2 2 382.789 2.413 20 0 GEADLP C[N@H+]1CC[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000655928339 652013543 /nfs/dbraw/zinc/01/35/43/652013543.db2.gz LUQFWUFQWBMXEQ-XQQFMLRXSA-N 2 2 382.789 2.413 20 0 GEADLP O=c1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)nc2ccc(Br)cn12 ZINC000574989796 652056967 /nfs/dbraw/zinc/05/69/67/652056967.db2.gz NPTULHPXPUGGJS-QGZVFWFLSA-N 2 2 377.286 2.033 20 0 GEADLP O=c1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)nc2ccc(Br)cn12 ZINC000574989796 652056974 /nfs/dbraw/zinc/05/69/74/652056974.db2.gz NPTULHPXPUGGJS-QGZVFWFLSA-N 2 2 377.286 2.033 20 0 GEADLP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624085305 652269314 /nfs/dbraw/zinc/26/93/14/652269314.db2.gz MEUFHXMHVLXUOC-LRDDRELGSA-N 2 2 386.309 2.449 20 0 GEADLP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624085305 652269320 /nfs/dbraw/zinc/26/93/20/652269320.db2.gz MEUFHXMHVLXUOC-LRDDRELGSA-N 2 2 386.309 2.449 20 0 GEADLP Brc1cc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc2c1OCCO2 ZINC000579342611 652332543 /nfs/dbraw/zinc/33/25/43/652332543.db2.gz WVOCJFYGBKVZPP-JKSUJKDBSA-N 2 2 383.286 2.077 20 0 GEADLP C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000626040197 652380524 /nfs/dbraw/zinc/38/05/24/652380524.db2.gz ZAIGZFTWJMQJEA-GOEBONIOSA-N 2 2 380.330 2.401 20 0 GEADLP O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662161445 652449965 /nfs/dbraw/zinc/44/99/65/652449965.db2.gz UPZNLCITDFPIEJ-HOTGVXAUSA-N 2 2 389.323 2.264 20 0 GEADLP O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662161445 652449966 /nfs/dbraw/zinc/44/99/66/652449966.db2.gz UPZNLCITDFPIEJ-HOTGVXAUSA-N 2 2 389.323 2.264 20 0 GEADLP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]([NH3+])c2ccccc2Br)C[C@@H](C)O1 ZINC000662368022 652457567 /nfs/dbraw/zinc/45/75/67/652457567.db2.gz KANGEWMRGFLGMS-IOASZLSFSA-N 2 2 384.318 2.064 20 0 GEADLP CCC[C@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CC[N@@H+]1CCOC ZINC000662824035 652475307 /nfs/dbraw/zinc/47/53/07/652475307.db2.gz AGIAKJKAHYLHMW-YOEHRIQHSA-N 2 2 398.345 2.408 20 0 GEADLP CCC[C@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CC[N@H+]1CCOC ZINC000662824035 652475309 /nfs/dbraw/zinc/47/53/09/652475309.db2.gz AGIAKJKAHYLHMW-YOEHRIQHSA-N 2 2 398.345 2.408 20 0 GEADLP C[N@H+](CCCn1cc[nH+]c1)Cn1nc(Br)c(=O)c2ccccc21 ZINC000755754374 652475708 /nfs/dbraw/zinc/47/57/08/652475708.db2.gz WXOHBNWFPHUVTP-UHFFFAOYSA-N 2 2 376.258 2.335 20 0 GEADLP C[N@@H+](CCCn1cc[nH+]c1)Cn1nc(Br)c(=O)c2ccccc21 ZINC000755754374 652475711 /nfs/dbraw/zinc/47/57/11/652475711.db2.gz WXOHBNWFPHUVTP-UHFFFAOYSA-N 2 2 376.258 2.335 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccc(Br)c(F)c1 ZINC000663865783 652513906 /nfs/dbraw/zinc/51/39/06/652513906.db2.gz ZDJLDOOXAKXTEP-UHFFFAOYSA-N 2 2 389.313 2.271 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccc(Br)c(F)c1 ZINC000663865783 652513910 /nfs/dbraw/zinc/51/39/10/652513910.db2.gz ZDJLDOOXAKXTEP-UHFFFAOYSA-N 2 2 389.313 2.271 20 0 GEADLP COc1ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c(Br)c1 ZINC000665952491 652565032 /nfs/dbraw/zinc/56/50/32/652565032.db2.gz QVNXHNQQNJDMOQ-UHFFFAOYSA-N 2 2 387.322 2.463 20 0 GEADLP COc1ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(Br)c1 ZINC000665952491 652565035 /nfs/dbraw/zinc/56/50/35/652565035.db2.gz QVNXHNQQNJDMOQ-UHFFFAOYSA-N 2 2 387.322 2.463 20 0 GEADLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000639765065 652952557 /nfs/dbraw/zinc/95/25/57/652952557.db2.gz IFLBQTVBWVGDLF-CXAGYDPISA-N 2 2 377.312 2.122 20 0 GEADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000639765065 652952563 /nfs/dbraw/zinc/95/25/63/652952563.db2.gz IFLBQTVBWVGDLF-CXAGYDPISA-N 2 2 377.312 2.122 20 0 GEADLP O[C@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000639863542 653086777 /nfs/dbraw/zinc/08/67/77/653086777.db2.gz MIEKJMZPKOHJEM-SJORKVTESA-N 2 2 389.323 2.264 20 0 GEADLP O[C@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000639863542 653086780 /nfs/dbraw/zinc/08/67/80/653086780.db2.gz MIEKJMZPKOHJEM-SJORKVTESA-N 2 2 389.323 2.264 20 0 GEADLP O[C@@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000639863539 653086891 /nfs/dbraw/zinc/08/68/91/653086891.db2.gz MIEKJMZPKOHJEM-DLBZAZTESA-N 2 2 389.323 2.264 20 0 GEADLP O[C@@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000639863539 653086894 /nfs/dbraw/zinc/08/68/94/653086894.db2.gz MIEKJMZPKOHJEM-DLBZAZTESA-N 2 2 389.323 2.264 20 0 GEADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Br)cn1 ZINC000684551736 653275859 /nfs/dbraw/zinc/27/58/59/653275859.db2.gz BTNYAWQPNIINGA-CJNGLKHVSA-N 2 2 383.334 2.437 20 0 GEADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Br)cn1 ZINC000684551736 653275864 /nfs/dbraw/zinc/27/58/64/653275864.db2.gz BTNYAWQPNIINGA-CJNGLKHVSA-N 2 2 383.334 2.437 20 0 GEADLP Cc1cc(Br)cc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000774989205 653278948 /nfs/dbraw/zinc/27/89/48/653278948.db2.gz KVGYMTVBLDHQAV-GOSISDBHSA-N 2 2 382.346 2.254 20 0 GEADLP Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000858244882 653356792 /nfs/dbraw/zinc/35/67/92/653356792.db2.gz JVQTXRNEMRQGAB-CABCVRRESA-N 2 2 388.965 2.026 20 0 GEADLP Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000858244882 653356797 /nfs/dbraw/zinc/35/67/97/653356797.db2.gz JVQTXRNEMRQGAB-CABCVRRESA-N 2 2 388.965 2.026 20 0 GEADLP C[C@H](C[NH3+])[NH2+]Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000841060789 653705813 /nfs/dbraw/zinc/70/58/13/653705813.db2.gz QDPSCLDEKQKDRP-SNVBAGLBSA-N 2 2 381.361 2.023 20 0 GEADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(Br)nc3)CC2)CC1 ZINC000817658614 653716865 /nfs/dbraw/zinc/71/68/65/653716865.db2.gz FYNCHVWENHJJGR-UHFFFAOYSA-N 2 2 395.345 2.476 20 0 GEADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(Br)nc3)CC2)CC1 ZINC000817658614 653716869 /nfs/dbraw/zinc/71/68/69/653716869.db2.gz FYNCHVWENHJJGR-UHFFFAOYSA-N 2 2 395.345 2.476 20 0 GEADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000817770828 653719167 /nfs/dbraw/zinc/71/91/67/653719167.db2.gz MBEIPBYPVURDNE-CQSZACIVSA-N 2 2 377.360 2.382 20 0 GEADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000817770828 653719170 /nfs/dbraw/zinc/71/91/70/653719170.db2.gz MBEIPBYPVURDNE-CQSZACIVSA-N 2 2 377.360 2.382 20 0 GEADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000817770827 653719315 /nfs/dbraw/zinc/71/93/15/653719315.db2.gz MBEIPBYPVURDNE-AWEZNQCLSA-N 2 2 377.360 2.382 20 0 GEADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000817770827 653719317 /nfs/dbraw/zinc/71/93/17/653719317.db2.gz MBEIPBYPVURDNE-AWEZNQCLSA-N 2 2 377.360 2.382 20 0 GEADLP C[C@@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@H]1CCCC[NH2+]1 ZINC000817918221 653722644 /nfs/dbraw/zinc/72/26/44/653722644.db2.gz XCKPTIQQRCSFPQ-IUODEOHRSA-N 2 2 380.432 2.479 20 0 GEADLP Cn1nc(Br)cc1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000787271572 653736311 /nfs/dbraw/zinc/73/63/11/653736311.db2.gz MMUUKOSEWUZXOY-UHFFFAOYSA-N 2 2 384.366 2.032 20 0 GEADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000843089311 653778997 /nfs/dbraw/zinc/77/89/97/653778997.db2.gz QFFPVCJSIGTNQH-CZUORRHYSA-N 2 2 375.282 2.058 20 0 GEADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000843089311 653778998 /nfs/dbraw/zinc/77/89/98/653778998.db2.gz QFFPVCJSIGTNQH-CZUORRHYSA-N 2 2 375.282 2.058 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc(F)c(Br)c1 ZINC000847489910 653931122 /nfs/dbraw/zinc/93/11/22/653931122.db2.gz VQXNECINIJRZCF-UHFFFAOYSA-N 2 2 387.297 2.081 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc(F)c(Br)c1 ZINC000847489910 653931123 /nfs/dbraw/zinc/93/11/23/653931123.db2.gz VQXNECINIJRZCF-UHFFFAOYSA-N 2 2 387.297 2.081 20 0 GEADLP C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000850518213 654080890 /nfs/dbraw/zinc/08/08/90/654080890.db2.gz COAWHKZEXBGRMJ-HOCLYGCPSA-N 2 2 378.460 2.464 20 0 GEADLP C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850518213 654080893 /nfs/dbraw/zinc/08/08/93/654080893.db2.gz COAWHKZEXBGRMJ-HOCLYGCPSA-N 2 2 378.460 2.464 20 0 GEADLP O=C(N(CCn1cc[nH+]c1)Cc1ccccc1Br)[C@@]1(F)CC[NH2+]C1 ZINC000832182343 654243425 /nfs/dbraw/zinc/24/34/25/654243425.db2.gz JHNFQUSXGQSTRA-QGZVFWFLSA-N 2 2 395.276 2.376 20 0 GEADLP O[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)COc1cc(Cl)cc(Cl)c1 ZINC000872199551 654316606 /nfs/dbraw/zinc/31/66/06/654316606.db2.gz PYMMKDXBEWCKGX-BFYDXBDKSA-N 2 2 375.296 2.186 20 0 GEADLP O[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)COc1cc(Cl)cc(Cl)c1 ZINC000872199551 654316613 /nfs/dbraw/zinc/31/66/13/654316613.db2.gz PYMMKDXBEWCKGX-BFYDXBDKSA-N 2 2 375.296 2.186 20 0 GEADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC000922285807 654381246 /nfs/dbraw/zinc/38/12/46/654381246.db2.gz FGZFECWOXJJCQU-INIZCTEOSA-N 2 2 397.292 2.499 20 0 GEADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC000922285807 654381249 /nfs/dbraw/zinc/38/12/49/654381249.db2.gz FGZFECWOXJJCQU-INIZCTEOSA-N 2 2 397.292 2.499 20 0 GEADLP O=C(c1cc(Cl)cc(Cl)c1)N1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923301559 654442366 /nfs/dbraw/zinc/44/23/66/654442366.db2.gz WMSGMUPPHMBJEN-MRXNPFEDSA-N 2 2 384.307 2.130 20 0 GEADLP Cn1nc(Br)nc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000894258895 654460417 /nfs/dbraw/zinc/46/04/17/654460417.db2.gz KIODFEWBXNLHIA-UHFFFAOYSA-N 2 2 394.317 2.342 20 0 GEADLP Cc1ccc(C[N@H+]2CC[C@H](CN(C)S(=O)(=O)CCn3cc[nH+]c3)C2)s1 ZINC000907345860 654534269 /nfs/dbraw/zinc/53/42/69/654534269.db2.gz KIUGGBCIXPGONK-MRXNPFEDSA-N 2 2 382.555 2.037 20 0 GEADLP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)S(=O)(=O)CCn3cc[nH+]c3)C2)s1 ZINC000907345860 654534270 /nfs/dbraw/zinc/53/42/70/654534270.db2.gz KIUGGBCIXPGONK-MRXNPFEDSA-N 2 2 382.555 2.037 20 0 GEADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2cc(F)c(Br)c(F)c2)CC1 ZINC000926083623 654558418 /nfs/dbraw/zinc/55/84/18/654558418.db2.gz HAFIKXBEKFOJFO-UHFFFAOYSA-N 2 2 377.233 2.272 20 0 GEADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCc2ncc(Br)cc21 ZINC000926751210 654581632 /nfs/dbraw/zinc/58/16/32/654581632.db2.gz ZBFYIOYZXFIPJA-HOCLYGCPSA-N 2 2 381.318 2.151 20 0 GEADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCc2ncc(Br)cc21 ZINC000926751210 654581636 /nfs/dbraw/zinc/58/16/36/654581636.db2.gz ZBFYIOYZXFIPJA-HOCLYGCPSA-N 2 2 381.318 2.151 20 0 GEADLP C[N@@H+]1C[C@]2(C)C[NH+](C[C@@H](O)COc3ccc(Br)cc3)C[C@]2(C)C1 ZINC000931305569 654737791 /nfs/dbraw/zinc/73/77/91/654737791.db2.gz ZOISXJWYRRYXHC-NXHRZFHOSA-N 2 2 383.330 2.462 20 0 GEADLP C[N@H+]1C[C@]2(C)C[NH+](C[C@@H](O)COc3ccc(Br)cc3)C[C@]2(C)C1 ZINC000931305569 654737794 /nfs/dbraw/zinc/73/77/94/654737794.db2.gz ZOISXJWYRRYXHC-NXHRZFHOSA-N 2 2 383.330 2.462 20 0 GEADLP C[NH+]1C[C@]2(C)C[N@H+](C[C@@H](O)COc3ccc(Br)cc3)C[C@]2(C)C1 ZINC000931305569 654737797 /nfs/dbraw/zinc/73/77/97/654737797.db2.gz ZOISXJWYRRYXHC-NXHRZFHOSA-N 2 2 383.330 2.462 20 0 GEADLP C[NH+]1C[C@]2(C)C[N@@H+](C[C@@H](O)COc3ccc(Br)cc3)C[C@]2(C)C1 ZINC000931305569 654737801 /nfs/dbraw/zinc/73/78/01/654737801.db2.gz ZOISXJWYRRYXHC-NXHRZFHOSA-N 2 2 383.330 2.462 20 0 GEADLP COc1cc(Br)cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000932623493 654783820 /nfs/dbraw/zinc/78/38/20/654783820.db2.gz YWDPRECCFXABSN-HNNXBMFYSA-N 2 2 396.329 2.356 20 0 GEADLP COc1cc(Br)cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000932623493 654783823 /nfs/dbraw/zinc/78/38/23/654783823.db2.gz YWDPRECCFXABSN-HNNXBMFYSA-N 2 2 396.329 2.356 20 0 GEADLP COC(=O)c1c[nH]c2nc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)ccc12 ZINC001164683952 719614627 /nfs/dbraw/zinc/61/46/27/719614627.db2.gz LQXOPXMDKANMFN-UHFFFAOYSA-N 2 2 382.468 2.021 20 0 GEADLP COC(=O)c1c[nH]c2nc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)ccc12 ZINC001164683952 719614638 /nfs/dbraw/zinc/61/46/38/719614638.db2.gz LQXOPXMDKANMFN-UHFFFAOYSA-N 2 2 382.468 2.021 20 0 GEADLP CSc1cc[nH+]c(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c1 ZINC001164714758 720196896 /nfs/dbraw/zinc/19/68/96/720196896.db2.gz HTXLDWWMZDWHAV-QGZVFWFLSA-N 2 2 388.541 2.148 20 0 GEADLP Cc1nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c2c([nH+]1)CCC2 ZINC001164828477 720332776 /nfs/dbraw/zinc/33/27/76/720332776.db2.gz JTURGOYYIYKCJO-PMACEKPBSA-N 2 2 383.540 2.185 20 0 GEADLP COc1ccc2c(cc[nH+]c2N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164741748 720653251 /nfs/dbraw/zinc/65/32/51/720653251.db2.gz MFVJLLSRFNUOHD-AEFFLSMTSA-N 2 2 377.448 2.375 20 0 GEADLP COc1ccc2c(cc[nH+]c2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164741748 720653256 /nfs/dbraw/zinc/65/32/56/720653256.db2.gz MFVJLLSRFNUOHD-AEFFLSMTSA-N 2 2 377.448 2.375 20 0 GEADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)[C@H]2C ZINC001164860673 720979029 /nfs/dbraw/zinc/97/90/29/720979029.db2.gz PIGGHVGWDHWXII-INIZCTEOSA-N 3 2 398.559 2.022 20 0 GEADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)[C@H]2C ZINC001164860673 720979031 /nfs/dbraw/zinc/97/90/31/720979031.db2.gz PIGGHVGWDHWXII-INIZCTEOSA-N 3 2 398.559 2.022 20 0 GEADLP CCN(C)c1cc(C)[nH+]c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867926 721040603 /nfs/dbraw/zinc/04/06/03/721040603.db2.gz KZEKFYXGZGUYJB-MOPGFXCFSA-N 2 2 382.512 2.116 20 0 GEADLP CCN(C)c1cc(C)[nH+]c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867926 721040604 /nfs/dbraw/zinc/04/06/04/721040604.db2.gz KZEKFYXGZGUYJB-MOPGFXCFSA-N 2 2 382.512 2.116 20 0 GEADLP Cc1c[nH+]c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1N1CCCC1 ZINC001164773126 721070307 /nfs/dbraw/zinc/07/03/07/721070307.db2.gz WMTFKVXUIHBQAO-RBUKOAKNSA-N 2 2 381.528 2.077 20 0 GEADLP Cc1c[nH+]c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1N1CCCC1 ZINC001164773126 721070314 /nfs/dbraw/zinc/07/03/14/721070314.db2.gz WMTFKVXUIHBQAO-RBUKOAKNSA-N 2 2 381.528 2.077 20 0 GEADLP CN(CC1CC[NH+](C)CC1)c1[nH+]cnc2c1ccn2S(=O)(=O)c1ccccc1 ZINC001165041422 721932492 /nfs/dbraw/zinc/93/24/92/721932492.db2.gz VSVQDFUEIDAORB-UHFFFAOYSA-N 2 2 399.520 2.446 20 0 GEADLP O=C(C[C@H]1C[NH2+]CCO1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000168557629 531879973 /nfs/dbraw/zinc/87/99/73/531879973.db2.gz CTHRUKWNKMKTLV-HNNXBMFYSA-N 2 2 386.323 2.453 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(Br)cn3)CC2)CC1 ZINC000170758815 531892844 /nfs/dbraw/zinc/89/28/44/531892844.db2.gz YUGVIERLEVAYCM-UHFFFAOYSA-N 2 2 381.318 2.133 20 0 GEADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cccc(I)c1 ZINC000124260495 532118399 /nfs/dbraw/zinc/11/83/99/532118399.db2.gz TUYYKRZPPQNCSO-UHFFFAOYSA-N 2 2 398.248 2.448 20 0 GEADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cccc(I)c1 ZINC000124260495 532118404 /nfs/dbraw/zinc/11/84/04/532118404.db2.gz TUYYKRZPPQNCSO-UHFFFAOYSA-N 2 2 398.248 2.448 20 0 GEADLP COc1ccc(Br)c(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000177139616 532162356 /nfs/dbraw/zinc/16/23/56/532162356.db2.gz NXMKCFHCZYENHZ-UHFFFAOYSA-N 2 2 384.318 2.214 20 0 GEADLP C[NH+](C)C1CC[NH+](CCNC(=O)/C=C/c2c(Cl)nc3sccn23)CC1 ZINC000177142870 532162506 /nfs/dbraw/zinc/16/25/06/532162506.db2.gz HNXVPZXYLAGOFI-ONEGZZNKSA-N 2 2 381.933 2.205 20 0 GEADLP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)Nc1ccc(Br)cc1 ZINC000129466052 532179923 /nfs/dbraw/zinc/17/99/23/532179923.db2.gz QHLCBQRYQWYAFB-HNNXBMFYSA-N 2 2 396.329 2.432 20 0 GEADLP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)Nc1ccc(Br)cc1 ZINC000129466052 532179928 /nfs/dbraw/zinc/17/99/28/532179928.db2.gz QHLCBQRYQWYAFB-HNNXBMFYSA-N 2 2 396.329 2.432 20 0 GEADLP CN(CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)S(=O)(=O)c1cccs1 ZINC000180180204 532259764 /nfs/dbraw/zinc/25/97/64/532259764.db2.gz GKTWGVHQBLSGKZ-UHFFFAOYSA-N 2 2 399.504 2.375 20 0 GEADLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000181034464 532289194 /nfs/dbraw/zinc/28/91/94/532289194.db2.gz CZNNXXSPBRMSGU-WMLDXEAASA-N 2 2 396.329 2.033 20 0 GEADLP O[C@H](C[NH2+]Cc1cncc(Br)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000186587499 532341367 /nfs/dbraw/zinc/34/13/67/532341367.db2.gz WVFXUCKGKPLXAR-GOSISDBHSA-N 2 2 376.298 2.353 20 0 GEADLP O[C@H](C[NH2+]Cc1cncc(Br)c1)C[N@H+]1CCc2ccccc2C1 ZINC000186587499 532341368 /nfs/dbraw/zinc/34/13/68/532341368.db2.gz WVFXUCKGKPLXAR-GOSISDBHSA-N 2 2 376.298 2.353 20 0 GEADLP CN([C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCCCF ZINC000557432919 532364250 /nfs/dbraw/zinc/36/42/50/532364250.db2.gz VMXVIBAUQGHKAT-MSOLQXFVSA-N 2 2 377.570 2.335 20 0 GEADLP CN([C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCCCF ZINC000557432919 532364251 /nfs/dbraw/zinc/36/42/51/532364251.db2.gz VMXVIBAUQGHKAT-MSOLQXFVSA-N 2 2 377.570 2.335 20 0 GEADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCS(=O)(=O)c3cccc(Br)c3)C[C@@H]21 ZINC000647907751 532384160 /nfs/dbraw/zinc/38/41/60/532384160.db2.gz OSKUGJOLZLFCBC-UHOFOFEASA-N 2 2 387.343 2.282 20 0 GEADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCS(=O)(=O)c3cccc(Br)c3)C[C@@H]21 ZINC000647907751 532384168 /nfs/dbraw/zinc/38/41/68/532384168.db2.gz OSKUGJOLZLFCBC-UHOFOFEASA-N 2 2 387.343 2.282 20 0 GEADLP OC[C@H]1CCC[N@@H+]1Cc1ccc(Br)cc1C[NH+]1CCC[C@H]1CO ZINC000192072933 532384850 /nfs/dbraw/zinc/38/48/50/532384850.db2.gz ZYYOKHXLNQVZNX-MSOLQXFVSA-N 2 2 383.330 2.363 20 0 GEADLP OC[C@H]1CCC[N@H+]1Cc1ccc(Br)cc1C[NH+]1CCC[C@H]1CO ZINC000192072933 532384855 /nfs/dbraw/zinc/38/48/55/532384855.db2.gz ZYYOKHXLNQVZNX-MSOLQXFVSA-N 2 2 383.330 2.363 20 0 GEADLP OC[C@H]1CCC[NH+]1Cc1ccc(Br)cc1C[N@@H+]1CCC[C@H]1CO ZINC000192072933 532384863 /nfs/dbraw/zinc/38/48/63/532384863.db2.gz ZYYOKHXLNQVZNX-MSOLQXFVSA-N 2 2 383.330 2.363 20 0 GEADLP OC[C@H]1CCC[NH+]1Cc1ccc(Br)cc1C[N@H+]1CCC[C@H]1CO ZINC000192072933 532384866 /nfs/dbraw/zinc/38/48/66/532384866.db2.gz ZYYOKHXLNQVZNX-MSOLQXFVSA-N 2 2 383.330 2.363 20 0 GEADLP CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)Cc1c[nH+]cn1C ZINC000516456383 532385922 /nfs/dbraw/zinc/38/59/22/532385922.db2.gz XVABEZIHQPIHQG-UHFFFAOYSA-N 2 2 394.317 2.362 20 0 GEADLP C[NH+]1CCN(C(=O)C[NH2+]C2CC(c3ccc(Br)cc3F)C2)CC1 ZINC000648437272 532396793 /nfs/dbraw/zinc/39/67/93/532396793.db2.gz KLTKSEYRBMVIST-UHFFFAOYSA-N 2 2 384.293 2.198 20 0 GEADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)C[C@H](C)O1 ZINC000517231326 532410514 /nfs/dbraw/zinc/41/05/14/532410514.db2.gz AEJNDHQULKYDTD-IIYDPXPESA-N 2 2 396.329 2.490 20 0 GEADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)C[C@H](C)O1 ZINC000517231326 532410515 /nfs/dbraw/zinc/41/05/15/532410515.db2.gz AEJNDHQULKYDTD-IIYDPXPESA-N 2 2 396.329 2.490 20 0 GEADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCc2ccc(Br)s2)C[C@H](C)O1 ZINC000517358705 532415506 /nfs/dbraw/zinc/41/55/06/532415506.db2.gz KSLOQXRYRDEVIE-XQQFMLRXSA-N 2 2 377.348 2.113 20 0 GEADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCc2ccc(Br)s2)C[C@H](C)O1 ZINC000517358705 532415511 /nfs/dbraw/zinc/41/55/11/532415511.db2.gz KSLOQXRYRDEVIE-XQQFMLRXSA-N 2 2 377.348 2.113 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ncccc3Br)CC2)CC1 ZINC000193016516 532417907 /nfs/dbraw/zinc/41/79/07/532417907.db2.gz VYPOTNKZOFMEJZ-UHFFFAOYSA-N 2 2 381.318 2.133 20 0 GEADLP O=C1Nc2ccc(Br)cc2CC[C@H]1[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000625373467 532423056 /nfs/dbraw/zinc/42/30/56/532423056.db2.gz DYLUSRWXXHPKPF-OAHLLOKOSA-N 2 2 390.285 2.248 20 0 GEADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Br)cc2)C[C@H](C)O1 ZINC000563002906 532492938 /nfs/dbraw/zinc/49/29/38/532492938.db2.gz LPXKRTIKVFTHLN-BENORSOKSA-N 2 2 383.330 2.365 20 0 GEADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Br)cc2)C[C@H](C)O1 ZINC000563002906 532492943 /nfs/dbraw/zinc/49/29/43/532492943.db2.gz LPXKRTIKVFTHLN-BENORSOKSA-N 2 2 383.330 2.365 20 0 GEADLP C[N@@H+]1CCN(C2CC[NH+](C[C@H](O)c3ccc(Cl)cc3Cl)CC2)C(=O)C1 ZINC000374770833 532517600 /nfs/dbraw/zinc/51/76/00/532517600.db2.gz IFBGZQVPMFZAEG-KRWDZBQOSA-N 2 2 386.323 2.265 20 0 GEADLP C[N@H+]1CCN(C2CC[NH+](C[C@H](O)c3ccc(Cl)cc3Cl)CC2)C(=O)C1 ZINC000374770833 532517607 /nfs/dbraw/zinc/51/76/07/532517607.db2.gz IFBGZQVPMFZAEG-KRWDZBQOSA-N 2 2 386.323 2.265 20 0 GEADLP O[C@@H](C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccc(Cl)cc1Cl ZINC000374801984 532518645 /nfs/dbraw/zinc/51/86/45/532518645.db2.gz PJJCSHKIUNBGKC-KRWDZBQOSA-N 2 2 389.323 2.186 20 0 GEADLP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430631883 532501311 /nfs/dbraw/zinc/50/13/11/532501311.db2.gz VZLDQQPBMWERFS-NEPJUHHUSA-N 2 2 387.311 2.107 20 0 GEADLP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430631883 532501315 /nfs/dbraw/zinc/50/13/15/532501315.db2.gz VZLDQQPBMWERFS-NEPJUHHUSA-N 2 2 387.311 2.107 20 0 GEADLP C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430606368 532502043 /nfs/dbraw/zinc/50/20/43/532502043.db2.gz VGZJPBQZXMQXQY-RYUDHWBXSA-N 2 2 387.265 2.289 20 0 GEADLP C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430606368 532502047 /nfs/dbraw/zinc/50/20/47/532502047.db2.gz VGZJPBQZXMQXQY-RYUDHWBXSA-N 2 2 387.265 2.289 20 0 GEADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2cc(F)cc(Br)c2)CC1 ZINC000374995606 532526657 /nfs/dbraw/zinc/52/66/57/532526657.db2.gz DUQUSBVOADEJQN-UHFFFAOYSA-N 2 2 387.293 2.247 20 0 GEADLP CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000296599089 532530190 /nfs/dbraw/zinc/53/01/90/532530190.db2.gz YFDLRXCUNZPNAO-WFASDCNBSA-N 2 2 384.318 2.146 20 0 GEADLP C[NH+](C)CC[C@H](N)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000653119847 532532058 /nfs/dbraw/zinc/53/20/58/532532058.db2.gz YQJSJFGMHMBWAT-KRWDZBQOSA-N 2 2 387.355 2.353 20 0 GEADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000653119847 532532065 /nfs/dbraw/zinc/53/20/65/532532065.db2.gz YQJSJFGMHMBWAT-KRWDZBQOSA-N 3 2 387.355 2.353 20 0 GEADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000653149062 532532847 /nfs/dbraw/zinc/53/28/47/532532847.db2.gz VIMRQYXTOSMWIC-LBPRGKRZSA-N 2 2 382.224 2.363 20 0 GEADLP Cc1cc(Br)cn2cc(C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)nc12 ZINC000564825515 532533145 /nfs/dbraw/zinc/53/31/45/532533145.db2.gz MJVNFCUAEHZHMO-JKSUJKDBSA-N 2 2 379.302 2.262 20 0 GEADLP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000432942802 532550683 /nfs/dbraw/zinc/55/06/83/532550683.db2.gz COZSQDCDTZXNMD-UHFFFAOYSA-N 2 2 379.551 2.316 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1c(F)cncc1Br ZINC000631276420 532552930 /nfs/dbraw/zinc/55/29/30/532552930.db2.gz OPBWJYCCGPIOIY-UHFFFAOYSA-N 2 2 387.297 2.081 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1c(F)cncc1Br ZINC000631276420 532552937 /nfs/dbraw/zinc/55/29/37/532552937.db2.gz OPBWJYCCGPIOIY-UHFFFAOYSA-N 2 2 387.297 2.081 20 0 GEADLP C[N@@H+]1CCN(C(=O)N[C@H]2c3cccc(Br)c3CC2(C)C)[C@@H](C[NH3+])C1 ZINC000565882707 532582531 /nfs/dbraw/zinc/58/25/31/532582531.db2.gz GOTIPWYWMXJGFQ-LRDDRELGSA-N 2 2 395.345 2.357 20 0 GEADLP C[N@H+]1CCN(C(=O)N[C@H]2c3cccc(Br)c3CC2(C)C)[C@@H](C[NH3+])C1 ZINC000565882707 532582538 /nfs/dbraw/zinc/58/25/38/532582538.db2.gz GOTIPWYWMXJGFQ-LRDDRELGSA-N 2 2 395.345 2.357 20 0 GEADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCc2cccc(Br)c2)CC1 ZINC000297401064 532587612 /nfs/dbraw/zinc/58/76/12/532587612.db2.gz ROKUECVFQCPINC-UHFFFAOYSA-N 2 2 397.361 2.317 20 0 GEADLP COc1cc(C[N@H+](C)CC2C[NH+](C)C2)cc(I)c1OC ZINC000597203825 532613715 /nfs/dbraw/zinc/61/37/15/532613715.db2.gz YCGPMDBOKKVKKO-UHFFFAOYSA-N 2 2 390.265 2.302 20 0 GEADLP COc1cc(C[N@@H+](C)CC2C[NH+](C)C2)cc(I)c1OC ZINC000597203825 532613724 /nfs/dbraw/zinc/61/37/24/532613724.db2.gz YCGPMDBOKKVKKO-UHFFFAOYSA-N 2 2 390.265 2.302 20 0 GEADLP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000530460297 532621516 /nfs/dbraw/zinc/62/15/16/532621516.db2.gz IOANLPOZVQPLIL-CQSZACIVSA-N 2 2 384.299 2.233 20 0 GEADLP O=C(CC[NH2+]C[C@H]1CCC[N@H+]1CCCO)Nc1cccc(Br)c1 ZINC000567873190 532668109 /nfs/dbraw/zinc/66/81/09/532668109.db2.gz PLINIRYPQQUWLP-MRXNPFEDSA-N 2 2 384.318 2.214 20 0 GEADLP O=C(CC[NH2+]C[C@H]1CCC[N@@H+]1CCCO)Nc1cccc(Br)c1 ZINC000567873190 532668111 /nfs/dbraw/zinc/66/81/11/532668111.db2.gz PLINIRYPQQUWLP-MRXNPFEDSA-N 2 2 384.318 2.214 20 0 GEADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc3c(c(Br)c2)OCO3)CC12CCOCC2 ZINC000567870989 532669131 /nfs/dbraw/zinc/66/91/31/532669131.db2.gz DGAQGJPGBORFRP-CYBMUJFWSA-N 2 2 383.286 2.365 20 0 GEADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc3c(c(Br)c2)OCO3)CC12CCOCC2 ZINC000567870989 532669137 /nfs/dbraw/zinc/66/91/37/532669137.db2.gz DGAQGJPGBORFRP-CYBMUJFWSA-N 2 2 383.286 2.365 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)NCC3=CC[NH2+]CC3)[nH+]c12 ZINC000569204137 532692476 /nfs/dbraw/zinc/69/24/76/532692476.db2.gz FTOUELVRWXMOLU-UHFFFAOYSA-N 2 2 392.301 2.167 20 0 GEADLP C[NH+](C)CC(=O)N1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000301153789 532742221 /nfs/dbraw/zinc/74/22/21/532742221.db2.gz FEXWLVKXYVNABT-UHFFFAOYSA-N 2 2 377.286 2.208 20 0 GEADLP C[C@@](O)(CNc1cc[nH+]c2c(Br)cccc12)C[NH+]1CCOCC1 ZINC000301769642 532759050 /nfs/dbraw/zinc/75/90/50/532759050.db2.gz OVBPFTSKDNGGBS-QGZVFWFLSA-N 2 2 380.286 2.492 20 0 GEADLP C[C@H](CC[NH+]1CC[S@](=O)[C@H](C)[C@H]1C)CC[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000411288489 532753895 /nfs/dbraw/zinc/75/38/95/532753895.db2.gz DSXQRZDVQVGTML-NSYJXTMMSA-N 2 2 376.632 2.085 20 0 GEADLP C[C@H](CC[NH+]1CC[S@](=O)[C@H](C)[C@H]1C)CC[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000411288489 532753900 /nfs/dbraw/zinc/75/39/00/532753900.db2.gz DSXQRZDVQVGTML-NSYJXTMMSA-N 2 2 376.632 2.085 20 0 GEADLP C[C@@H](CC[NH+]1CC[S@](=O)[C@H](C)[C@@H]1C)CC[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000411288489 532753905 /nfs/dbraw/zinc/75/39/05/532753905.db2.gz DSXQRZDVQVGTML-NSYJXTMMSA-N 2 2 376.632 2.085 20 0 GEADLP C[C@@H](CC[NH+]1CC[S@](=O)[C@H](C)[C@@H]1C)CC[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000411288489 532753908 /nfs/dbraw/zinc/75/39/08/532753908.db2.gz DSXQRZDVQVGTML-NSYJXTMMSA-N 2 2 376.632 2.085 20 0 GEADLP O[C@H](C[NH2+]Cc1ccc(Br)cn1)C[N@@H+]1CCc2ccccc2C1 ZINC000555626469 532808215 /nfs/dbraw/zinc/80/82/15/532808215.db2.gz XPDHEPRNEITMMA-GOSISDBHSA-N 2 2 376.298 2.353 20 0 GEADLP O[C@H](C[NH2+]Cc1ccc(Br)cn1)C[N@H+]1CCc2ccccc2C1 ZINC000555626469 532808217 /nfs/dbraw/zinc/80/82/17/532808217.db2.gz XPDHEPRNEITMMA-GOSISDBHSA-N 2 2 376.298 2.353 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)NCCn3cc[nH+]c3)[nH+]c12 ZINC000273480217 532824989 /nfs/dbraw/zinc/82/49/89/532824989.db2.gz MLKUSYCLVQINOV-UHFFFAOYSA-N 2 2 377.246 2.101 20 0 GEADLP COc1cc(C[NH2+]C[C@H]2CCC[NH2+]2)cc(I)c1OC ZINC000414822301 532835668 /nfs/dbraw/zinc/83/56/68/532835668.db2.gz DOYZGGBFFYLWEO-LLVKDONJSA-N 2 2 376.238 2.150 20 0 GEADLP COCC[NH2+]CC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000414883289 532835107 /nfs/dbraw/zinc/83/51/07/532835107.db2.gz MKOIGKNFGDLCHO-UHFFFAOYSA-N 2 2 398.345 2.188 20 0 GEADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000414977901 532836777 /nfs/dbraw/zinc/83/67/77/532836777.db2.gz QXICMIJFDSGKRW-LLVKDONJSA-N 2 2 382.224 2.341 20 0 GEADLP Cc1cc(Br)cc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)c1OC(F)F ZINC000414969194 532836846 /nfs/dbraw/zinc/83/68/46/532836846.db2.gz SLHNDWHGDWVBQV-ZDUSSCGKSA-N 2 2 378.261 2.352 20 0 GEADLP Cc1cc(S(=O)(=O)N2CC[NH+](CCCn3cc[nH+]c3C)CC2)c(C)s1 ZINC000331601520 532842025 /nfs/dbraw/zinc/84/20/25/532842025.db2.gz DOIMXIOKZTYUIK-UHFFFAOYSA-N 2 2 382.555 2.266 20 0 GEADLP [NH3+]CC[C@H](NC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1)C(F)(F)F ZINC000416001685 532862734 /nfs/dbraw/zinc/86/27/34/532862734.db2.gz CTDOCRNLSAUNGP-AWEZNQCLSA-N 2 2 378.826 2.447 20 0 GEADLP [NH3+]CC[C@H](NC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1)C(F)(F)F ZINC000415995399 532862510 /nfs/dbraw/zinc/86/25/10/532862510.db2.gz MZFLITSQMRDQFO-AWEZNQCLSA-N 2 2 378.826 2.447 20 0 GEADLP [NH3+]CC[C@H](NC(=O)NCc1cn2cc(Br)ccc2[nH+]1)C(F)(F)F ZINC000415995284 532862596 /nfs/dbraw/zinc/86/25/96/532862596.db2.gz MVITZCUYRPBOFK-JTQLQIEISA-N 2 2 394.195 2.176 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@H](C[NH+](C)C)C3)[nH+]c12 ZINC000275240254 532869936 /nfs/dbraw/zinc/86/99/36/532869936.db2.gz KCVCZKFDDYOZDE-CYBMUJFWSA-N 2 2 394.317 2.498 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)[nH+]c12 ZINC000333727557 532872442 /nfs/dbraw/zinc/87/24/42/532872442.db2.gz HGXDMDCPXKDGHJ-CHWSQXEVSA-N 2 2 392.301 2.156 20 0 GEADLP Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c(C)s1 ZINC000422998341 532892926 /nfs/dbraw/zinc/89/29/26/532892926.db2.gz PVXUMJYUPRSRMS-YOEHRIQHSA-N 2 2 381.567 2.191 20 0 GEADLP Cc1ccc(Br)nc1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000364262154 532905526 /nfs/dbraw/zinc/90/55/26/532905526.db2.gz AWDZADQNSQKIFX-AWEZNQCLSA-N 2 2 395.345 2.393 20 0 GEADLP Cc1ccc(Br)nc1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000364262154 532905528 /nfs/dbraw/zinc/90/55/28/532905528.db2.gz AWDZADQNSQKIFX-AWEZNQCLSA-N 2 2 395.345 2.393 20 0 GEADLP CSc1nc2ncnc(N3CC[N@@H+](C4CC[NH+](C)CC4)[C@H](C)C3)c2s1 ZINC000364377995 532906238 /nfs/dbraw/zinc/90/62/38/532906238.db2.gz CCLSJQSYQVHVJA-GFCCVEGCSA-N 2 2 378.571 2.413 20 0 GEADLP CSc1nc2ncnc(N3CC[N@H+](C4CC[NH+](C)CC4)[C@H](C)C3)c2s1 ZINC000364377995 532906241 /nfs/dbraw/zinc/90/62/41/532906241.db2.gz CCLSJQSYQVHVJA-GFCCVEGCSA-N 2 2 378.571 2.413 20 0 GEADLP CN(C(=O)c1cccnc1Br)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000366063226 532914215 /nfs/dbraw/zinc/91/42/15/532914215.db2.gz VKKGZJHZKIUULU-CQSZACIVSA-N 2 2 381.318 2.085 20 0 GEADLP CN(C(=O)c1cccnc1Br)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000366063226 532914217 /nfs/dbraw/zinc/91/42/17/532914217.db2.gz VKKGZJHZKIUULU-CQSZACIVSA-N 2 2 381.318 2.085 20 0 GEADLP CN(C(=O)c1cccc(Br)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367726608 532926721 /nfs/dbraw/zinc/92/67/21/532926721.db2.gz SVQOKLOJIJFDML-CQSZACIVSA-N 2 2 381.318 2.085 20 0 GEADLP CN(C(=O)c1cccc(Br)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367726608 532926723 /nfs/dbraw/zinc/92/67/23/532926723.db2.gz SVQOKLOJIJFDML-CQSZACIVSA-N 2 2 381.318 2.085 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3cccc(Br)c3)C2)CC1 ZINC000369277305 532937828 /nfs/dbraw/zinc/93/78/28/532937828.db2.gz LCSNIDTYTPYOOY-MRXNPFEDSA-N 2 2 380.330 2.276 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3cccc(Br)c3)C2)CC1 ZINC000369277305 532937829 /nfs/dbraw/zinc/93/78/29/532937829.db2.gz LCSNIDTYTPYOOY-MRXNPFEDSA-N 2 2 380.330 2.276 20 0 GEADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CC[NH+](CCc2cccnc2)CC1 ZINC000738445168 598946403 /nfs/dbraw/zinc/94/64/03/598946403.db2.gz FDDSIABZCQHWMQ-UHFFFAOYSA-N 2 2 386.463 2.175 20 0 GEADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000736705070 598367412 /nfs/dbraw/zinc/36/74/12/598367412.db2.gz FAOZTOBYPWDLSQ-OAHLLOKOSA-N 2 2 394.483 2.291 20 0 GEADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000736705070 598367413 /nfs/dbraw/zinc/36/74/13/598367413.db2.gz FAOZTOBYPWDLSQ-OAHLLOKOSA-N 2 2 394.483 2.291 20 0 GEADLP C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000820432079 599427733 /nfs/dbraw/zinc/42/77/33/599427733.db2.gz MAHAAHFOBRYHCW-CYBMUJFWSA-N 2 2 385.447 2.201 20 0 GEADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1-c1nn[nH]n1 ZINC000821809770 599442177 /nfs/dbraw/zinc/44/21/77/599442177.db2.gz RTVNAOFFKYGLRK-BEFAXECRSA-N 2 2 393.495 2.271 20 0 GEADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1-c1nn[nH]n1 ZINC000821809770 599442180 /nfs/dbraw/zinc/44/21/80/599442180.db2.gz RTVNAOFFKYGLRK-BEFAXECRSA-N 2 2 393.495 2.271 20 0 GEADLP CC[C@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)CC[N@@H+]1CCOC ZINC000820994691 599534465 /nfs/dbraw/zinc/53/44/65/599534465.db2.gz KGSCNXQGGAVBDF-HNNXBMFYSA-N 2 2 381.484 2.270 20 0 GEADLP CC[C@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)CC[N@H+]1CCOC ZINC000820994691 599534468 /nfs/dbraw/zinc/53/44/68/599534468.db2.gz KGSCNXQGGAVBDF-HNNXBMFYSA-N 2 2 381.484 2.270 20 0 GEADLP O=C(CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407585 607478120 /nfs/dbraw/zinc/47/81/20/607478120.db2.gz TTWPXNZTZFXSEV-KXBFYZLASA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407585 607478121 /nfs/dbraw/zinc/47/81/21/607478121.db2.gz TTWPXNZTZFXSEV-KXBFYZLASA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407585 607478123 /nfs/dbraw/zinc/47/81/23/607478123.db2.gz TTWPXNZTZFXSEV-KXBFYZLASA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407585 607478125 /nfs/dbraw/zinc/47/81/25/607478125.db2.gz TTWPXNZTZFXSEV-KXBFYZLASA-N 2 2 395.511 2.144 20 0 GEADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1 ZINC000822195203 606440371 /nfs/dbraw/zinc/44/03/71/606440371.db2.gz KADBYAIUBAUZBQ-INIZCTEOSA-N 2 2 393.495 2.333 20 0 GEADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)[C@H](C)C1 ZINC000825595238 608284577 /nfs/dbraw/zinc/28/45/77/608284577.db2.gz WEGFIZKKHYSSCD-RDTXWAMCSA-N 2 2 376.480 2.232 20 0 GEADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)[C@H](C)C1 ZINC000825595238 608284578 /nfs/dbraw/zinc/28/45/78/608284578.db2.gz WEGFIZKKHYSSCD-RDTXWAMCSA-N 2 2 376.480 2.232 20 0 GEADLP CC[NH+]1CCC([N@H+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)CC1 ZINC000825453187 608314476 /nfs/dbraw/zinc/31/44/76/608314476.db2.gz TVDDULNFWYXOMU-UHFFFAOYSA-N 2 2 380.500 2.277 20 0 GEADLP CC[NH+]1CCC([N@@H+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)CC1 ZINC000825453187 608314478 /nfs/dbraw/zinc/31/44/78/608314478.db2.gz TVDDULNFWYXOMU-UHFFFAOYSA-N 2 2 380.500 2.277 20 0 GEADLP Cc1cc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)ccc1Br ZINC000500982855 650385620 /nfs/dbraw/zinc/38/56/20/650385620.db2.gz ZHGZEIICLWLLBT-UHFFFAOYSA-N 2 2 383.330 2.417 20 0 GEADLP C[N@H+](Cc1cc(Br)c2c(c1)OCCCO2)C1CC[NH+](CCO)CC1 ZINC000513531442 650564183 /nfs/dbraw/zinc/56/41/83/650564183.db2.gz VCUDGLLNORYWGW-UHFFFAOYSA-N 2 2 399.329 2.499 20 0 GEADLP C[N@@H+](Cc1cc(Br)c2c(c1)OCCCO2)C1CC[NH+](CCO)CC1 ZINC000513531442 650564188 /nfs/dbraw/zinc/56/41/88/650564188.db2.gz VCUDGLLNORYWGW-UHFFFAOYSA-N 2 2 399.329 2.499 20 0 GEADLP O=C(C[NH+]1CCCC1)N1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000489175362 650755527 /nfs/dbraw/zinc/75/55/27/650755527.db2.gz CESBGZUFIDWTAC-UHFFFAOYSA-N 2 2 396.329 2.068 20 0 GEADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(=O)n3cc(Br)ccc3n2)CC[N@@H+]1C ZINC000533311229 650760118 /nfs/dbraw/zinc/76/01/18/650760118.db2.gz MLMYRZAHKBLIBZ-WFASDCNBSA-N 2 2 379.302 2.372 20 0 GEADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(=O)n3cc(Br)ccc3n2)CC[N@H+]1C ZINC000533311229 650760121 /nfs/dbraw/zinc/76/01/21/650760121.db2.gz MLMYRZAHKBLIBZ-WFASDCNBSA-N 2 2 379.302 2.372 20 0 GEADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)CC[NH+]1C ZINC000533311229 650760125 /nfs/dbraw/zinc/76/01/25/650760125.db2.gz MLMYRZAHKBLIBZ-WFASDCNBSA-N 2 2 379.302 2.372 20 0 GEADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)CC[NH+]1C ZINC000533311229 650760127 /nfs/dbraw/zinc/76/01/27/650760127.db2.gz MLMYRZAHKBLIBZ-WFASDCNBSA-N 2 2 379.302 2.372 20 0 GEADLP COc1cc(C[NH2+]CCn2cc[nH+]c2)cc(I)c1OC ZINC000063312892 642856988 /nfs/dbraw/zinc/85/69/88/642856988.db2.gz FTQFXFURLPZZNR-UHFFFAOYSA-N 2 2 387.221 2.295 20 0 GEADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000070174322 643049757 /nfs/dbraw/zinc/04/97/57/643049757.db2.gz SWAOQSBAJVLMFY-NEPJUHHUSA-N 2 2 387.265 2.289 20 0 GEADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000070174322 643049763 /nfs/dbraw/zinc/04/97/63/643049763.db2.gz SWAOQSBAJVLMFY-NEPJUHHUSA-N 2 2 387.265 2.289 20 0 GEADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000172807128 644344750 /nfs/dbraw/zinc/34/47/50/644344750.db2.gz HYYZTGFZEPNURA-CYBMUJFWSA-N 2 2 384.318 2.477 20 0 GEADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185865160 645055451 /nfs/dbraw/zinc/05/54/51/645055451.db2.gz COWIQMVKVZJLNT-ZDUSSCGKSA-N 2 2 395.139 2.196 20 0 GEADLP CC(C)OCC[NH+]1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261883549 645608763 /nfs/dbraw/zinc/60/87/63/645608763.db2.gz ZIJSAPDCKYUYJA-SFHVURJKSA-N 2 2 398.345 2.192 20 0 GEADLP C[NH+](C)CC(=O)N1CCN(c2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000413055989 648059275 /nfs/dbraw/zinc/05/92/75/648059275.db2.gz UVEQOFVUSMJPPB-UHFFFAOYSA-N 2 2 377.286 2.208 20 0 GEADLP O=C(NCC[NH+]1CCC1)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000413887128 648081062 /nfs/dbraw/zinc/08/10/62/648081062.db2.gz VSPNGEQHPQOXRK-UHFFFAOYSA-N 2 2 395.345 2.418 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@@H](C)[NH2+]C[C@@H]3C)[nH+]c12 ZINC000417995346 648268156 /nfs/dbraw/zinc/26/81/56/648268156.db2.gz ATUZLEPAHBQNJX-OLZOCXBDSA-N 2 2 394.317 2.340 20 0 GEADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000420361188 648414096 /nfs/dbraw/zinc/41/40/96/648414096.db2.gz LULSMQQRVFLDRT-CQSZACIVSA-N 2 2 375.332 2.201 20 0 GEADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000420361184 648414141 /nfs/dbraw/zinc/41/41/41/648414141.db2.gz LULSMQQRVFLDRT-AWEZNQCLSA-N 2 2 375.332 2.201 20 0 GEADLP FC(F)(F)c1cnc(OCC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000422925899 648577244 /nfs/dbraw/zinc/57/72/44/648577244.db2.gz VUHSHBNYAYOKCU-ZIAGYGMSSA-N 2 2 379.810 2.489 20 0 GEADLP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422957002 648578968 /nfs/dbraw/zinc/57/89/68/648578968.db2.gz RWLWWCFTXWOFJJ-SJLPKXTDSA-N 2 2 396.329 2.443 20 0 GEADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCOc1ccc(I)cc1 ZINC000423117101 648582477 /nfs/dbraw/zinc/58/24/77/648582477.db2.gz SZNQRKIBCOHCHB-GXTWGEPZSA-N 2 2 390.265 2.027 20 0 GEADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCOc1ccc(I)cc1 ZINC000423117103 648582484 /nfs/dbraw/zinc/58/24/84/648582484.db2.gz SZNQRKIBCOHCHB-OCCSQVGLSA-N 2 2 390.265 2.027 20 0 GEADLP COc1ccc(Br)c(C[N@H+](C)CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000558738159 651284141 /nfs/dbraw/zinc/28/41/41/651284141.db2.gz OKWQZWZBCKSZGS-UHFFFAOYSA-N 2 2 384.318 2.054 20 0 GEADLP COc1ccc(Br)c(C[N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000558738159 651284145 /nfs/dbraw/zinc/28/41/45/651284145.db2.gz OKWQZWZBCKSZGS-UHFFFAOYSA-N 2 2 384.318 2.054 20 0 GEADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000647970501 651767883 /nfs/dbraw/zinc/76/78/83/651767883.db2.gz SZADZLINWBTFKU-TZMCWYRMSA-N 2 2 375.307 2.047 20 0 GEADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000647970501 651767888 /nfs/dbraw/zinc/76/78/88/651767888.db2.gz SZADZLINWBTFKU-TZMCWYRMSA-N 2 2 375.307 2.047 20 0 GEADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000651208651 651876230 /nfs/dbraw/zinc/87/62/30/651876230.db2.gz ZSZVXDKMBUHBBD-KRWDZBQOSA-N 2 2 380.330 2.134 20 0 GEADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000572194324 651878342 /nfs/dbraw/zinc/87/83/42/651878342.db2.gz HMHMAGFSDKYBEV-OAHLLOKOSA-N 2 2 379.302 2.373 20 0 GEADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000572194324 651878347 /nfs/dbraw/zinc/87/83/47/651878347.db2.gz HMHMAGFSDKYBEV-OAHLLOKOSA-N 2 2 379.302 2.373 20 0 GEADLP C[C@@H](Oc1cccc(Br)c1)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617766168 651971621 /nfs/dbraw/zinc/97/16/21/651971621.db2.gz AGZMJWRVYRBQQZ-CQSZACIVSA-N 2 2 386.334 2.216 20 0 GEADLP C[C@@H](Oc1cccc(Br)c1)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617766168 651971626 /nfs/dbraw/zinc/97/16/26/651971626.db2.gz AGZMJWRVYRBQQZ-CQSZACIVSA-N 2 2 386.334 2.216 20 0 GEADLP Cc1c[nH+]cn1CC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000624722593 652300148 /nfs/dbraw/zinc/30/01/48/652300148.db2.gz XDASJKDMRWSNHW-UHFFFAOYSA-N 2 2 392.301 2.345 20 0 GEADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000578979767 652308373 /nfs/dbraw/zinc/30/83/73/652308373.db2.gz LEZTVDOWLVFVDJ-INIZCTEOSA-N 2 2 384.318 2.478 20 0 GEADLP COCC[N@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000578979767 652308381 /nfs/dbraw/zinc/30/83/81/652308381.db2.gz LEZTVDOWLVFVDJ-INIZCTEOSA-N 2 2 384.318 2.478 20 0 GEADLP CN(C(=O)c1cc(O)cc(Br)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000625502221 652350244 /nfs/dbraw/zinc/35/02/44/652350244.db2.gz RARRFWOHQUYRCX-MRXNPFEDSA-N 2 2 396.329 2.395 20 0 GEADLP CN(C(=O)c1cc(O)cc(Br)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000625502221 652350247 /nfs/dbraw/zinc/35/02/47/652350247.db2.gz RARRFWOHQUYRCX-MRXNPFEDSA-N 2 2 396.329 2.395 20 0 GEADLP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000579945136 652360605 /nfs/dbraw/zinc/36/06/05/652360605.db2.gz PEWQKNBMMNGHSS-GDLCADMTSA-N 2 2 380.290 2.076 20 0 GEADLP C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000626040199 652380815 /nfs/dbraw/zinc/38/08/15/652380815.db2.gz ZAIGZFTWJMQJEA-ZBFHGGJFSA-N 2 2 380.330 2.401 20 0 GEADLP C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000626040199 652380818 /nfs/dbraw/zinc/38/08/18/652380818.db2.gz ZAIGZFTWJMQJEA-ZBFHGGJFSA-N 2 2 380.330 2.401 20 0 GEADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C[C@H](C)O1 ZINC000582061468 652433795 /nfs/dbraw/zinc/43/37/95/652433795.db2.gz USPAEIXYBZGKSE-IYOUNJFTSA-N 2 2 398.345 2.191 20 0 GEADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C[C@H](C)O1 ZINC000582061468 652433798 /nfs/dbraw/zinc/43/37/98/652433798.db2.gz USPAEIXYBZGKSE-IYOUNJFTSA-N 2 2 398.345 2.191 20 0 GEADLP C[NH2+][C@@H](C(=O)NCCCC[NH+]1CCN(C)CC1)c1cccc(Cl)c1Cl ZINC000662383633 652458373 /nfs/dbraw/zinc/45/83/73/652458373.db2.gz NHXXTMIJAMCNOR-QGZVFWFLSA-N 2 2 387.355 2.398 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCc1ccccc1Br ZINC000663872064 652514406 /nfs/dbraw/zinc/51/44/06/652514406.db2.gz ZUFRSAKCFFQDHE-UHFFFAOYSA-N 2 2 385.350 2.174 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCc1ccccc1Br ZINC000663872064 652514408 /nfs/dbraw/zinc/51/44/08/652514408.db2.gz ZUFRSAKCFFQDHE-UHFFFAOYSA-N 2 2 385.350 2.174 20 0 GEADLP Cc1c(Br)cncc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668638869 652655629 /nfs/dbraw/zinc/65/56/29/652655629.db2.gz BTPZKIPOUSBWHG-CYBMUJFWSA-N 2 2 381.318 2.051 20 0 GEADLP Cc1c(Br)cncc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668638869 652655636 /nfs/dbraw/zinc/65/56/36/652655636.db2.gz BTPZKIPOUSBWHG-CYBMUJFWSA-N 2 2 381.318 2.051 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000763070287 652735433 /nfs/dbraw/zinc/73/54/33/652735433.db2.gz ZKFFBGOANCTMTJ-IKGGRYGDSA-N 2 2 386.631 2.033 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000763070287 652735438 /nfs/dbraw/zinc/73/54/38/652735438.db2.gz ZKFFBGOANCTMTJ-IKGGRYGDSA-N 2 2 386.631 2.033 20 0 GEADLP C[NH+](C)CC1CC[NH+](CN2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000766090667 652866258 /nfs/dbraw/zinc/86/62/58/652866258.db2.gz GTCAWEDXYCTSTL-UHFFFAOYSA-N 2 2 380.286 2.276 20 0 GEADLP NS(=O)(=O)c1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1Br ZINC000637987165 652880342 /nfs/dbraw/zinc/88/03/42/652880342.db2.gz ODIZPWNPKIFBLP-UHFFFAOYSA-N 2 2 399.314 2.199 20 0 GEADLP NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000638449507 652889689 /nfs/dbraw/zinc/88/96/89/652889689.db2.gz SHIXTONVYXHZGY-INIZCTEOSA-N 2 2 379.551 2.397 20 0 GEADLP NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000638449507 652889697 /nfs/dbraw/zinc/88/96/97/652889697.db2.gz SHIXTONVYXHZGY-INIZCTEOSA-N 2 2 379.551 2.397 20 0 GEADLP CC(C)(O)C[NH+]1CCC([NH2+][C@@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000639203966 652926810 /nfs/dbraw/zinc/92/68/10/652926810.db2.gz NVDMRLYPTYFROJ-INIZCTEOSA-N 2 2 389.309 2.447 20 0 GEADLP O=C(C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)Nc1ccc(Br)cn1 ZINC000639683023 652948462 /nfs/dbraw/zinc/94/84/62/652948462.db2.gz RHMMEMCWBWYPTM-UHFFFAOYSA-N 2 2 390.285 2.390 20 0 GEADLP O=C(C[N@H+]1CCCN(c2cc[nH+]cc2)CC1)Nc1ccc(Br)cn1 ZINC000639683023 652948466 /nfs/dbraw/zinc/94/84/66/652948466.db2.gz RHMMEMCWBWYPTM-UHFFFAOYSA-N 2 2 390.285 2.390 20 0 GEADLP CSc1ncc(Cl)c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000601477213 653098958 /nfs/dbraw/zinc/09/89/58/653098958.db2.gz GOPCULOWXFATQZ-CYBMUJFWSA-N 2 2 383.949 2.092 20 0 GEADLP CSc1ncc(Cl)c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000601477213 653098961 /nfs/dbraw/zinc/09/89/61/653098961.db2.gz GOPCULOWXFATQZ-CYBMUJFWSA-N 2 2 383.949 2.092 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc(Br)c3F)C2)CC1 ZINC000683243766 653232353 /nfs/dbraw/zinc/23/23/53/653232353.db2.gz IFYMPKGEQNUOPP-LBPRGKRZSA-N 2 2 384.293 2.487 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccc(Br)c3F)C2)CC1 ZINC000683243766 653232358 /nfs/dbraw/zinc/23/23/58/653232358.db2.gz IFYMPKGEQNUOPP-LBPRGKRZSA-N 2 2 384.293 2.487 20 0 GEADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccccc1I ZINC000809743251 653292894 /nfs/dbraw/zinc/29/28/94/653292894.db2.gz OMXRPJILLKJUDI-UHFFFAOYSA-N 2 2 387.309 2.361 20 0 GEADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccccc1I ZINC000809743251 653292899 /nfs/dbraw/zinc/29/28/99/653292899.db2.gz OMXRPJILLKJUDI-UHFFFAOYSA-N 2 2 387.309 2.361 20 0 GEADLP Cn1cc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)c(Br)n1 ZINC000858164629 653352113 /nfs/dbraw/zinc/35/21/13/653352113.db2.gz AWVSDPBQADUOOL-UHFFFAOYSA-N 2 2 382.306 2.198 20 0 GEADLP C[C@@]1(C[NH2+]Cc2ccc(S(N)(=O)=O)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000877495991 653532629 /nfs/dbraw/zinc/53/26/29/653532629.db2.gz KAPVVEDRQUTIAI-SFHVURJKSA-N 2 2 379.551 2.397 20 0 GEADLP C[C@@]1(C[NH2+]Cc2ccc(S(N)(=O)=O)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000877495991 653535573 /nfs/dbraw/zinc/53/55/73/653535573.db2.gz KAPVVEDRQUTIAI-SFHVURJKSA-N 2 2 379.551 2.397 20 0 GEADLP CN(C(=O)NC[C@]1(C)CC1(Cl)Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000838662592 653627386 /nfs/dbraw/zinc/62/73/86/653627386.db2.gz FIEKESVONRDXFZ-HOCLYGCPSA-N 2 2 377.360 2.380 20 0 GEADLP CN(C(=O)NC[C@]1(C)CC1(Cl)Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000838662592 653627388 /nfs/dbraw/zinc/62/73/88/653627388.db2.gz FIEKESVONRDXFZ-HOCLYGCPSA-N 2 2 377.360 2.380 20 0 GEADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Br)cc(C=O)c1 ZINC000862167421 653677776 /nfs/dbraw/zinc/67/77/76/653677776.db2.gz VOYZNAUTBOANOA-ZDUSSCGKSA-N 2 2 384.318 2.263 20 0 GEADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Br)cc(C=O)c1 ZINC000862167421 653677779 /nfs/dbraw/zinc/67/77/79/653677779.db2.gz VOYZNAUTBOANOA-ZDUSSCGKSA-N 2 2 384.318 2.263 20 0 GEADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2csc(Br)c2)CC1 ZINC000863550111 653715416 /nfs/dbraw/zinc/71/54/16/653715416.db2.gz ODEHHVIXTZUSCV-OLZOCXBDSA-N 2 2 386.315 2.268 20 0 GEADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC[C@H]3CSCCS3)CC2)CC1 ZINC000817776645 653719325 /nfs/dbraw/zinc/71/93/25/653719325.db2.gz AVQSMTIJBZISBT-KRWDZBQOSA-N 2 2 386.631 2.037 20 0 GEADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC[C@H]3CSCCS3)CC2)CC1 ZINC000817776645 653719327 /nfs/dbraw/zinc/71/93/27/653719327.db2.gz AVQSMTIJBZISBT-KRWDZBQOSA-N 2 2 386.631 2.037 20 0 GEADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000866714142 653814204 /nfs/dbraw/zinc/81/42/04/653814204.db2.gz HEQQJZVSGOROMP-HZSPNIEDSA-N 2 2 376.507 2.239 20 0 GEADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000866714142 653814205 /nfs/dbraw/zinc/81/42/05/653814205.db2.gz HEQQJZVSGOROMP-HZSPNIEDSA-N 2 2 376.507 2.239 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3nc(Br)ccc3F)CC2)CC1 ZINC000792114775 653834998 /nfs/dbraw/zinc/83/49/98/653834998.db2.gz PBSDUKLGJYGENV-UHFFFAOYSA-N 2 2 399.308 2.272 20 0 GEADLP Brc1cscc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883371170 653837674 /nfs/dbraw/zinc/83/76/74/653837674.db2.gz AHQXMGBGUNRLBF-OAHLLOKOSA-N 2 2 388.375 2.397 20 0 GEADLP C[C@@H]1C[N@H+](CCCCCC[NH+]2C[C@H](C)S(=O)[C@@H](C)C2)C[C@H](C)[S@]1=O ZINC000792387122 653841078 /nfs/dbraw/zinc/84/10/78/653841078.db2.gz BUAMFHWLGJJDGV-MNAFTKGFSA-N 2 2 376.632 2.229 20 0 GEADLP C[C@@H]1C[N@@H+](CCCCCC[NH+]2C[C@H](C)S(=O)[C@@H](C)C2)C[C@H](C)[S@]1=O ZINC000792387122 653841081 /nfs/dbraw/zinc/84/10/81/653841081.db2.gz BUAMFHWLGJJDGV-MNAFTKGFSA-N 2 2 376.632 2.229 20 0 GEADLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000849112936 654004990 /nfs/dbraw/zinc/00/49/90/654004990.db2.gz JYAQQMRYVXQWRR-OAHLLOKOSA-N 2 2 386.949 2.102 20 0 GEADLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000849112936 654004992 /nfs/dbraw/zinc/00/49/92/654004992.db2.gz JYAQQMRYVXQWRR-OAHLLOKOSA-N 2 2 386.949 2.102 20 0 GEADLP Cc1[nH+]ccc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1Br ZINC000891669314 654305834 /nfs/dbraw/zinc/30/58/34/654305834.db2.gz BWGSMBCGZQPDHZ-UHFFFAOYSA-N 2 2 388.273 2.156 20 0 GEADLP Oc1cc(Br)cnc1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000893030373 654376705 /nfs/dbraw/zinc/37/67/05/654376705.db2.gz NBZFZTVELARMNE-SFHVURJKSA-N 2 2 392.297 2.276 20 0 GEADLP Oc1cc(Br)cnc1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000893030373 654376711 /nfs/dbraw/zinc/37/67/11/654376711.db2.gz NBZFZTVELARMNE-SFHVURJKSA-N 2 2 392.297 2.276 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(Br)ncc1Cl ZINC000855415201 654418146 /nfs/dbraw/zinc/41/81/46/654418146.db2.gz UNXADAUUEXRIPN-UHFFFAOYSA-N 2 2 377.714 2.111 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(Br)ncc1Cl ZINC000855415201 654418149 /nfs/dbraw/zinc/41/81/49/654418149.db2.gz UNXADAUUEXRIPN-UHFFFAOYSA-N 2 2 377.714 2.111 20 0 GEADLP C[C@@H](C(=O)Nc1cccc(I)c1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519266 654459238 /nfs/dbraw/zinc/45/92/38/654459238.db2.gz PVSJUDJCDBDULY-RWMBFGLXSA-N 2 2 399.276 2.160 20 0 GEADLP C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519266 654459242 /nfs/dbraw/zinc/45/92/42/654459242.db2.gz PVSJUDJCDBDULY-RWMBFGLXSA-N 2 2 399.276 2.160 20 0 GEADLP O=S(=O)(c1cscc1C(F)F)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000923674210 654475475 /nfs/dbraw/zinc/47/54/75/654475475.db2.gz OOYXYZZOSGHISX-BETUJISGSA-N 2 2 391.509 2.275 20 0 GEADLP O=S(=O)(c1cscc1C(F)F)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000923674210 654475479 /nfs/dbraw/zinc/47/54/79/654475479.db2.gz OOYXYZZOSGHISX-BETUJISGSA-N 2 2 391.509 2.275 20 0 GEADLP CCOc1ccc(Br)cc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926012760 654556177 /nfs/dbraw/zinc/55/61/77/654556177.db2.gz OGLCWZCBLRYSPR-UHFFFAOYSA-N 2 2 385.306 2.392 20 0 GEADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2cc(F)cc(Br)c2F)CC1 ZINC000926103079 654559355 /nfs/dbraw/zinc/55/93/55/654559355.db2.gz JVWDEYJOYBDFNH-UHFFFAOYSA-N 2 2 377.233 2.272 20 0 GEADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC[S@@](=O)C(F)(F)F)C2)ccn1 ZINC000931094216 654729376 /nfs/dbraw/zinc/72/93/76/654729376.db2.gz OZIDYOJRRZPINO-ODCWNRFASA-N 2 2 379.448 2.255 20 0 GEADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC[S@@](=O)C(F)(F)F)C2)ccn1 ZINC000931094216 654729378 /nfs/dbraw/zinc/72/93/78/654729378.db2.gz OZIDYOJRRZPINO-ODCWNRFASA-N 2 2 379.448 2.255 20 0 GEADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC[S@@](=O)C(F)(F)F)C2)ccn1 ZINC000931094216 654729380 /nfs/dbraw/zinc/72/93/80/654729380.db2.gz OZIDYOJRRZPINO-ODCWNRFASA-N 2 2 379.448 2.255 20 0 GEADLP CN([C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CC1(F)CC1 ZINC000914289535 654842293 /nfs/dbraw/zinc/84/22/93/654842293.db2.gz PZYGIUFPNOZYKS-SJORKVTESA-N 2 2 375.554 2.087 20 0 GEADLP CN([C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CC1(F)CC1 ZINC000914289535 654842296 /nfs/dbraw/zinc/84/22/96/654842296.db2.gz PZYGIUFPNOZYKS-SJORKVTESA-N 2 2 375.554 2.087 20 0 GEADLP C[NH+]1CCN(c2cccc(N3CCC4(CC[NH2+]CC4)[C@H]3C(F)(F)F)[nH+]2)CC1 ZINC001164388824 718815125 /nfs/dbraw/zinc/81/51/25/718815125.db2.gz QZPMOWZUHCPQKQ-KRWDZBQOSA-N 3 2 383.462 2.344 20 0 GEADLP CCOC(=O)c1c(C)cc(N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)[nH+]c1C ZINC001164684745 719726124 /nfs/dbraw/zinc/72/61/24/719726124.db2.gz KHIHLYFOZNPBDA-UHFFFAOYSA-N 2 2 388.512 2.056 20 0 GEADLP CCOC(=O)c1c(C)cc(N2CCC3(CCC[N@H+]3CC(=O)NC)CC2)[nH+]c1C ZINC001164684745 719726136 /nfs/dbraw/zinc/72/61/36/719726136.db2.gz KHIHLYFOZNPBDA-UHFFFAOYSA-N 2 2 388.512 2.056 20 0 GEADLP Cn1cc([C@@H]2COC3(C2)CCN(c2cccc(N4CC[NH+](C)CC4)[nH+]2)CC3)cn1 ZINC001164699626 719826148 /nfs/dbraw/zinc/82/61/48/719826148.db2.gz YHIAWSNLZWMUJF-SFHVURJKSA-N 2 2 396.539 2.110 20 0 GEADLP Cc1cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc(C2CC2)[nH+]1 ZINC001164812035 720239627 /nfs/dbraw/zinc/23/96/27/720239627.db2.gz AUWHWDWKVGERHF-UHFFFAOYSA-N 2 2 382.512 2.470 20 0 GEADLP Cc1cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc(C2CC2)[nH+]1 ZINC001164812035 720239637 /nfs/dbraw/zinc/23/96/37/720239637.db2.gz AUWHWDWKVGERHF-UHFFFAOYSA-N 2 2 382.512 2.470 20 0 GEADLP C[NH+]1CCN(c2cccc(N3CCCn4cnc(C[NH2+]C5CCC5)c4C3)[nH+]2)CC1 ZINC001164838847 720738167 /nfs/dbraw/zinc/73/81/67/720738167.db2.gz YJZWFUHHXUZSNV-UHFFFAOYSA-N 3 2 395.555 2.082 20 0 GEADLP CCc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C)[nH+]1 ZINC001164746570 720838453 /nfs/dbraw/zinc/83/84/53/720838453.db2.gz ORQQLQYSGPWGQI-DFQSSKMNSA-N 2 2 381.528 2.318 20 0 GEADLP CCc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C)[nH+]1 ZINC001164746570 720838454 /nfs/dbraw/zinc/83/84/54/720838454.db2.gz ORQQLQYSGPWGQI-DFQSSKMNSA-N 2 2 381.528 2.318 20 0 GEADLP CCN(C)c1cc(C)[nH+]c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867927 721041477 /nfs/dbraw/zinc/04/14/77/721041477.db2.gz KZEKFYXGZGUYJB-OALUTQOASA-N 2 2 382.512 2.116 20 0 GEADLP CCN(C)c1cc(C)[nH+]c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867927 721041484 /nfs/dbraw/zinc/04/14/84/721041484.db2.gz KZEKFYXGZGUYJB-OALUTQOASA-N 2 2 382.512 2.116 20 0 GEADLP COC(=O)c1c(C)cc(C)[nH+]c1N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164761742 721126232 /nfs/dbraw/zinc/12/62/32/721126232.db2.gz BBKCOPSKJUXXGD-MSOLQXFVSA-N 2 2 383.496 2.177 20 0 GEADLP COC(=O)c1c(C)cc(C)[nH+]c1N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164761742 721126246 /nfs/dbraw/zinc/12/62/46/721126246.db2.gz BBKCOPSKJUXXGD-MSOLQXFVSA-N 2 2 383.496 2.177 20 0 GEADLP c1cncc(CO[C@H]2C[C@@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164872256 721138930 /nfs/dbraw/zinc/13/89/30/721138930.db2.gz HFNAFRIWVPOBPG-UXHICEINSA-N 2 2 394.523 2.342 20 0 GEADLP c1cncc(CO[C@H]2C[C@@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[N@H+]3C2)c1 ZINC001164872256 721138934 /nfs/dbraw/zinc/13/89/34/721138934.db2.gz HFNAFRIWVPOBPG-UXHICEINSA-N 2 2 394.523 2.342 20 0 GEADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c12 ZINC001164782156 721399558 /nfs/dbraw/zinc/39/95/58/721399558.db2.gz DSYURTRBZYWTKR-STQMWFEESA-N 2 2 398.492 2.159 20 0 GEADLP COCCn1ccc2c1nc[nH+]c2N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164788116 721413160 /nfs/dbraw/zinc/41/31/60/721413160.db2.gz QXFLUDMUDJMOCG-GJZGRUSLSA-N 2 2 384.509 2.102 20 0 GEADLP CC(C)Oc1cc[nH+]c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164915640 721786171 /nfs/dbraw/zinc/78/61/71/721786171.db2.gz MIGKZHABXQDSGK-JOCHJYFZSA-N 2 2 398.507 2.372 20 0 GEADLP CC(C)Oc1cc[nH+]c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164915640 721786174 /nfs/dbraw/zinc/78/61/74/721786174.db2.gz MIGKZHABXQDSGK-JOCHJYFZSA-N 2 2 398.507 2.372 20 0 GEADLP C[NH+](C)[C@H]1CCCN(c2cc(N3CCN(c4ccccc4F)CC3)[nH+]cn2)C1 ZINC001165034276 721896997 /nfs/dbraw/zinc/89/69/97/721896997.db2.gz AJTHKBYDQJKYBN-KRWDZBQOSA-N 2 2 384.503 2.473 20 0 GEADLP CCN(C)c1cc[nH+]c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164958110 722051496 /nfs/dbraw/zinc/05/14/96/722051496.db2.gz CQAFUJLXZVEBEK-UHFFFAOYSA-N 2 2 396.539 2.447 20 0 GEADLP CCN(C)c1cc[nH+]c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164958110 722051498 /nfs/dbraw/zinc/05/14/98/722051498.db2.gz CQAFUJLXZVEBEK-UHFFFAOYSA-N 2 2 396.539 2.447 20 0 GEADLP Cc1nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)cc(C(C)C)[nH+]1 ZINC001164997676 722229363 /nfs/dbraw/zinc/22/93/63/722229363.db2.gz SAQDYWSJGOFTLN-UHFFFAOYSA-N 2 2 381.528 2.055 20 0 GEADLP Cc1c[nH+]c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc1N1CCCC1 ZINC001165001730 722250158 /nfs/dbraw/zinc/25/01/58/722250158.db2.gz UIGGBGLLHOLWQK-UHFFFAOYSA-N 2 2 399.543 2.070 20 0 GEADLP OCC[NH+]1CCN(CCCC[NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000168897812 531881041 /nfs/dbraw/zinc/88/10/41/531881041.db2.gz ITTIDVAEQMIHBV-IBGZPJMESA-N 2 2 396.373 2.416 20 0 GEADLP O[C@@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129476446 532179737 /nfs/dbraw/zinc/17/97/37/532179737.db2.gz GZANNCLBPWAHOU-GDBMZVCRSA-N 2 2 389.323 2.387 20 0 GEADLP O[C@@H](COc1ccc(Cl)cc1Cl)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129476446 532179743 /nfs/dbraw/zinc/17/97/43/532179743.db2.gz GZANNCLBPWAHOU-GDBMZVCRSA-N 2 2 389.323 2.387 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000129166413 532174243 /nfs/dbraw/zinc/17/42/43/532174243.db2.gz BGDHDWMDQTUNEB-AAEUAGOBSA-N 2 2 387.265 2.350 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000129166413 532174245 /nfs/dbraw/zinc/17/42/45/532174245.db2.gz BGDHDWMDQTUNEB-AAEUAGOBSA-N 2 2 387.265 2.350 20 0 GEADLP COc1cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc(Br)c1OC(F)F ZINC000131536650 532198739 /nfs/dbraw/zinc/19/87/39/532198739.db2.gz TYDPNFIBNYTPEI-OAHLLOKOSA-N 2 2 397.260 2.461 20 0 GEADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000179486010 532232963 /nfs/dbraw/zinc/23/29/63/532232963.db2.gz FIHMVDTXMURQHE-OLMNPRSZSA-N 2 2 393.329 2.259 20 0 GEADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000179486010 532232966 /nfs/dbraw/zinc/23/29/66/532232966.db2.gz FIHMVDTXMURQHE-OLMNPRSZSA-N 2 2 393.329 2.259 20 0 GEADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000647530018 532375519 /nfs/dbraw/zinc/37/55/19/532375519.db2.gz CNGSOWGRVUKQOT-HUUCEWRRSA-N 2 2 377.312 2.170 20 0 GEADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000647530018 532375528 /nfs/dbraw/zinc/37/55/28/532375528.db2.gz CNGSOWGRVUKQOT-HUUCEWRRSA-N 2 2 377.312 2.170 20 0 GEADLP COc1cc2[nH+]ccc(N[C@@H](C)CN3CC[NH+](C)CC3)c2cc1Br ZINC000425235069 532377785 /nfs/dbraw/zinc/37/77/85/532377785.db2.gz YMBIIYNJELHODB-ZDUSSCGKSA-N 2 2 393.329 2.476 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3sccc3Br)C2)CC1 ZINC000648316251 532393265 /nfs/dbraw/zinc/39/32/65/532393265.db2.gz VCDKZLZPNLGGGG-GFCCVEGCSA-N 2 2 386.359 2.338 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3sccc3Br)C2)CC1 ZINC000648316251 532393272 /nfs/dbraw/zinc/39/32/72/532393272.db2.gz VCDKZLZPNLGGGG-GFCCVEGCSA-N 2 2 386.359 2.338 20 0 GEADLP Fc1cc(Br)cc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000648452347 532398865 /nfs/dbraw/zinc/39/88/65/532398865.db2.gz YIBUKQXXKOJYNX-QGZVFWFLSA-N 2 2 386.309 2.084 20 0 GEADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc2c(cc1Br)OCCO2 ZINC000678755416 532401540 /nfs/dbraw/zinc/40/15/40/532401540.db2.gz DCVDXMFUAKXFOH-STQMWFEESA-N 2 2 385.302 2.328 20 0 GEADLP C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000517231139 532409120 /nfs/dbraw/zinc/40/91/20/532409120.db2.gz SNPUJAIQGFIXNS-JSGCOSHPSA-N 2 2 375.332 2.295 20 0 GEADLP C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CC[N@H+]1C ZINC000517231139 532409128 /nfs/dbraw/zinc/40/91/28/532409128.db2.gz SNPUJAIQGFIXNS-JSGCOSHPSA-N 2 2 375.332 2.295 20 0 GEADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430606365 532502283 /nfs/dbraw/zinc/50/22/83/532502283.db2.gz VGZJPBQZXMQXQY-NEPJUHHUSA-N 2 2 387.265 2.289 20 0 GEADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430606365 532502287 /nfs/dbraw/zinc/50/22/87/532502287.db2.gz VGZJPBQZXMQXQY-NEPJUHHUSA-N 2 2 387.265 2.289 20 0 GEADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000563356734 532502702 /nfs/dbraw/zinc/50/27/02/532502702.db2.gz YOBLOOZHBQLYOB-DZGCQCFKSA-N 2 2 380.286 2.412 20 0 GEADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000563356734 532502707 /nfs/dbraw/zinc/50/27/07/532502707.db2.gz YOBLOOZHBQLYOB-DZGCQCFKSA-N 2 2 380.286 2.412 20 0 GEADLP CC[NH+]1CCN(CCC(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)CC1 ZINC000469481566 532503651 /nfs/dbraw/zinc/50/36/51/532503651.db2.gz JFWFBUQPOBKATH-UHFFFAOYSA-N 2 2 397.361 2.477 20 0 GEADLP CCN1CC[NH+](CCC(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)CC1 ZINC000469481566 532503656 /nfs/dbraw/zinc/50/36/56/532503656.db2.gz JFWFBUQPOBKATH-UHFFFAOYSA-N 2 2 397.361 2.477 20 0 GEADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000563356761 532501630 /nfs/dbraw/zinc/50/16/30/532501630.db2.gz YOBLOOZHBQLYOB-ZFWWWQNUSA-N 2 2 380.286 2.412 20 0 GEADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000563356761 532501632 /nfs/dbraw/zinc/50/16/32/532501632.db2.gz YOBLOOZHBQLYOB-ZFWWWQNUSA-N 2 2 380.286 2.412 20 0 GEADLP Cn1c[nH+]cc1CCC[NH+]1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000653482463 532535848 /nfs/dbraw/zinc/53/58/48/532535848.db2.gz OUWSXKZZXVEGKX-UHFFFAOYSA-N 2 2 382.917 2.013 20 0 GEADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000653594972 532536975 /nfs/dbraw/zinc/53/69/75/532536975.db2.gz ONGFBARBJYZCQH-INIZCTEOSA-N 2 2 390.355 2.445 20 0 GEADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000653594972 532536984 /nfs/dbraw/zinc/53/69/84/532536984.db2.gz ONGFBARBJYZCQH-INIZCTEOSA-N 2 2 390.355 2.445 20 0 GEADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000653594972 532536989 /nfs/dbraw/zinc/53/69/89/532536989.db2.gz ONGFBARBJYZCQH-INIZCTEOSA-N 2 2 390.355 2.445 20 0 GEADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000653594972 532536992 /nfs/dbraw/zinc/53/69/92/532536992.db2.gz ONGFBARBJYZCQH-INIZCTEOSA-N 2 2 390.355 2.445 20 0 GEADLP O=C(CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1)Nc1ccccc1Br ZINC000653645393 532537932 /nfs/dbraw/zinc/53/79/32/532537932.db2.gz KOOZAWFHTAYQPZ-UHFFFAOYSA-N 2 2 378.274 2.323 20 0 GEADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(Cl)cc3Cl)C2)nn1 ZINC000521846073 532519539 /nfs/dbraw/zinc/51/95/39/532519539.db2.gz GWGODTRVIIZTQF-CYBMUJFWSA-N 2 2 383.283 2.319 20 0 GEADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(Cl)cc3Cl)C2)nn1 ZINC000521846073 532519543 /nfs/dbraw/zinc/51/95/43/532519543.db2.gz GWGODTRVIIZTQF-CYBMUJFWSA-N 2 2 383.283 2.319 20 0 GEADLP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](O)c3cccc(Br)c3)C2)CC1 ZINC000245910816 532526094 /nfs/dbraw/zinc/52/60/94/532526094.db2.gz JHWOPNXRZAWHJB-ZWKOTPCHSA-N 2 2 382.346 2.194 20 0 GEADLP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](O)c3cccc(Br)c3)C2)CC1 ZINC000245910816 532526104 /nfs/dbraw/zinc/52/61/04/532526104.db2.gz JHWOPNXRZAWHJB-ZWKOTPCHSA-N 2 2 382.346 2.194 20 0 GEADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000472295247 532569730 /nfs/dbraw/zinc/56/97/30/532569730.db2.gz QVDSPMGWHKWBCI-HNNXBMFYSA-N 2 2 399.333 2.215 20 0 GEADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000472295247 532569733 /nfs/dbraw/zinc/56/97/33/532569733.db2.gz QVDSPMGWHKWBCI-HNNXBMFYSA-N 2 2 399.333 2.215 20 0 GEADLP C[NH+](C)C1(CS(=O)(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000631683793 532556270 /nfs/dbraw/zinc/55/62/70/532556270.db2.gz NJHBVPWOWGGHBD-UHFFFAOYSA-N 2 2 385.961 2.318 20 0 GEADLP C[C@@H]1C[N@H+](Cc2ccc(Br)cc2C[NH+]2C[C@H](C)[C@H](O)C2)C[C@@H]1O ZINC000433239701 532559358 /nfs/dbraw/zinc/55/93/58/532559358.db2.gz IIJYFZWVQROGFJ-XLQHLMKVSA-N 2 2 383.330 2.074 20 0 GEADLP C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2C[NH+]2C[C@H](C)[C@H](O)C2)C[C@@H]1O ZINC000433239701 532559365 /nfs/dbraw/zinc/55/93/65/532559365.db2.gz IIJYFZWVQROGFJ-XLQHLMKVSA-N 2 2 383.330 2.074 20 0 GEADLP C[C@@H]1C[NH+](Cc2ccc(Br)cc2C[N@@H+]2C[C@H](C)[C@H](O)C2)C[C@@H]1O ZINC000433239701 532559372 /nfs/dbraw/zinc/55/93/72/532559372.db2.gz IIJYFZWVQROGFJ-XLQHLMKVSA-N 2 2 383.330 2.074 20 0 GEADLP C[C@@H]1C[NH+](Cc2ccc(Br)cc2C[N@H+]2C[C@H](C)[C@H](O)C2)C[C@@H]1O ZINC000433239701 532559377 /nfs/dbraw/zinc/55/93/77/532559377.db2.gz IIJYFZWVQROGFJ-XLQHLMKVSA-N 2 2 383.330 2.074 20 0 GEADLP C[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000631835781 532562967 /nfs/dbraw/zinc/56/29/67/532562967.db2.gz XLWOTHRHMLBXKC-LBPRGKRZSA-N 2 2 389.283 2.442 20 0 GEADLP C[N@H+](Cc1nc(C(C)(C)[NH3+])no1)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000631835781 532562974 /nfs/dbraw/zinc/56/29/74/532562974.db2.gz XLWOTHRHMLBXKC-LBPRGKRZSA-N 2 2 389.283 2.442 20 0 GEADLP COc1cc(Br)ccc1C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000261964213 532580410 /nfs/dbraw/zinc/58/04/10/532580410.db2.gz HOTKCDZIVBLHQD-OAHLLOKOSA-N 2 2 384.318 2.277 20 0 GEADLP COc1cc(Br)ccc1C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000261964213 532580416 /nfs/dbraw/zinc/58/04/16/532580416.db2.gz HOTKCDZIVBLHQD-OAHLLOKOSA-N 2 2 384.318 2.277 20 0 GEADLP Cc1sc(C[NH+]2CCC([NH3+])CC2)nc1-c1ccc(NS(C)(=O)=O)cc1 ZINC000434661063 532598122 /nfs/dbraw/zinc/59/81/22/532598122.db2.gz GGGGUNVBGLJEKY-UHFFFAOYSA-N 2 2 380.539 2.413 20 0 GEADLP Cc1cc(Br)cn2c(C[NH2+][C@@H]3CCc4c(nnn4C)C3)c[nH+]c12 ZINC000655840724 532601445 /nfs/dbraw/zinc/60/14/45/532601445.db2.gz INYSGJUEAHXSLX-GFCCVEGCSA-N 2 2 375.274 2.181 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(Br)ccn1 ZINC000285015389 532640526 /nfs/dbraw/zinc/64/05/26/532640526.db2.gz HFIWTNGENZIKFY-UHFFFAOYSA-N 2 2 384.322 2.334 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(Br)ccn1 ZINC000285015389 532640527 /nfs/dbraw/zinc/64/05/27/532640527.db2.gz HFIWTNGENZIKFY-UHFFFAOYSA-N 2 2 384.322 2.334 20 0 GEADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000567167518 532642949 /nfs/dbraw/zinc/64/29/49/532642949.db2.gz ZQJWUNQHDZHQKS-JHJVBQTASA-N 2 2 399.276 2.160 20 0 GEADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000567167518 532642952 /nfs/dbraw/zinc/64/29/52/532642952.db2.gz ZQJWUNQHDZHQKS-JHJVBQTASA-N 2 2 399.276 2.160 20 0 GEADLP Brc1ccc(-n2cc(C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)cn2)cc1 ZINC000567159415 532643231 /nfs/dbraw/zinc/64/32/31/532643231.db2.gz YJCGNPCVADEITR-ZWKOTPCHSA-N 2 2 391.313 2.491 20 0 GEADLP Cc1nn(C)c(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1Br ZINC000377689381 532667666 /nfs/dbraw/zinc/66/76/66/532667666.db2.gz DTYMFDQCJGFNKH-OAHLLOKOSA-N 2 2 384.366 2.093 20 0 GEADLP Cc1nn(C)c(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1Br ZINC000377689381 532667670 /nfs/dbraw/zinc/66/76/70/532667670.db2.gz DTYMFDQCJGFNKH-OAHLLOKOSA-N 2 2 384.366 2.093 20 0 GEADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2cc(Br)ccc2OC)CC1 ZINC000532745287 532654713 /nfs/dbraw/zinc/65/47/13/532654713.db2.gz PHNMLDLOPSTEHY-CQSZACIVSA-N 2 2 398.345 2.442 20 0 GEADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2cc(Br)ccc2OC)CC1 ZINC000532745287 532654714 /nfs/dbraw/zinc/65/47/14/532654714.db2.gz PHNMLDLOPSTEHY-CQSZACIVSA-N 2 2 398.345 2.442 20 0 GEADLP [NH3+]C[C@H]1C[N@H+](Cc2cc3c(c(Br)c2)OCO3)CC12CCOCC2 ZINC000567870990 532669091 /nfs/dbraw/zinc/66/90/91/532669091.db2.gz DGAQGJPGBORFRP-ZDUSSCGKSA-N 2 2 383.286 2.365 20 0 GEADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc3c(c(Br)c2)OCO3)CC12CCOCC2 ZINC000567870990 532669095 /nfs/dbraw/zinc/66/90/95/532669095.db2.gz DGAQGJPGBORFRP-ZDUSSCGKSA-N 2 2 383.286 2.365 20 0 GEADLP CCSc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(Br)c1 ZINC000600707612 532680238 /nfs/dbraw/zinc/68/02/38/532680238.db2.gz CNFCAIBBSVNQPI-SWLSCSKDSA-N 2 2 384.343 2.305 20 0 GEADLP CCSc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(Br)c1 ZINC000600707612 532680246 /nfs/dbraw/zinc/68/02/46/532680246.db2.gz CNFCAIBBSVNQPI-SWLSCSKDSA-N 2 2 384.343 2.305 20 0 GEADLP Cc1ccc(Br)cc1-c1nnc(N2CC[N@@H+](C)C[C@H]2C[NH3+])s1 ZINC000568611248 532683388 /nfs/dbraw/zinc/68/33/88/532683388.db2.gz MOOYGEMSSQCDOR-GFCCVEGCSA-N 2 2 382.331 2.355 20 0 GEADLP Cc1ccc(Br)cc1-c1nnc(N2CC[N@H+](C)C[C@H]2C[NH3+])s1 ZINC000568611248 532683393 /nfs/dbraw/zinc/68/33/93/532683393.db2.gz MOOYGEMSSQCDOR-GFCCVEGCSA-N 2 2 382.331 2.355 20 0 GEADLP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)Nc1ccc(Br)cc1)CCO2 ZINC000646104966 532723338 /nfs/dbraw/zinc/72/33/38/532723338.db2.gz YYMOEXPHDQLNDF-UHFFFAOYSA-N 2 2 382.302 2.184 20 0 GEADLP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)Nc1ccc(Br)cc1)CCO2 ZINC000646104966 532723341 /nfs/dbraw/zinc/72/33/41/532723341.db2.gz YYMOEXPHDQLNDF-UHFFFAOYSA-N 2 2 382.302 2.184 20 0 GEADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000539491329 532731457 /nfs/dbraw/zinc/73/14/57/532731457.db2.gz OBQUMWKLSMUSLV-UHFFFAOYSA-N 2 2 385.339 2.280 20 0 GEADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000539491329 532731462 /nfs/dbraw/zinc/73/14/62/532731462.db2.gz OBQUMWKLSMUSLV-UHFFFAOYSA-N 2 2 385.339 2.280 20 0 GEADLP C[N@H+](CC(=O)Nc1ccc(I)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442757304 532735044 /nfs/dbraw/zinc/73/50/44/532735044.db2.gz LYNGFYXFGTVSQX-YIONKMFJSA-N 2 2 399.276 2.445 20 0 GEADLP C[N@@H+](CC(=O)Nc1ccc(I)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442757304 532735049 /nfs/dbraw/zinc/73/50/49/532735049.db2.gz LYNGFYXFGTVSQX-YIONKMFJSA-N 2 2 399.276 2.445 20 0 GEADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000675781816 532741257 /nfs/dbraw/zinc/74/12/57/532741257.db2.gz CCOPQPHQZBWGAU-OAHLLOKOSA-N 2 2 382.302 2.026 20 0 GEADLP COC(=O)c1sc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nc1Cl ZINC000301848394 532761175 /nfs/dbraw/zinc/76/11/75/532761175.db2.gz OCGDMLXHHIDABZ-FUNVUKJBSA-N 2 2 384.933 2.330 20 0 GEADLP COC(=O)c1sc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nc1Cl ZINC000301848394 532761178 /nfs/dbraw/zinc/76/11/78/532761178.db2.gz OCGDMLXHHIDABZ-FUNVUKJBSA-N 2 2 384.933 2.330 20 0 GEADLP COc1c(Br)cccc1C[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000271525290 532807688 /nfs/dbraw/zinc/80/76/88/532807688.db2.gz QZXBNPFARVQOER-UHFFFAOYSA-N 2 2 384.318 2.100 20 0 GEADLP Cc1cc(NC(=O)C[NH2+]Cc2c[nH+]c(N(C)C)n2C)ccc1Br ZINC000414354234 532821976 /nfs/dbraw/zinc/82/19/76/532821976.db2.gz UMIJPNNNDRZGFD-UHFFFAOYSA-N 2 2 380.290 2.285 20 0 GEADLP COc1cc(C[NH2+][C@@H]2CCC[NH2+]C2)cc(I)c1OC ZINC000414869582 532835701 /nfs/dbraw/zinc/83/57/01/532835701.db2.gz RKWPWHLOGDOGRK-LLVKDONJSA-N 2 2 376.238 2.150 20 0 GEADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000414967141 532836426 /nfs/dbraw/zinc/83/64/26/532836426.db2.gz POSNEPUMRWHMOR-NSHDSACASA-N 2 2 377.124 2.205 20 0 GEADLP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCO[C@H](c3cccc(Br)c3)C2)C1 ZINC000414751598 532834957 /nfs/dbraw/zinc/83/49/57/532834957.db2.gz SSTHNFFPUPDNGB-PBHICJAKSA-N 2 2 396.329 2.020 20 0 GEADLP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCO[C@H](c3cccc(Br)c3)C2)C1 ZINC000414751598 532834958 /nfs/dbraw/zinc/83/49/58/532834958.db2.gz SSTHNFFPUPDNGB-PBHICJAKSA-N 2 2 396.329 2.020 20 0 GEADLP COc1cc(C[NH2+]C[C@@H]([NH3+])C(C)C)cc(I)c1OC ZINC000414789092 532835254 /nfs/dbraw/zinc/83/52/54/532835254.db2.gz DYIHLAFEGAPGRL-GFCCVEGCSA-N 2 2 378.254 2.381 20 0 GEADLP O=C1N[C@H]2C[N@H+](Cc3cccc(Br)c3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415137706 532838580 /nfs/dbraw/zinc/83/85/80/532838580.db2.gz JCPDIBPIXLLXJE-IRXDYDNUSA-N 2 2 393.329 2.169 20 0 GEADLP O=C1N[C@H]2C[N@@H+](Cc3cccc(Br)c3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415137706 532838582 /nfs/dbraw/zinc/83/85/82/532838582.db2.gz JCPDIBPIXLLXJE-IRXDYDNUSA-N 2 2 393.329 2.169 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3CCC[N@@H+](C)CC3)[nH+]c12 ZINC000274201203 532843816 /nfs/dbraw/zinc/84/38/16/532843816.db2.gz MBWVTPWHPYXKNI-UHFFFAOYSA-N 2 2 380.290 2.252 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3CCC[N@H+](C)CC3)[nH+]c12 ZINC000274201203 532843819 /nfs/dbraw/zinc/84/38/19/532843819.db2.gz MBWVTPWHPYXKNI-UHFFFAOYSA-N 2 2 380.290 2.252 20 0 GEADLP CCS(=O)(=O)c1c(Cl)cccc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000289425820 532854731 /nfs/dbraw/zinc/85/47/31/532854731.db2.gz JXCHZTZKYGMWNF-UHFFFAOYSA-N 2 2 387.977 2.203 20 0 GEADLP CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000289425820 532854735 /nfs/dbraw/zinc/85/47/35/532854735.db2.gz JXCHZTZKYGMWNF-UHFFFAOYSA-N 2 2 387.977 2.203 20 0 GEADLP Cc1cc[nH+]cc1CCC[N@H+](CC(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000289876008 532867064 /nfs/dbraw/zinc/86/70/64/532867064.db2.gz WNFHZNSWCWBNAO-UHFFFAOYSA-N 2 2 375.485 2.314 20 0 GEADLP Cc1cc[nH+]cc1CCC[N@@H+](CC(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000289876008 532867068 /nfs/dbraw/zinc/86/70/68/532867068.db2.gz WNFHZNSWCWBNAO-UHFFFAOYSA-N 2 2 375.485 2.314 20 0 GEADLP Cc1nn(C)c(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1Br ZINC000333356252 532867279 /nfs/dbraw/zinc/86/72/79/532867279.db2.gz WSEKGEZGBLCGDM-ZBFHGGJFSA-N 2 2 385.350 2.349 20 0 GEADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3csc(Br)c3)CC2)CC1 ZINC000289928120 532868263 /nfs/dbraw/zinc/86/82/63/532868263.db2.gz WGLRXEMYYKCRLQ-UHFFFAOYSA-N 2 2 386.359 2.497 20 0 GEADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000291058069 532895705 /nfs/dbraw/zinc/89/57/05/532895705.db2.gz OSHMZJQANZDHAT-QGZVFWFLSA-N 2 2 399.329 2.490 20 0 GEADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](CO)c2ccc(Br)cc2)CC1 ZINC000291142606 532896790 /nfs/dbraw/zinc/89/67/90/532896790.db2.gz GGAJLFLWYZHADP-KRWDZBQOSA-N 2 2 399.329 2.490 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)COc3ccc(Br)cc3)C2)CC1 ZINC000363338135 532898551 /nfs/dbraw/zinc/89/85/51/532898551.db2.gz AEHGFPUWCPIADJ-OAHLLOKOSA-N 2 2 396.329 2.113 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)COc3ccc(Br)cc3)C2)CC1 ZINC000363338135 532898552 /nfs/dbraw/zinc/89/85/52/532898552.db2.gz AEHGFPUWCPIADJ-OAHLLOKOSA-N 2 2 396.329 2.113 20 0 GEADLP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292096421 532913044 /nfs/dbraw/zinc/91/30/44/532913044.db2.gz HIPUHYSFOOMCSD-MRXNPFEDSA-N 2 2 386.359 2.497 20 0 GEADLP CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292096421 532913046 /nfs/dbraw/zinc/91/30/46/532913046.db2.gz HIPUHYSFOOMCSD-MRXNPFEDSA-N 2 2 386.359 2.497 20 0 GEADLP CN(Cc1cc(Br)cs1)C(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292096421 532913047 /nfs/dbraw/zinc/91/30/47/532913047.db2.gz HIPUHYSFOOMCSD-MRXNPFEDSA-N 2 2 386.359 2.497 20 0 GEADLP CN(Cc1cc(Br)cs1)C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292096421 532913049 /nfs/dbraw/zinc/91/30/49/532913049.db2.gz HIPUHYSFOOMCSD-MRXNPFEDSA-N 2 2 386.359 2.497 20 0 GEADLP O[C@@H]1CCC[C@H]1[NH+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)CC1 ZINC000367460683 532925155 /nfs/dbraw/zinc/92/51/55/532925155.db2.gz HAOCQUFXZXPAAL-HZPDHXFCSA-N 2 2 379.302 2.128 20 0 GEADLP CC(C)[C@@H](CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000294033386 532934943 /nfs/dbraw/zinc/93/49/43/532934943.db2.gz HVPYCXQKWCMFCS-SJLPKXTDSA-N 2 2 398.345 2.096 20 0 GEADLP Cc1nc(C(F)(F)F)c(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)s1 ZINC000368708440 532933713 /nfs/dbraw/zinc/93/37/13/532933713.db2.gz XRMCNOHNHSJEII-UHFFFAOYSA-N 2 2 379.448 2.129 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(Br)cc3F)C2)CC1 ZINC000369275814 532937666 /nfs/dbraw/zinc/93/76/66/532937666.db2.gz YXNWJARUXJMLCC-ZDUSSCGKSA-N 2 2 384.293 2.487 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(Br)cc3F)C2)CC1 ZINC000369275814 532937668 /nfs/dbraw/zinc/93/76/68/532937668.db2.gz YXNWJARUXJMLCC-ZDUSSCGKSA-N 2 2 384.293 2.487 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3ccc(F)c(Br)c3)C2)CC1 ZINC000369275221 532937873 /nfs/dbraw/zinc/93/78/73/532937873.db2.gz WNYWATBQLDOYTA-AWEZNQCLSA-N 2 2 398.320 2.415 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3ccc(F)c(Br)c3)C2)CC1 ZINC000369275221 532937875 /nfs/dbraw/zinc/93/78/75/532937875.db2.gz WNYWATBQLDOYTA-AWEZNQCLSA-N 2 2 398.320 2.415 20 0 GEADLP C[C@@H]1CN(C(=O)c2ccc(Br)cc2O)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000370717604 532944959 /nfs/dbraw/zinc/94/49/59/532944959.db2.gz WBKOHBPISXASIX-CYBMUJFWSA-N 2 2 396.329 2.395 20 0 GEADLP CN(C(=O)c1ccncc1Br)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370573973 532944372 /nfs/dbraw/zinc/94/43/72/532944372.db2.gz NQQACYYEHWLQDP-AWEZNQCLSA-N 2 2 381.318 2.085 20 0 GEADLP CN(C(=O)c1ccncc1Br)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370573973 532944373 /nfs/dbraw/zinc/94/43/73/532944373.db2.gz NQQACYYEHWLQDP-AWEZNQCLSA-N 2 2 381.318 2.085 20 0 GEADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737503789 598356825 /nfs/dbraw/zinc/35/68/25/598356825.db2.gz YYSDNGBHQFNIDI-GUYCJALGSA-N 2 2 380.456 2.036 20 0 GEADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737503789 598356828 /nfs/dbraw/zinc/35/68/28/598356828.db2.gz YYSDNGBHQFNIDI-GUYCJALGSA-N 2 2 380.456 2.036 20 0 GEADLP O=C(CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737838200 598762942 /nfs/dbraw/zinc/76/29/42/598762942.db2.gz KIIXDVPJUCEQFS-CYBMUJFWSA-N 2 2 398.496 2.086 20 0 GEADLP O=C(CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737838200 598762945 /nfs/dbraw/zinc/76/29/45/598762945.db2.gz KIIXDVPJUCEQFS-CYBMUJFWSA-N 2 2 398.496 2.086 20 0 GEADLP COc1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1-c1nn[nH]n1 ZINC000821814052 599399874 /nfs/dbraw/zinc/39/98/74/599399874.db2.gz SUKKNGUKHFPNDC-UHFFFAOYSA-N 2 2 378.480 2.413 20 0 GEADLP COc1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1-c1nn[nH]n1 ZINC000821814052 599399877 /nfs/dbraw/zinc/39/98/77/599399877.db2.gz SUKKNGUKHFPNDC-UHFFFAOYSA-N 2 2 378.480 2.413 20 0 GEADLP CCOCC[N@@H+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)C[C@H]1C ZINC000821378170 599533707 /nfs/dbraw/zinc/53/37/07/599533707.db2.gz KIMZWEUEENZMEW-OAHLLOKOSA-N 2 2 381.484 2.270 20 0 GEADLP CCOCC[N@H+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)C[C@H]1C ZINC000821378170 599533708 /nfs/dbraw/zinc/53/37/08/599533708.db2.gz KIMZWEUEENZMEW-OAHLLOKOSA-N 2 2 381.484 2.270 20 0 GEADLP C[N@@H+]1CCCC[C@H]1CN1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000821625647 599544365 /nfs/dbraw/zinc/54/43/65/599544365.db2.gz SPAKANKFHCHQBI-INIZCTEOSA-N 2 2 392.511 2.021 20 0 GEADLP C[N@H+]1CCCC[C@H]1CN1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000821625647 599544366 /nfs/dbraw/zinc/54/43/66/599544366.db2.gz SPAKANKFHCHQBI-INIZCTEOSA-N 2 2 392.511 2.021 20 0 GEADLP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)c2cccs2)CC1 ZINC000821627219 606404362 /nfs/dbraw/zinc/40/43/62/606404362.db2.gz RVPAEQNZIPWGQD-AWEZNQCLSA-N 2 2 389.554 2.068 20 0 GEADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000822476971 606616548 /nfs/dbraw/zinc/61/65/48/606616548.db2.gz BNQCQVJSRHZXFJ-MRXNPFEDSA-N 2 2 391.439 2.086 20 0 GEADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000822476971 606616550 /nfs/dbraw/zinc/61/65/50/606616550.db2.gz BNQCQVJSRHZXFJ-MRXNPFEDSA-N 2 2 391.439 2.086 20 0 GEADLP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823689302 606858791 /nfs/dbraw/zinc/85/87/91/606858791.db2.gz DFXRTRDIQODNFQ-GOSISDBHSA-N 2 2 379.399 2.015 20 0 GEADLP C[NH+](C)C1CC[NH+](CCNc2ccc(C(F)(F)F)cc2-c2nn[nH]n2)CC1 ZINC000821583411 606942225 /nfs/dbraw/zinc/94/22/25/606942225.db2.gz UQKOSMKZHKRLFW-UHFFFAOYSA-N 2 2 383.422 2.323 20 0 GEADLP C[C@@H]1C[NH+](CCCCNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C[C@@H](C)O1 ZINC000820761283 607173786 /nfs/dbraw/zinc/17/37/86/607173786.db2.gz WUIGWTPOZSMZGN-HUUCEWRRSA-N 2 2 381.484 2.138 20 0 GEADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824991546 608283982 /nfs/dbraw/zinc/28/39/82/608283982.db2.gz CEHFJIUUPZELJD-IFXJQAMLSA-N 2 2 381.459 2.401 20 0 GEADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824991546 608283983 /nfs/dbraw/zinc/28/39/83/608283983.db2.gz CEHFJIUUPZELJD-IFXJQAMLSA-N 2 2 381.459 2.401 20 0 GEADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(-c2nn[nH]n2)o1 ZINC000826022267 608741000 /nfs/dbraw/zinc/74/10/00/608741000.db2.gz HWELSRDTYHNDEL-UHFFFAOYSA-N 3 2 387.532 2.088 20 0 GEADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(-c2nn[nH]n2)o1 ZINC000826022267 608741004 /nfs/dbraw/zinc/74/10/04/608741004.db2.gz HWELSRDTYHNDEL-UHFFFAOYSA-N 3 2 387.532 2.088 20 0 GEADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824577001 609146268 /nfs/dbraw/zinc/14/62/68/609146268.db2.gz FTLOJYYSSDHRFI-QVKFZJNVSA-N 2 2 396.470 2.293 20 0 GEADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824577001 609146273 /nfs/dbraw/zinc/14/62/73/609146273.db2.gz FTLOJYYSSDHRFI-QVKFZJNVSA-N 2 2 396.470 2.293 20 0 GEADLP C[C@@H]([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000824562020 609441193 /nfs/dbraw/zinc/44/11/93/609441193.db2.gz BCZKRHHRVOMNLR-GFCCVEGCSA-N 2 2 394.464 2.403 20 0 GEADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H]2CCOc3c(Br)cccc32)CC1 ZINC000501543806 650394758 /nfs/dbraw/zinc/39/47/58/650394758.db2.gz AYADCBSRHFZSGE-BBRMVZONSA-N 2 2 396.329 2.415 20 0 GEADLP COc1c(Br)cccc1C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000479557212 650606477 /nfs/dbraw/zinc/60/64/77/650606477.db2.gz SRYSFXWSLVKQBL-MRXNPFEDSA-N 2 2 398.345 2.490 20 0 GEADLP COc1c(Br)cccc1C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000479557212 650606479 /nfs/dbraw/zinc/60/64/79/650606479.db2.gz SRYSFXWSLVKQBL-MRXNPFEDSA-N 2 2 398.345 2.490 20 0 GEADLP Cc1cc(N2CC[C@H]([NH2+][C@@H](C)C[C@H]3COCC[NH2+]3)C2=O)ccc1Br ZINC000521423708 650617250 /nfs/dbraw/zinc/61/72/50/650617250.db2.gz IPZTWPKFRXVEMI-ZQIUZPCESA-N 2 2 396.329 2.219 20 0 GEADLP CC[C@@H](Cc1ccccc1Br)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000481849204 650654705 /nfs/dbraw/zinc/65/47/05/650654705.db2.gz VJXXMFZOHVVVJN-INIZCTEOSA-N 2 2 382.346 2.476 20 0 GEADLP CC[C@@H](Cc1ccccc1Br)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000481849204 650654709 /nfs/dbraw/zinc/65/47/09/650654709.db2.gz VJXXMFZOHVVVJN-INIZCTEOSA-N 2 2 382.346 2.476 20 0 GEADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000487755278 650737588 /nfs/dbraw/zinc/73/75/88/650737588.db2.gz TUEPCPUBZTXFIW-UKRRQHHQSA-N 2 2 395.301 2.465 20 0 GEADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000487755278 650737594 /nfs/dbraw/zinc/73/75/94/650737594.db2.gz TUEPCPUBZTXFIW-UKRRQHHQSA-N 2 2 395.301 2.465 20 0 GEADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000487755277 650737675 /nfs/dbraw/zinc/73/76/75/650737675.db2.gz TUEPCPUBZTXFIW-HIFRSBDPSA-N 2 2 395.301 2.465 20 0 GEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000487755277 650737680 /nfs/dbraw/zinc/73/76/80/650737680.db2.gz TUEPCPUBZTXFIW-HIFRSBDPSA-N 2 2 395.301 2.465 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCSCC(F)(F)F)CC2)CC1 ZINC000536721646 650806445 /nfs/dbraw/zinc/80/64/45/650806445.db2.gz BLPYVNKCUOKGSN-UHFFFAOYSA-N 2 2 382.496 2.140 20 0 GEADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2sccc2Br)CC1 ZINC000540296450 650862572 /nfs/dbraw/zinc/86/25/72/650862572.db2.gz QMMNBMPKJNDQQU-UHFFFAOYSA-N 2 2 375.332 2.170 20 0 GEADLP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000154313306 644034008 /nfs/dbraw/zinc/03/40/08/644034008.db2.gz WHRJLAFPJHJWPB-GXTWGEPZSA-N 2 2 390.265 2.017 20 0 GEADLP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000154313523 644034165 /nfs/dbraw/zinc/03/41/65/644034165.db2.gz WHRJLAFPJHJWPB-JSGCOSHPSA-N 2 2 390.265 2.017 20 0 GEADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000546563575 651001782 /nfs/dbraw/zinc/00/17/82/651001782.db2.gz LZOUVNVFNUWKGF-SFHVURJKSA-N 2 2 393.329 2.408 20 0 GEADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000546563575 651001785 /nfs/dbraw/zinc/00/17/85/651001785.db2.gz LZOUVNVFNUWKGF-SFHVURJKSA-N 2 2 393.329 2.408 20 0 GEADLP C[C@H]1CC[N@H+](CC(=O)Nc2cccc(I)c2)C[C@H]1C[NH3+] ZINC000253180018 645568091 /nfs/dbraw/zinc/56/80/91/645568091.db2.gz DFGQWGJWUDYZTB-NWDGAFQWSA-N 2 2 387.265 2.146 20 0 GEADLP C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(I)c2)C[C@H]1C[NH3+] ZINC000253180018 645568095 /nfs/dbraw/zinc/56/80/95/645568095.db2.gz DFGQWGJWUDYZTB-NWDGAFQWSA-N 2 2 387.265 2.146 20 0 GEADLP CC(C)OCC[NH+]1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261882500 645608457 /nfs/dbraw/zinc/60/84/57/645608457.db2.gz ZIJSAPDCKYUYJA-GOSISDBHSA-N 2 2 398.345 2.192 20 0 GEADLP Cn1cc[nH+]c1N1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000266967148 645868269 /nfs/dbraw/zinc/86/82/69/645868269.db2.gz YMWQSDMIFLXMIU-UHFFFAOYSA-N 2 2 392.301 2.333 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@@H](C[NH3+])C[C@H]3C)[nH+]c12 ZINC000418025311 648271735 /nfs/dbraw/zinc/27/17/35/648271735.db2.gz UXZKJQYJPNMURC-CHWSQXEVSA-N 2 2 394.317 2.326 20 0 GEADLP O=C(NC1CC[NH2+]CC1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000418301914 648292074 /nfs/dbraw/zinc/29/20/74/648292074.db2.gz ANJCTUFACQUILQ-UHFFFAOYSA-N 2 2 396.289 2.202 20 0 GEADLP C[NH2+]C[C@@H](C)CNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000418389560 648295639 /nfs/dbraw/zinc/29/56/39/648295639.db2.gz OFCCZIBCBBJQII-CYBMUJFWSA-N 2 2 398.305 2.306 20 0 GEADLP [NH3+]CCCCNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000418516976 648299574 /nfs/dbraw/zinc/29/95/74/648299574.db2.gz YGANPQKUJOMVDZ-UHFFFAOYSA-N 2 2 384.278 2.189 20 0 GEADLP C[C@@H](NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1)[C@H](C)[NH3+] ZINC000418720496 648308348 /nfs/dbraw/zinc/30/83/48/648308348.db2.gz JXLSTXSBVQKCDE-NWDGAFQWSA-N 2 2 384.278 2.186 20 0 GEADLP CC[C@H]([NH3+])CNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000418733809 648308801 /nfs/dbraw/zinc/30/88/01/648308801.db2.gz ROWKAIMXUPDPCW-LBPRGKRZSA-N 2 2 384.278 2.188 20 0 GEADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000420360372 648414025 /nfs/dbraw/zinc/41/40/25/648414025.db2.gz LESVQFOPTXRESO-CYBMUJFWSA-N 2 2 387.265 2.207 20 0 GEADLP CC(C)(C[NH2+][C@H]1CCC[C@H]1[NH3+])S(=O)(=O)c1ccc(Br)cc1 ZINC000422768761 648575309 /nfs/dbraw/zinc/57/53/09/648575309.db2.gz UWHNGSTWFIPSFY-KGLIPLIRSA-N 2 2 375.332 2.471 20 0 GEADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000423153504 648585181 /nfs/dbraw/zinc/58/51/81/648585181.db2.gz HLSUVNQWUUQHEU-VHDGCEQUSA-N 2 2 389.309 2.096 20 0 GEADLP COCC[NH+]1CCC([NH2+]CC(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000425368257 648674681 /nfs/dbraw/zinc/67/46/81/648674681.db2.gz JVSLWKJTCAXLCI-UHFFFAOYSA-N 2 2 384.318 2.396 20 0 GEADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccccc1I ZINC000430571099 648764268 /nfs/dbraw/zinc/76/42/68/648764268.db2.gz LEXAAZQQOSKVDT-AWEZNQCLSA-N 2 2 375.254 2.193 20 0 GEADLP C[C@H]1C[C@H]([NH2+]CC(=O)Nc2ccc(I)cc2)CC[N@@H+]1C ZINC000556606225 651247721 /nfs/dbraw/zinc/24/77/21/651247721.db2.gz UYFUNPMRTPFAPQ-SMDDNHRTSA-N 2 2 387.265 2.302 20 0 GEADLP C[C@H]1C[C@H]([NH2+]CC(=O)Nc2ccc(I)cc2)CC[N@H+]1C ZINC000556606225 651247722 /nfs/dbraw/zinc/24/77/22/651247722.db2.gz UYFUNPMRTPFAPQ-SMDDNHRTSA-N 2 2 387.265 2.302 20 0 GEADLP COCC[NH+]1CCC([NH2+]CC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000560885114 651470882 /nfs/dbraw/zinc/47/08/82/651470882.db2.gz UWISNRDDSDKZCN-UHFFFAOYSA-N 2 2 384.318 2.396 20 0 GEADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cn4cc(Br)ccc4n3)C2)CC1 ZINC000609337891 651616754 /nfs/dbraw/zinc/61/67/54/651616754.db2.gz BPLAZNREIHAJED-QGZVFWFLSA-N 2 2 392.345 2.309 20 0 GEADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cn4cc(Br)ccc4n3)C2)CC1 ZINC000609337891 651616759 /nfs/dbraw/zinc/61/67/59/651616759.db2.gz BPLAZNREIHAJED-QGZVFWFLSA-N 2 2 392.345 2.309 20 0 GEADLP CSC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000611621687 651732073 /nfs/dbraw/zinc/73/20/73/651732073.db2.gz LVOZBQQHGNWADT-OAHLLOKOSA-N 2 2 375.460 2.473 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000617767403 651971657 /nfs/dbraw/zinc/97/16/57/651971657.db2.gz STFKJSKSOMCLEE-UHFFFAOYSA-N 2 2 386.327 2.183 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000617767403 651971664 /nfs/dbraw/zinc/97/16/64/651971664.db2.gz STFKJSKSOMCLEE-UHFFFAOYSA-N 2 2 386.327 2.183 20 0 GEADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000623619132 652250770 /nfs/dbraw/zinc/25/07/70/652250770.db2.gz TYTRPKHHQHHJNI-INIZCTEOSA-N 2 2 391.313 2.427 20 0 GEADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000623619132 652250784 /nfs/dbraw/zinc/25/07/84/652250784.db2.gz TYTRPKHHQHHJNI-INIZCTEOSA-N 2 2 391.313 2.427 20 0 GEADLP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000579945137 652360488 /nfs/dbraw/zinc/36/04/88/652360488.db2.gz PEWQKNBMMNGHSS-LEWSCRJBSA-N 2 2 380.290 2.076 20 0 GEADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000627243367 652420148 /nfs/dbraw/zinc/42/01/48/652420148.db2.gz GVXRHYKDCQYYFM-GXTWGEPZSA-N 2 2 396.289 2.201 20 0 GEADLP C[C@@H]1C[N@@H+](CCCNC(=O)[C@H]([NH3+])c2ccccc2Br)C[C@H](C)O1 ZINC000662368021 652457480 /nfs/dbraw/zinc/45/74/80/652457480.db2.gz KANGEWMRGFLGMS-DVOMOZLQSA-N 2 2 384.318 2.064 20 0 GEADLP C[C@@H]1C[N@H+](CCCNC(=O)[C@H]([NH3+])c2ccccc2Br)C[C@H](C)O1 ZINC000662368021 652457483 /nfs/dbraw/zinc/45/74/83/652457483.db2.gz KANGEWMRGFLGMS-DVOMOZLQSA-N 2 2 384.318 2.064 20 0 GEADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])c2ccccc2Br)C[C@H](C)O1 ZINC000662364382 652457544 /nfs/dbraw/zinc/45/75/44/652457544.db2.gz HXUNQWOVQHUABD-ZENOOKHLSA-N 2 2 398.345 2.453 20 0 GEADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])c2ccccc2Br)C[C@H](C)O1 ZINC000662364382 652457546 /nfs/dbraw/zinc/45/75/46/652457546.db2.gz HXUNQWOVQHUABD-ZENOOKHLSA-N 2 2 398.345 2.453 20 0 GEADLP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]([NH3+])c2ccccc2Br)C[C@H](C)O1 ZINC000662368024 652457623 /nfs/dbraw/zinc/45/76/23/652457623.db2.gz KANGEWMRGFLGMS-ZENOOKHLSA-N 2 2 384.318 2.064 20 0 GEADLP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]([NH3+])c2ccccc2Br)C[C@H](C)O1 ZINC000662368024 652457625 /nfs/dbraw/zinc/45/76/25/652457625.db2.gz KANGEWMRGFLGMS-ZENOOKHLSA-N 2 2 384.318 2.064 20 0 GEADLP CC[NH+]1CCN(CCCNC(=O)[C@H]([NH2+]C)c2cccc(Cl)c2Cl)CC1 ZINC000662383819 652458424 /nfs/dbraw/zinc/45/84/24/652458424.db2.gz FLTNGIDGQLDBPM-QGZVFWFLSA-N 2 2 387.355 2.398 20 0 GEADLP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662810233 652475363 /nfs/dbraw/zinc/47/53/63/652475363.db2.gz OBZDZZFBRMZZGB-MRXNPFEDSA-N 2 2 375.822 2.356 20 0 GEADLP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662810233 652475369 /nfs/dbraw/zinc/47/53/69/652475369.db2.gz OBZDZZFBRMZZGB-MRXNPFEDSA-N 2 2 375.822 2.356 20 0 GEADLP C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc(Br)cn1 ZINC000664792478 652539537 /nfs/dbraw/zinc/53/95/37/652539537.db2.gz PHDNBZOZENQASX-ZDUSSCGKSA-N 2 2 386.338 2.088 20 0 GEADLP C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc(Br)cn1 ZINC000664792478 652539541 /nfs/dbraw/zinc/53/95/41/652539541.db2.gz PHDNBZOZENQASX-ZDUSSCGKSA-N 2 2 386.338 2.088 20 0 GEADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H]2CCCOc3c(Br)cccc32)n1 ZINC000665291976 652550214 /nfs/dbraw/zinc/55/02/14/652550214.db2.gz PQKSKYRPNBBLIX-ZDUSSCGKSA-N 2 2 379.258 2.407 20 0 GEADLP C[NH+]1CCN(c2ncc(C[NH2+]Cc3ccc(Br)cc3F)cn2)CC1 ZINC000761971500 652665755 /nfs/dbraw/zinc/66/57/55/652665755.db2.gz ZWAOJBQJWNCMMU-UHFFFAOYSA-N 2 2 394.292 2.420 20 0 GEADLP C[NH+](C)CCCNC(=S)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000765514697 652842380 /nfs/dbraw/zinc/84/23/80/652842380.db2.gz DOVROZQKFFTKRC-IRXDYDNUSA-N 2 2 384.977 2.128 20 0 GEADLP C[NH+](C)CCCNC(=S)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000765514697 652842381 /nfs/dbraw/zinc/84/23/81/652842381.db2.gz DOVROZQKFFTKRC-IRXDYDNUSA-N 2 2 384.977 2.128 20 0 GEADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000639765068 652952573 /nfs/dbraw/zinc/95/25/73/652952573.db2.gz IFLBQTVBWVGDLF-GUYCJALGSA-N 2 2 377.312 2.122 20 0 GEADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000639765068 652952578 /nfs/dbraw/zinc/95/25/78/652952578.db2.gz IFLBQTVBWVGDLF-GUYCJALGSA-N 2 2 377.312 2.122 20 0 GEADLP O[C@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000639863541 653086844 /nfs/dbraw/zinc/08/68/44/653086844.db2.gz MIEKJMZPKOHJEM-IRXDYDNUSA-N 2 2 389.323 2.264 20 0 GEADLP O[C@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000639863541 653086848 /nfs/dbraw/zinc/08/68/48/653086848.db2.gz MIEKJMZPKOHJEM-IRXDYDNUSA-N 2 2 389.323 2.264 20 0 GEADLP CC1CC[NH+]([C@@H](CNS(=O)(=O)CCn2cc[nH+]c2)c2cccs2)CC1 ZINC000641255713 653173137 /nfs/dbraw/zinc/17/31/37/653173137.db2.gz IXTGEXZQZKEAEI-INIZCTEOSA-N 2 2 382.555 2.337 20 0 GEADLP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2nc3ccccn3c2Br)CC1 ZINC000809606118 653284241 /nfs/dbraw/zinc/28/42/41/653284241.db2.gz MLACVSDIQKHIJH-CQSZACIVSA-N 2 2 380.334 2.212 20 0 GEADLP CC[NH+]1CCN(CCC[NH2+]Cc2nc3ccccn3c2Br)CC1 ZINC000809632465 653286486 /nfs/dbraw/zinc/28/64/86/653286486.db2.gz QRAXAQOYGCJNLQ-UHFFFAOYSA-N 2 2 380.334 2.214 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000836279783 653342497 /nfs/dbraw/zinc/34/24/97/653342497.db2.gz WGIMBEIYKWYVMS-MRXNPFEDSA-N 2 2 377.360 2.428 20 0 GEADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCc3ncc(Cl)s3)CC2)CC1 ZINC000876366623 653425391 /nfs/dbraw/zinc/42/53/91/653425391.db2.gz DOTZSDVUTMNPFZ-UHFFFAOYSA-N 2 2 385.965 2.498 20 0 GEADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCc3ncc(Cl)s3)CC2)CC1 ZINC000876366623 653425395 /nfs/dbraw/zinc/42/53/95/653425395.db2.gz DOTZSDVUTMNPFZ-UHFFFAOYSA-N 2 2 385.965 2.498 20 0 GEADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC000812761780 653442086 /nfs/dbraw/zinc/44/20/86/653442086.db2.gz OSHMZJQANZDHAT-KRWDZBQOSA-N 2 2 399.329 2.490 20 0 GEADLP Clc1ccc2sc(C[NH2+][C@H]3CCN(CC[NH+]4CCOCC4)C3)cc2n1 ZINC000877031035 653462030 /nfs/dbraw/zinc/46/20/30/653462030.db2.gz LRLBBAKTHLDSBB-AWEZNQCLSA-N 2 2 380.945 2.446 20 0 GEADLP CC(C)([NH3+])C[NH2+]Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000841031360 653705385 /nfs/dbraw/zinc/70/53/85/653705385.db2.gz RRODSQVWHPVVLO-UHFFFAOYSA-N 2 2 395.388 2.413 20 0 GEADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000863549432 653715441 /nfs/dbraw/zinc/71/54/41/653715441.db2.gz DBROFVKDOAUNLL-CVEARBPZSA-N 2 2 398.276 2.345 20 0 GEADLP CC(C)n1ncc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000865751100 653774001 /nfs/dbraw/zinc/77/40/01/653774001.db2.gz VERQHROPORIURF-CYBMUJFWSA-N 2 2 398.349 2.125 20 0 GEADLP CC(C)n1ncc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000865751100 653774003 /nfs/dbraw/zinc/77/40/03/653774003.db2.gz VERQHROPORIURF-CYBMUJFWSA-N 2 2 398.349 2.125 20 0 GEADLP COc1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1SC(F)(F)F ZINC000843345736 653785578 /nfs/dbraw/zinc/78/55/78/653785578.db2.gz BKXACYDFWBAACY-UHFFFAOYSA-N 2 2 377.432 2.171 20 0 GEADLP COc1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1SC(F)(F)F ZINC000843345736 653785581 /nfs/dbraw/zinc/78/55/81/653785581.db2.gz BKXACYDFWBAACY-UHFFFAOYSA-N 2 2 377.432 2.171 20 0 GEADLP CC(C)(C)NS(=O)(=O)C1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000883290994 653834205 /nfs/dbraw/zinc/83/42/05/653834205.db2.gz OYBFMXIZILPFJP-UHFFFAOYSA-N 2 2 385.496 2.243 20 0 GEADLP C[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)nc1 ZINC000883371561 653837724 /nfs/dbraw/zinc/83/77/24/653837724.db2.gz PHAFDKDIGPGCQH-WBVHZDCISA-N 2 2 397.361 2.291 20 0 GEADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000825343435 653926037 /nfs/dbraw/zinc/92/60/37/653926037.db2.gz MLKJDDLRZAWGCO-QGZVFWFLSA-N 2 2 399.329 2.490 20 0 GEADLP NC(=O)C[N@@H+]1CCCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000827430726 653991165 /nfs/dbraw/zinc/99/11/65/653991165.db2.gz QFKPDEDGIOAEHA-UHFFFAOYSA-N 2 2 381.249 2.134 20 0 GEADLP NC(=O)C[N@H+]1CCCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000827430726 653991169 /nfs/dbraw/zinc/99/11/69/653991169.db2.gz QFKPDEDGIOAEHA-UHFFFAOYSA-N 2 2 381.249 2.134 20 0 GEADLP C[C@@H]1[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)CC[N@@H+]1C ZINC000830138944 654101076 /nfs/dbraw/zinc/10/10/76/654101076.db2.gz KUHJUFDICPBOCL-UKRRQHHQSA-N 2 2 395.345 2.480 20 0 GEADLP C[C@@H]1[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)CC[N@H+]1C ZINC000830138944 654101080 /nfs/dbraw/zinc/10/10/80/654101080.db2.gz KUHJUFDICPBOCL-UKRRQHHQSA-N 2 2 395.345 2.480 20 0 GEADLP Cc1cc(Cl)ccc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562402 654256430 /nfs/dbraw/zinc/25/64/30/654256430.db2.gz LYGDIVBCJQZKHW-CALCHBBNSA-N 2 2 383.945 2.238 20 0 GEADLP Cc1cc(Cl)ccc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562402 654256434 /nfs/dbraw/zinc/25/64/34/654256434.db2.gz LYGDIVBCJQZKHW-CALCHBBNSA-N 2 2 383.945 2.238 20 0 GEADLP CC[NH+]1CCN(CC(C)(C)[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000832539626 654273305 /nfs/dbraw/zinc/27/33/05/654273305.db2.gz SXTFZYWZRWNDBZ-UHFFFAOYSA-N 2 2 387.977 2.119 20 0 GEADLP O[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)COc1cc(Cl)cc(Cl)c1 ZINC000872199556 654316542 /nfs/dbraw/zinc/31/65/42/654316542.db2.gz PYMMKDXBEWCKGX-UXLLHSPISA-N 2 2 375.296 2.186 20 0 GEADLP O[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)COc1cc(Cl)cc(Cl)c1 ZINC000872199556 654316545 /nfs/dbraw/zinc/31/65/45/654316545.db2.gz PYMMKDXBEWCKGX-UXLLHSPISA-N 2 2 375.296 2.186 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccc(Br)cc1F ZINC000853718315 654317711 /nfs/dbraw/zinc/31/77/11/654317711.db2.gz FAGKUTYFWGBWLC-UHFFFAOYSA-N 2 2 389.313 2.271 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccc(Br)cc1F ZINC000853718315 654317713 /nfs/dbraw/zinc/31/77/13/654317713.db2.gz FAGKUTYFWGBWLC-UHFFFAOYSA-N 2 2 389.313 2.271 20 0 GEADLP CN1CC[NH+](CC2(C)CC[NH+](Cc3ncc(Br)cc3O)CC2)CC1 ZINC000893564488 654408370 /nfs/dbraw/zinc/40/83/70/654408370.db2.gz QQTCLHDIGLGUBT-UHFFFAOYSA-N 2 2 397.361 2.399 20 0 GEADLP Cc1ncsc1CCN1CC[NH2+]CC[N@H+](CCc2scnc2C)CC1 ZINC000923395350 654448991 /nfs/dbraw/zinc/44/89/91/654448991.db2.gz MJRWWMXZJQOGPW-UHFFFAOYSA-N 2 2 379.599 2.209 20 0 GEADLP Cc1ncsc1CCN1CC[NH2+]CC[N@@H+](CCc2scnc2C)CC1 ZINC000923395350 654448999 /nfs/dbraw/zinc/44/89/99/654448999.db2.gz MJRWWMXZJQOGPW-UHFFFAOYSA-N 2 2 379.599 2.209 20 0 GEADLP C[N@H+](Cc1ncc(Br)cc1O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894460299 654477811 /nfs/dbraw/zinc/47/78/11/654477811.db2.gz VOXSKBAPWUPAHZ-HNNXBMFYSA-N 2 2 383.334 2.150 20 0 GEADLP C[N@@H+](Cc1ncc(Br)cc1O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894460299 654477819 /nfs/dbraw/zinc/47/78/19/654477819.db2.gz VOXSKBAPWUPAHZ-HNNXBMFYSA-N 2 2 383.334 2.150 20 0 GEADLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cccc(Br)n1 ZINC000926868711 654583993 /nfs/dbraw/zinc/58/39/93/654583993.db2.gz ZCMVCFJUGNCQQV-JKSUJKDBSA-N 2 2 397.361 2.291 20 0 GEADLP O[C@H](C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1(O)CCC1 ZINC000930446352 654710590 /nfs/dbraw/zinc/71/05/90/654710590.db2.gz OJJCRNUGBHCYTG-CQSZACIVSA-N 2 2 384.274 2.017 20 0 GEADLP O[C@H](C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1(O)CCC1 ZINC000930446352 654710592 /nfs/dbraw/zinc/71/05/92/654710592.db2.gz OJJCRNUGBHCYTG-CQSZACIVSA-N 2 2 384.274 2.017 20 0 GEADLP O[C@@H](C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1(O)CCC1 ZINC000930446351 654710643 /nfs/dbraw/zinc/71/06/43/654710643.db2.gz OJJCRNUGBHCYTG-AWEZNQCLSA-N 2 2 384.274 2.017 20 0 GEADLP O[C@@H](C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1(O)CCC1 ZINC000930446351 654710645 /nfs/dbraw/zinc/71/06/45/654710645.db2.gz OJJCRNUGBHCYTG-AWEZNQCLSA-N 2 2 384.274 2.017 20 0 GEADLP S=C(NCCC[NH+]1CCOCC1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000916119062 654889305 /nfs/dbraw/zinc/88/93/05/654889305.db2.gz JEUNAIHLPLIYLO-MRXNPFEDSA-N 2 2 382.599 2.071 20 0 GEADLP CCOC(=O)C1CC[NH+](C2CCN(c3nc(N(C)CC)cc[nH+]3)CC2)CC1 ZINC001164618183 719020685 /nfs/dbraw/zinc/02/06/85/719020685.db2.gz QOOUFLOJZHCIBL-UHFFFAOYSA-N 2 2 375.517 2.177 20 0 GEADLP CCCN(CCC)c1cc(N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)nc[nH+]1 ZINC001164687607 719730671 /nfs/dbraw/zinc/73/06/71/719730671.db2.gz ZOYUBBCXVLBFIA-UHFFFAOYSA-N 2 2 388.560 2.284 20 0 GEADLP CCCN(CCC)c1cc(N2CCC3(CCC[N@H+]3CC(=O)NC)CC2)nc[nH+]1 ZINC001164687607 719730685 /nfs/dbraw/zinc/73/06/85/719730685.db2.gz ZOYUBBCXVLBFIA-UHFFFAOYSA-N 2 2 388.560 2.284 20 0 GEADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+]c(C)cc4ccccc43)C2)C1 ZINC001164722186 720267583 /nfs/dbraw/zinc/26/75/83/720267583.db2.gz OODLLJZGKFZMLV-JOCHJYFZSA-N 2 2 382.508 2.208 20 0 GEADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3[nH+]c(C)cc4ccccc43)C2)C1 ZINC001164722186 720267592 /nfs/dbraw/zinc/26/75/92/720267592.db2.gz OODLLJZGKFZMLV-JOCHJYFZSA-N 2 2 382.508 2.208 20 0 GEADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164830805 720334086 /nfs/dbraw/zinc/33/40/86/720334086.db2.gz PZQHEJLHFNMKNP-RBUKOAKNSA-N 2 2 399.539 2.260 20 0 GEADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(Cl)c(N)[nH+]2)CC1 ZINC001164830288 720353116 /nfs/dbraw/zinc/35/31/16/720353116.db2.gz VTQFWGXHAKHFMQ-CVEARBPZSA-N 2 2 377.920 2.229 20 0 GEADLP C[NH+]1CCN(c2cccc(N3Cc4cncn4C[C@H](COCC4CC4)C3)[nH+]2)CC1 ZINC001164756146 720978143 /nfs/dbraw/zinc/97/81/43/720978143.db2.gz FVBXHHQJQQIGGZ-LJQANCHMSA-N 2 2 396.539 2.093 20 0 GEADLP c1cncc(CO[C@@H]2C[C@@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164872262 721138131 /nfs/dbraw/zinc/13/81/31/721138131.db2.gz HFNAFRIWVPOBPG-WOJBJXKFSA-N 2 2 394.523 2.342 20 0 GEADLP c1cncc(CO[C@@H]2C[C@@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[N@H+]3C2)c1 ZINC001164872262 721138136 /nfs/dbraw/zinc/13/81/36/721138136.db2.gz HFNAFRIWVPOBPG-WOJBJXKFSA-N 2 2 394.523 2.342 20 0 GEADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164773862 721177035 /nfs/dbraw/zinc/17/70/35/721177035.db2.gz XMYCNOZKEVMICZ-IKLBINMZSA-N 2 2 395.507 2.268 20 0 GEADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164773862 721177046 /nfs/dbraw/zinc/17/70/46/721177046.db2.gz XMYCNOZKEVMICZ-IKLBINMZSA-N 2 2 395.507 2.268 20 0 GEADLP Cc1c[nH+]c(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nc1NCC1CC1 ZINC001165007284 721728924 /nfs/dbraw/zinc/72/89/24/721728924.db2.gz AXBQSTPOSURSGN-UHFFFAOYSA-N 2 2 386.544 2.130 20 0 GEADLP C[NH+]1CCN(c2cccc(N3CCC4(CC3)C(=O)Nc3c4cccc3F)[nH+]2)CC1 ZINC001165021859 721833169 /nfs/dbraw/zinc/83/31/69/721833169.db2.gz MESIBQUWXVEZEN-UHFFFAOYSA-N 2 2 395.482 2.463 20 0 GEADLP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4nc(NC5CC5)cc[nH+]4)CC[C@H]3C2)c1 ZINC001164976316 722099173 /nfs/dbraw/zinc/09/91/73/722099173.db2.gz COBVKBUECOULTJ-HKUYNNGSSA-N 2 2 380.496 2.173 20 0 GEADLP c1cncc(C[N@H+]2CCO[C@H]3CN(c4nc(NC5CC5)cc[nH+]4)CC[C@H]3C2)c1 ZINC001164976316 722099175 /nfs/dbraw/zinc/09/91/75/722099175.db2.gz COBVKBUECOULTJ-HKUYNNGSSA-N 2 2 380.496 2.173 20 0 GEADLP O=C(CC[NH2+]Cc1ccc(Br)o1)N1CCN(c2cccc[nH+]2)CC1 ZINC000178901417 532216615 /nfs/dbraw/zinc/21/66/15/532216615.db2.gz WVLDEMYDMSJSTO-UHFFFAOYSA-N 2 2 393.285 2.266 20 0 GEADLP Cc1c(Br)cccc1CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000188937646 532350427 /nfs/dbraw/zinc/35/04/27/532350427.db2.gz ZFVAONSBLRBLOV-UHFFFAOYSA-N 2 2 382.346 2.442 20 0 GEADLP Fc1cccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1Br ZINC000648452160 532398217 /nfs/dbraw/zinc/39/82/17/532398217.db2.gz JKKFQDKLAROWTJ-OAHLLOKOSA-N 2 2 386.309 2.084 20 0 GEADLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280251850 532411190 /nfs/dbraw/zinc/41/11/90/532411190.db2.gz WRKLNUUOLNIDGU-LLVKDONJSA-N 2 2 398.356 2.260 20 0 GEADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280251850 532411196 /nfs/dbraw/zinc/41/11/96/532411196.db2.gz WRKLNUUOLNIDGU-LLVKDONJSA-N 2 2 398.356 2.260 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CCC[N@@H+](C)C3)[nH+]c12 ZINC000680387538 532412897 /nfs/dbraw/zinc/41/28/97/532412897.db2.gz WQPICMHGGKGJME-AWEZNQCLSA-N 2 2 394.317 2.341 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CCC[N@H+](C)C3)[nH+]c12 ZINC000680387538 532412906 /nfs/dbraw/zinc/41/29/06/532412906.db2.gz WQPICMHGGKGJME-AWEZNQCLSA-N 2 2 394.317 2.341 20 0 GEADLP O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000625373466 532421936 /nfs/dbraw/zinc/42/19/36/532421936.db2.gz DYLUSRWXXHPKPF-HNNXBMFYSA-N 2 2 390.285 2.248 20 0 GEADLP CC[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1cc(F)cc(Br)c1 ZINC000561203419 532432375 /nfs/dbraw/zinc/43/23/75/532432375.db2.gz YJMAKEWAGWXRSP-CABCVRRESA-N 2 2 387.297 2.324 20 0 GEADLP CC[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1cc(F)cc(Br)c1 ZINC000561203419 532432382 /nfs/dbraw/zinc/43/23/82/532432382.db2.gz YJMAKEWAGWXRSP-CABCVRRESA-N 2 2 387.297 2.324 20 0 GEADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000428241641 532447337 /nfs/dbraw/zinc/44/73/37/532447337.db2.gz DUCRVSGUGBNLTI-CYBMUJFWSA-N 2 2 375.270 2.479 20 0 GEADLP CC[N@H+](C)C[C@@H](O)CN(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000519177300 532458107 /nfs/dbraw/zinc/45/81/07/532458107.db2.gz ZXAGLWFVYQSYTE-CQSZACIVSA-N 2 2 385.306 2.053 20 0 GEADLP CC[N@@H+](C)C[C@@H](O)CN(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000519177300 532458111 /nfs/dbraw/zinc/45/81/11/532458111.db2.gz ZXAGLWFVYQSYTE-CQSZACIVSA-N 2 2 385.306 2.053 20 0 GEADLP CN(C(=O)c1nscc1Br)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000651315254 532465024 /nfs/dbraw/zinc/46/50/24/532465024.db2.gz SFXNADVVXFAGOJ-GFCCVEGCSA-N 2 2 387.347 2.146 20 0 GEADLP CN(C(=O)c1nscc1Br)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000651315254 532465030 /nfs/dbraw/zinc/46/50/30/532465030.db2.gz SFXNADVVXFAGOJ-GFCCVEGCSA-N 2 2 387.347 2.146 20 0 GEADLP C[N@H+](CC(=O)NC[C@H]1CSCC[NH+]1Cc1ccccc1)[C@@H]1CCSC1 ZINC000429049886 532470196 /nfs/dbraw/zinc/47/01/96/532470196.db2.gz XFCLLEFPJAGSND-MSOLQXFVSA-N 2 2 379.595 2.158 20 0 GEADLP C[N@@H+](CC(=O)NC[C@H]1CSCC[NH+]1Cc1ccccc1)[C@@H]1CCSC1 ZINC000429049886 532470203 /nfs/dbraw/zinc/47/02/03/532470203.db2.gz XFCLLEFPJAGSND-MSOLQXFVSA-N 2 2 379.595 2.158 20 0 GEADLP C[NH+](CC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)[C@@H]1CCSC1 ZINC000429049886 532470210 /nfs/dbraw/zinc/47/02/10/532470210.db2.gz XFCLLEFPJAGSND-MSOLQXFVSA-N 2 2 379.595 2.158 20 0 GEADLP C[NH+](CC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)[C@@H]1CCSC1 ZINC000429049886 532470217 /nfs/dbraw/zinc/47/02/17/532470217.db2.gz XFCLLEFPJAGSND-MSOLQXFVSA-N 2 2 379.595 2.158 20 0 GEADLP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](O)c3cccc(Br)c3)C2)CC1 ZINC000245910813 532525922 /nfs/dbraw/zinc/52/59/22/532525922.db2.gz JHWOPNXRZAWHJB-QZTJIDSGSA-N 2 2 382.346 2.194 20 0 GEADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](O)c3cccc(Br)c3)C2)CC1 ZINC000245910813 532525928 /nfs/dbraw/zinc/52/59/28/532525928.db2.gz JHWOPNXRZAWHJB-QZTJIDSGSA-N 2 2 382.346 2.194 20 0 GEADLP CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653062583 532529043 /nfs/dbraw/zinc/52/90/43/532529043.db2.gz DGBVIOPGTJRBBW-CYBMUJFWSA-N 2 2 375.300 2.059 20 0 GEADLP CCOc1cc(Br)c(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1OCC ZINC000653076949 532529473 /nfs/dbraw/zinc/52/94/73/532529473.db2.gz JSALBZGNRGUVRE-GFCCVEGCSA-N 2 2 388.306 2.464 20 0 GEADLP CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000296599082 532531052 /nfs/dbraw/zinc/53/10/52/532531052.db2.gz YFDLRXCUNZPNAO-IUODEOHRSA-N 2 2 384.318 2.146 20 0 GEADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)nc12 ZINC000564825589 532532925 /nfs/dbraw/zinc/53/29/25/532532925.db2.gz USOSFIZBYAQQMO-SJORKVTESA-N 2 2 393.329 2.304 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)ccc1F ZINC000284034431 532574107 /nfs/dbraw/zinc/57/41/07/532574107.db2.gz WRKBNOAHVUJXKC-UHFFFAOYSA-N 2 2 377.913 2.126 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)ccc1F ZINC000284034431 532574114 /nfs/dbraw/zinc/57/41/14/532574114.db2.gz WRKBNOAHVUJXKC-UHFFFAOYSA-N 2 2 377.913 2.126 20 0 GEADLP Ic1ccc(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000596651230 532602126 /nfs/dbraw/zinc/60/21/26/532602126.db2.gz CNJDPMXQHGOSRL-HZPDHXFCSA-N 2 2 386.277 2.190 20 0 GEADLP O=C(NCC[N@H+]1CC=CCC1)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000474138481 532608227 /nfs/dbraw/zinc/60/82/27/532608227.db2.gz NEVLMCYHUQWRRG-UHFFFAOYSA-N 2 2 378.274 2.158 20 0 GEADLP O=C(NCC[N@@H+]1CC=CCC1)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000474138481 532608232 /nfs/dbraw/zinc/60/82/32/532608232.db2.gz NEVLMCYHUQWRRG-UHFFFAOYSA-N 2 2 378.274 2.158 20 0 GEADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cscc1Br ZINC000632548407 532623999 /nfs/dbraw/zinc/62/39/99/532623999.db2.gz MFOQUNNFSYQSAN-NSHDSACASA-N 2 2 398.392 2.061 20 0 GEADLP C[N@H+]([C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)C1CC[NH+](CCO)CC1 ZINC000475052108 532636934 /nfs/dbraw/zinc/63/69/34/532636934.db2.gz ITKYPSPOHCJNRN-KRWDZBQOSA-N 2 2 386.323 2.487 20 0 GEADLP C[N@@H+]([C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)C1CC[NH+](CCO)CC1 ZINC000475052108 532636940 /nfs/dbraw/zinc/63/69/40/532636940.db2.gz ITKYPSPOHCJNRN-KRWDZBQOSA-N 2 2 386.323 2.487 20 0 GEADLP COC(=O)[C@]1([NH2+]CCn2cc[nH+]c2)CCc2cc(Br)ccc2C1 ZINC000599593659 532667508 /nfs/dbraw/zinc/66/75/08/532667508.db2.gz GUNGKNARKCSZCW-KRWDZBQOSA-N 2 2 378.270 2.336 20 0 GEADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000438880860 532677674 /nfs/dbraw/zinc/67/76/74/532677674.db2.gz AMOIZVATCHJBQL-AWEZNQCLSA-N 2 2 383.857 2.228 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccc(F)cc1Br ZINC000663782657 532687360 /nfs/dbraw/zinc/68/73/60/532687360.db2.gz AZSLEKNMYBURAG-UHFFFAOYSA-N 2 2 389.313 2.271 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccc(F)cc1Br ZINC000663782657 532687368 /nfs/dbraw/zinc/68/73/68/532687368.db2.gz AZSLEKNMYBURAG-UHFFFAOYSA-N 2 2 389.313 2.271 20 0 GEADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000579712209 532742707 /nfs/dbraw/zinc/74/27/07/532742707.db2.gz KMRXPPYAZYPFLA-KBMXLJTQSA-N 2 2 380.330 2.337 20 0 GEADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000579712209 532742716 /nfs/dbraw/zinc/74/27/16/532742716.db2.gz KMRXPPYAZYPFLA-KBMXLJTQSA-N 2 2 380.330 2.337 20 0 GEADLP C[C@](O)(CNc1cc[nH+]c2cc(Br)ccc12)C[NH+]1CCOCC1 ZINC000301767999 532759007 /nfs/dbraw/zinc/75/90/07/532759007.db2.gz OFQDOUIUPUBCFP-KRWDZBQOSA-N 2 2 380.286 2.492 20 0 GEADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ncc(I)s2)CCCO1 ZINC000511765008 532775290 /nfs/dbraw/zinc/77/52/90/532775290.db2.gz KZBXXOQURJIEGK-LLVKDONJSA-N 2 2 395.310 2.338 20 0 GEADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ncc(I)s2)CCCO1 ZINC000511765008 532775293 /nfs/dbraw/zinc/77/52/93/532775293.db2.gz KZBXXOQURJIEGK-LLVKDONJSA-N 2 2 395.310 2.338 20 0 GEADLP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000268818345 532772338 /nfs/dbraw/zinc/77/23/38/532772338.db2.gz QUNQMDWQUWIKOP-CYBMUJFWSA-N 2 2 376.469 2.444 20 0 GEADLP CCOc1cc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc(Br)c1O ZINC000459569250 532796091 /nfs/dbraw/zinc/79/60/91/532796091.db2.gz MCCUTEHCVNUBTD-CQSZACIVSA-N 2 2 387.318 2.490 20 0 GEADLP CCOc1cc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc(Br)c1O ZINC000459569250 532796096 /nfs/dbraw/zinc/79/60/96/532796096.db2.gz MCCUTEHCVNUBTD-CQSZACIVSA-N 2 2 387.318 2.490 20 0 GEADLP CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000459668799 532797432 /nfs/dbraw/zinc/79/74/32/532797432.db2.gz UEBNAIRKACNZOQ-LBPRGKRZSA-N 2 2 395.301 2.028 20 0 GEADLP COCCN1CC[C@@H]([NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000273410879 532823184 /nfs/dbraw/zinc/82/31/84/532823184.db2.gz HUSFEWPTHYOLKY-OAHLLOKOSA-N 2 2 381.318 2.258 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)NCCCn3cc[nH+]c3)[nH+]c12 ZINC000273450361 532824730 /nfs/dbraw/zinc/82/47/30/532824730.db2.gz FTEDJDHAQDPNFW-UHFFFAOYSA-N 2 2 391.273 2.491 20 0 GEADLP C[N@@H+](Cc1cc(Br)ccc1OCc1ccccn1)C[C@H](O)C[NH3+] ZINC000415063801 532837367 /nfs/dbraw/zinc/83/73/67/532837367.db2.gz AZNSLDCKQVJINB-MRXNPFEDSA-N 2 2 380.286 2.175 20 0 GEADLP C[N@H+](Cc1cc(Br)ccc1OCc1ccccn1)C[C@H](O)C[NH3+] ZINC000415063801 532837370 /nfs/dbraw/zinc/83/73/70/532837370.db2.gz AZNSLDCKQVJINB-MRXNPFEDSA-N 2 2 380.286 2.175 20 0 GEADLP O=C1N[C@@H]2C[N@H+](Cc3ccc(Br)s3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415138755 532838514 /nfs/dbraw/zinc/83/85/14/532838514.db2.gz KNRIPLHMZUDBJP-ZIAGYGMSSA-N 2 2 399.358 2.231 20 0 GEADLP O=C1N[C@@H]2C[N@@H+](Cc3ccc(Br)s3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415138755 532838516 /nfs/dbraw/zinc/83/85/16/532838516.db2.gz KNRIPLHMZUDBJP-ZIAGYGMSSA-N 2 2 399.358 2.231 20 0 GEADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cn4ccc(Br)cc4n3)C2)CC1 ZINC000290565336 532884509 /nfs/dbraw/zinc/88/45/09/532884509.db2.gz XYNDRCXVYKAKCQ-KRWDZBQOSA-N 2 2 392.345 2.309 20 0 GEADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cn4ccc(Br)cc4n3)C2)CC1 ZINC000290565336 532884510 /nfs/dbraw/zinc/88/45/10/532884510.db2.gz XYNDRCXVYKAKCQ-KRWDZBQOSA-N 2 2 392.345 2.309 20 0 GEADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](CO)c2ccc(Br)cc2)CC1 ZINC000291142610 532896778 /nfs/dbraw/zinc/89/67/78/532896778.db2.gz GGAJLFLWYZHADP-QGZVFWFLSA-N 2 2 399.329 2.490 20 0 GEADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366497597 532918086 /nfs/dbraw/zinc/91/80/86/532918086.db2.gz NIMLNZGOGHUZSQ-SFHVURJKSA-N 2 2 380.330 2.435 20 0 GEADLP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366497597 532918088 /nfs/dbraw/zinc/91/80/88/532918088.db2.gz NIMLNZGOGHUZSQ-SFHVURJKSA-N 2 2 380.330 2.435 20 0 GEADLP CN(Cc1ccccc1Br)C(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366497597 532918089 /nfs/dbraw/zinc/91/80/89/532918089.db2.gz NIMLNZGOGHUZSQ-SFHVURJKSA-N 2 2 380.330 2.435 20 0 GEADLP CN(Cc1ccccc1Br)C(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366497597 532918090 /nfs/dbraw/zinc/91/80/90/532918090.db2.gz NIMLNZGOGHUZSQ-SFHVURJKSA-N 2 2 380.330 2.435 20 0 GEADLP O=S1(=O)CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CSCCc4ccccc43)CC2)C1 ZINC000368040809 532929776 /nfs/dbraw/zinc/92/97/76/532929776.db2.gz SYJRYBOUCANZMJ-PKOBYXMFSA-N 2 2 380.579 2.258 20 0 GEADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@]2(N3CCOCC3)CCSC2)CC1 ZINC000371675807 532949178 /nfs/dbraw/zinc/94/91/78/532949178.db2.gz LZILSWJEICNVQD-MRXNPFEDSA-N 2 2 381.508 2.201 20 0 GEADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@]2(N3CCOCC3)CCSC2)CC1 ZINC000371675806 532949226 /nfs/dbraw/zinc/94/92/26/532949226.db2.gz LZILSWJEICNVQD-INIZCTEOSA-N 2 2 381.508 2.201 20 0 GEADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000736705548 598985668 /nfs/dbraw/zinc/98/56/68/598985668.db2.gz LCUVLVSOZGYMBA-MRXNPFEDSA-N 2 2 397.483 2.350 20 0 GEADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCOc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000736705548 598985669 /nfs/dbraw/zinc/98/56/69/598985669.db2.gz LCUVLVSOZGYMBA-MRXNPFEDSA-N 2 2 397.483 2.350 20 0 GEADLP COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000737030811 598987109 /nfs/dbraw/zinc/98/71/09/598987109.db2.gz AHQOONQINVJDFL-QGZVFWFLSA-N 2 2 386.500 2.204 20 0 GEADLP COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000737030811 598987110 /nfs/dbraw/zinc/98/71/10/598987110.db2.gz AHQOONQINVJDFL-QGZVFWFLSA-N 2 2 386.500 2.204 20 0 GEADLP Cc1cccc2c(NCC(C)(C)[NH+]3C[C@H](C)O[C@@H](C)C3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737410238 599265557 /nfs/dbraw/zinc/26/55/57/599265557.db2.gz QOACXQZKEBPOQO-GJZGRUSLSA-N 2 2 395.511 2.445 20 0 GEADLP CC[C@@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)CC[N@@H+]1C[C@H](C)O ZINC000820995798 599534565 /nfs/dbraw/zinc/53/45/65/599534565.db2.gz YIAPNIADUGFWLX-LSDHHAIUSA-N 2 2 381.484 2.005 20 0 GEADLP CC[C@@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)CC[N@H+]1C[C@H](C)O ZINC000820995798 599534568 /nfs/dbraw/zinc/53/45/68/599534568.db2.gz YIAPNIADUGFWLX-LSDHHAIUSA-N 2 2 381.484 2.005 20 0 GEADLP Cc1cccc2c(NC3CC[NH+](C[C@@H]4CCOC4)CC3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822337411 599564974 /nfs/dbraw/zinc/56/49/74/599564974.db2.gz XXHJMVGNNZEARZ-HNNXBMFYSA-N 2 2 393.495 2.058 20 0 GEADLP C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000824046773 607476069 /nfs/dbraw/zinc/47/60/69/607476069.db2.gz UZMIDWFJWOIMPX-CLCXKQKWSA-N 2 2 395.511 2.142 20 0 GEADLP C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000824046773 607476070 /nfs/dbraw/zinc/47/60/70/607476070.db2.gz UZMIDWFJWOIMPX-CLCXKQKWSA-N 2 2 395.511 2.142 20 0 GEADLP C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000824046773 607476072 /nfs/dbraw/zinc/47/60/72/607476072.db2.gz UZMIDWFJWOIMPX-CLCXKQKWSA-N 2 2 395.511 2.142 20 0 GEADLP C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000824046773 607476074 /nfs/dbraw/zinc/47/60/74/607476074.db2.gz UZMIDWFJWOIMPX-CLCXKQKWSA-N 2 2 395.511 2.142 20 0 GEADLP O=C(CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407295 607478693 /nfs/dbraw/zinc/47/86/93/607478693.db2.gz HUVLQIZBMBYHPX-APWZRJJASA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407295 607478694 /nfs/dbraw/zinc/47/86/94/607478694.db2.gz HUVLQIZBMBYHPX-APWZRJJASA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407295 607478695 /nfs/dbraw/zinc/47/86/95/607478695.db2.gz HUVLQIZBMBYHPX-APWZRJJASA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407295 607478696 /nfs/dbraw/zinc/47/86/96/607478696.db2.gz HUVLQIZBMBYHPX-APWZRJJASA-N 2 2 395.511 2.144 20 0 GEADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc(-c4nn[nH]n4)cc3F)[nH+]c2)C1 ZINC000821583149 607496528 /nfs/dbraw/zinc/49/65/28/607496528.db2.gz KHIYKQLGICSQCW-MRXNPFEDSA-N 2 2 382.447 2.153 20 0 GEADLP CN(CC(C)(C)C[NH+]1CCOCC1)c1c(-c2nn[nH]n2)c[nH+]c2ccccc21 ZINC000825897461 607735019 /nfs/dbraw/zinc/73/50/19/607735019.db2.gz GBFBEQLXDXTOLC-UHFFFAOYSA-N 2 2 381.484 2.210 20 0 GEADLP Cc1ccc(-c2nn[nH]n2)c(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000826273661 608295456 /nfs/dbraw/zinc/29/54/56/608295456.db2.gz OMABTRQQBFFXDG-UHFFFAOYSA-N 2 2 398.559 2.203 20 0 GEADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C1 ZINC000825391182 608313827 /nfs/dbraw/zinc/31/38/27/608313827.db2.gz WEJBCHNJKDFBRL-MRXNPFEDSA-N 2 2 380.500 2.134 20 0 GEADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C1 ZINC000825391182 608313829 /nfs/dbraw/zinc/31/38/29/608313829.db2.gz WEJBCHNJKDFBRL-MRXNPFEDSA-N 2 2 380.500 2.134 20 0 GEADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C1 ZINC000825391182 608313831 /nfs/dbraw/zinc/31/38/31/608313831.db2.gz WEJBCHNJKDFBRL-MRXNPFEDSA-N 2 2 380.500 2.134 20 0 GEADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C1 ZINC000825391182 608313832 /nfs/dbraw/zinc/31/38/32/608313832.db2.gz WEJBCHNJKDFBRL-MRXNPFEDSA-N 2 2 380.500 2.134 20 0 GEADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824548343 609152627 /nfs/dbraw/zinc/15/26/27/609152627.db2.gz WISKAESUEFDNIJ-FASAQXTFSA-N 2 2 388.491 2.424 20 0 GEADLP CCC[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825326369 609335386 /nfs/dbraw/zinc/33/53/86/609335386.db2.gz CDBWSPDMNGONFM-UHFFFAOYSA-N 2 2 380.500 2.231 20 0 GEADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000462390792 650477615 /nfs/dbraw/zinc/47/76/15/650477615.db2.gz HBGDDUIGDXKJPA-KDOFPFPSSA-N 2 2 380.330 2.481 20 0 GEADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000462390792 650477620 /nfs/dbraw/zinc/47/76/20/650477620.db2.gz HBGDDUIGDXKJPA-KDOFPFPSSA-N 2 2 380.330 2.481 20 0 GEADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462390794 650477699 /nfs/dbraw/zinc/47/76/99/650477699.db2.gz HBGDDUIGDXKJPA-RDTXWAMCSA-N 2 2 380.330 2.481 20 0 GEADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462390794 650477701 /nfs/dbraw/zinc/47/77/01/650477701.db2.gz HBGDDUIGDXKJPA-RDTXWAMCSA-N 2 2 380.330 2.481 20 0 GEADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCc2cccc(Br)c2)CC1 ZINC000463412746 650495209 /nfs/dbraw/zinc/49/52/09/650495209.db2.gz JEBIVQKDRWKKDQ-HNNXBMFYSA-N 2 2 382.346 2.476 20 0 GEADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCc2cccc(Br)c2)CC1 ZINC000463412746 650495211 /nfs/dbraw/zinc/49/52/11/650495211.db2.gz JEBIVQKDRWKKDQ-HNNXBMFYSA-N 2 2 382.346 2.476 20 0 GEADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000484939526 650691392 /nfs/dbraw/zinc/69/13/92/650691392.db2.gz SBCGRRJKMXDTQW-TUAOUCFPSA-N 2 2 387.265 2.287 20 0 GEADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000484939526 650691394 /nfs/dbraw/zinc/69/13/94/650691394.db2.gz SBCGRRJKMXDTQW-TUAOUCFPSA-N 2 2 387.265 2.287 20 0 GEADLP CS[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C[C@@H]1[NH+](C)C ZINC000534826466 650781011 /nfs/dbraw/zinc/78/10/11/650781011.db2.gz QATCUFIGRIZYET-KSZLIROESA-N 2 2 379.595 2.281 20 0 GEADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261824460 645603976 /nfs/dbraw/zinc/60/39/76/645603976.db2.gz YFZZCMXBRJJXON-ABAIWWIYSA-N 2 2 387.265 2.289 20 0 GEADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261824460 645603979 /nfs/dbraw/zinc/60/39/79/645603979.db2.gz YFZZCMXBRJJXON-ABAIWWIYSA-N 2 2 387.265 2.289 20 0 GEADLP CC(C)[C@@H](C[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O)N1CC[NH+](C)CC1 ZINC000273363423 646312818 /nfs/dbraw/zinc/31/28/18/646312818.db2.gz BGXUSWVXASCARC-QGZVFWFLSA-N 2 2 387.977 2.105 20 0 GEADLP O[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)COc1c(Cl)cccc1Cl ZINC000325857361 647303950 /nfs/dbraw/zinc/30/39/50/647303950.db2.gz WYDPWRHPAMTZEJ-MCIONIFRSA-N 2 2 375.296 2.186 20 0 GEADLP O[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)COc1c(Cl)cccc1Cl ZINC000325857361 647303955 /nfs/dbraw/zinc/30/39/55/647303955.db2.gz WYDPWRHPAMTZEJ-MCIONIFRSA-N 2 2 375.296 2.186 20 0 GEADLP COc1ccc(Br)c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000362709215 647571890 /nfs/dbraw/zinc/57/18/90/647571890.db2.gz DBCWDMPCSJNJTG-ZDUSSCGKSA-N 2 2 396.329 2.356 20 0 GEADLP COc1ccc(Br)c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000362709215 647571901 /nfs/dbraw/zinc/57/19/01/647571901.db2.gz DBCWDMPCSJNJTG-ZDUSSCGKSA-N 2 2 396.329 2.356 20 0 GEADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000364724010 647639197 /nfs/dbraw/zinc/63/91/97/647639197.db2.gz PKVPUJNHAWTNDV-UHFFFAOYSA-N 2 2 375.332 2.170 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H](O)c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000367051892 647716496 /nfs/dbraw/zinc/71/64/96/647716496.db2.gz FQRRWOCJSZCTTF-WBVHZDCISA-N 2 2 386.323 2.312 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H](O)c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000367051892 647716502 /nfs/dbraw/zinc/71/65/02/647716502.db2.gz FQRRWOCJSZCTTF-WBVHZDCISA-N 2 2 386.323 2.312 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)NC[C@@H]([NH3+])C(C)C)[nH+]c12 ZINC000418020276 648271299 /nfs/dbraw/zinc/27/12/99/648271299.db2.gz MZQOVVJMRPJIFR-CQSZACIVSA-N 2 2 382.306 2.230 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@H]([C@@H](C)[NH3+])C3)[nH+]c12 ZINC000418020865 648271312 /nfs/dbraw/zinc/27/13/12/648271312.db2.gz OHSBYDVLVPOBNW-OLZOCXBDSA-N 2 2 394.317 2.326 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)NC(C)(C)CC[NH3+])[nH+]c12 ZINC000422621912 648563156 /nfs/dbraw/zinc/56/31/56/648563156.db2.gz RHIRALXRTNOJOI-UHFFFAOYSA-N 2 2 382.306 2.374 20 0 GEADLP FC(F)(F)c1cnc(OCC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000422925896 648577339 /nfs/dbraw/zinc/57/73/39/648577339.db2.gz VUHSHBNYAYOKCU-KBPBESRZSA-N 2 2 379.810 2.489 20 0 GEADLP COc1cc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc(Br)c1OC ZINC000422946863 648578357 /nfs/dbraw/zinc/57/83/57/648578357.db2.gz PMWWKQNXLLXKFI-JKSUJKDBSA-N 2 2 385.302 2.323 20 0 GEADLP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422957000 648578862 /nfs/dbraw/zinc/57/88/62/648578862.db2.gz RWLWWCFTXWOFJJ-AEFFLSMTSA-N 2 2 396.329 2.443 20 0 GEADLP CC[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)[C@@H]1CCC[NH2+]1 ZINC000423107053 648580342 /nfs/dbraw/zinc/58/03/42/648580342.db2.gz PEYKTFJIOWFQGJ-OLZOCXBDSA-N 2 2 380.341 2.392 20 0 GEADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000423112370 648581604 /nfs/dbraw/zinc/58/16/04/648581604.db2.gz XHRUTITUNGCPQG-KGLIPLIRSA-N 2 2 387.265 2.479 20 0 GEADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000423153502 648585014 /nfs/dbraw/zinc/58/50/14/648585014.db2.gz HLSUVNQWUUQHEU-BPLDGKMQSA-N 2 2 389.309 2.096 20 0 GEADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000555548004 651228662 /nfs/dbraw/zinc/22/86/62/651228662.db2.gz ZFHVYJSSIZXBPF-PBHICJAKSA-N 2 2 380.330 2.236 20 0 GEADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000555548004 651228668 /nfs/dbraw/zinc/22/86/68/651228668.db2.gz ZFHVYJSSIZXBPF-PBHICJAKSA-N 2 2 380.330 2.236 20 0 GEADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000559636519 651299630 /nfs/dbraw/zinc/29/96/30/651299630.db2.gz CJCNNKBVCXCCDR-QGZVFWFLSA-N 2 2 385.346 2.352 20 0 GEADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000559636519 651299634 /nfs/dbraw/zinc/29/96/34/651299634.db2.gz CJCNNKBVCXCCDR-QGZVFWFLSA-N 2 2 385.346 2.352 20 0 GEADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000559636519 651299635 /nfs/dbraw/zinc/29/96/35/651299635.db2.gz CJCNNKBVCXCCDR-QGZVFWFLSA-N 2 2 385.346 2.352 20 0 GEADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000559636519 651299639 /nfs/dbraw/zinc/29/96/39/651299639.db2.gz CJCNNKBVCXCCDR-QGZVFWFLSA-N 2 2 385.346 2.352 20 0 GEADLP O=S(=O)(CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Br)c1 ZINC000644524065 651552566 /nfs/dbraw/zinc/55/25/66/651552566.db2.gz OPYVYYOXNHQMFQ-LSDHHAIUSA-N 2 2 387.343 2.439 20 0 GEADLP O=S(=O)(CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Br)c1 ZINC000644524065 651552571 /nfs/dbraw/zinc/55/25/71/651552571.db2.gz OPYVYYOXNHQMFQ-LSDHHAIUSA-N 2 2 387.343 2.439 20 0 GEADLP C[C@@]([NH3+])(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Br)cc1 ZINC000646264996 651684464 /nfs/dbraw/zinc/68/44/64/651684464.db2.gz IEOQDQZIVNCMKS-QAPCUYQASA-N 2 2 389.297 2.413 20 0 GEADLP O=C(C[NH2+]C1CC1)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000646557628 651701489 /nfs/dbraw/zinc/70/14/89/651701489.db2.gz ZSVCEVSJAKWELJ-UHFFFAOYSA-N 2 2 377.286 2.426 20 0 GEADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000649409594 651825510 /nfs/dbraw/zinc/82/55/10/651825510.db2.gz ASKDGKHSWZKDFJ-UHFFFAOYSA-N 2 2 379.302 2.441 20 0 GEADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000649409594 651825515 /nfs/dbraw/zinc/82/55/15/651825515.db2.gz ASKDGKHSWZKDFJ-UHFFFAOYSA-N 2 2 379.302 2.441 20 0 GEADLP NC(=O)[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348551 651916333 /nfs/dbraw/zinc/91/63/33/651916333.db2.gz HZCCGEZOWFIMAU-SVGFKBNWSA-N 2 2 396.329 2.194 20 0 GEADLP NC(=O)[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348551 651916339 /nfs/dbraw/zinc/91/63/39/651916339.db2.gz HZCCGEZOWFIMAU-SVGFKBNWSA-N 2 2 396.329 2.194 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1c(F)ccc(Br)c1F ZINC000617764426 651971480 /nfs/dbraw/zinc/97/14/80/651971480.db2.gz WZRNXGJPPNWLBQ-UHFFFAOYSA-N 2 2 392.288 2.270 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1c(F)ccc(Br)c1F ZINC000617764426 651971488 /nfs/dbraw/zinc/97/14/88/651971488.db2.gz WZRNXGJPPNWLBQ-UHFFFAOYSA-N 2 2 392.288 2.270 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c(F)ccc(Br)c1F ZINC000617764042 651972004 /nfs/dbraw/zinc/97/20/04/651972004.db2.gz GWWIZQHTGGDBKF-UHFFFAOYSA-N 2 2 378.261 2.341 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c(F)ccc(Br)c1F ZINC000617764042 651972010 /nfs/dbraw/zinc/97/20/10/651972010.db2.gz GWWIZQHTGGDBKF-UHFFFAOYSA-N 2 2 378.261 2.341 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000617765795 651972023 /nfs/dbraw/zinc/97/20/23/651972023.db2.gz PYZHPDWWCUBMPG-UHFFFAOYSA-N 2 2 395.345 2.473 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000617765795 651972026 /nfs/dbraw/zinc/97/20/26/651972026.db2.gz PYZHPDWWCUBMPG-UHFFFAOYSA-N 2 2 395.345 2.473 20 0 GEADLP O=C(C[C@H]1COCC[NH2+]1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000577215887 652170345 /nfs/dbraw/zinc/17/03/45/652170345.db2.gz YSHDGVKMTPKSQL-KRWDZBQOSA-N 2 2 386.323 2.453 20 0 GEADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000577622330 652202770 /nfs/dbraw/zinc/20/27/70/652202770.db2.gz NLUTVBOQDJELPI-QGZVFWFLSA-N 2 2 398.345 2.412 20 0 GEADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000577622330 652202775 /nfs/dbraw/zinc/20/27/75/652202775.db2.gz NLUTVBOQDJELPI-QGZVFWFLSA-N 2 2 398.345 2.412 20 0 GEADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000577622329 652202803 /nfs/dbraw/zinc/20/28/03/652202803.db2.gz NLUTVBOQDJELPI-KRWDZBQOSA-N 2 2 398.345 2.412 20 0 GEADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000577622329 652202809 /nfs/dbraw/zinc/20/28/09/652202809.db2.gz NLUTVBOQDJELPI-KRWDZBQOSA-N 2 2 398.345 2.412 20 0 GEADLP O[C@@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)COc1cc(F)cc(Br)c1 ZINC000578880657 652301486 /nfs/dbraw/zinc/30/14/86/652301486.db2.gz KCXDMASRHMYKOK-KGLIPLIRSA-N 2 2 384.249 2.129 20 0 GEADLP Brc1cc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc2c1OCCO2 ZINC000579342608 652332528 /nfs/dbraw/zinc/33/25/28/652332528.db2.gz WVOCJFYGBKVZPP-CVEARBPZSA-N 2 2 383.286 2.077 20 0 GEADLP COc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1Br ZINC000625519647 652351551 /nfs/dbraw/zinc/35/15/51/652351551.db2.gz OTHIRXLSIMTNDS-CQSZACIVSA-N 2 2 396.329 2.356 20 0 GEADLP COc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1Br ZINC000625519647 652351555 /nfs/dbraw/zinc/35/15/55/652351555.db2.gz OTHIRXLSIMTNDS-CQSZACIVSA-N 2 2 396.329 2.356 20 0 GEADLP C[NH2+][C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cccc(Cl)c1Cl ZINC000662716627 652471208 /nfs/dbraw/zinc/47/12/08/652471208.db2.gz GRHJXGMDRHEBQN-VYDXJSESSA-N 2 2 386.323 2.312 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1cc(Br)ccc1F ZINC000663678945 652508373 /nfs/dbraw/zinc/50/83/73/652508373.db2.gz VBSFYGYBUQZULI-UHFFFAOYSA-N 2 2 389.313 2.271 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1cc(Br)ccc1F ZINC000663678945 652508377 /nfs/dbraw/zinc/50/83/77/652508377.db2.gz VBSFYGYBUQZULI-UHFFFAOYSA-N 2 2 389.313 2.271 20 0 GEADLP CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000584377835 652518910 /nfs/dbraw/zinc/51/89/10/652518910.db2.gz HUKUAWAUNJUKIL-HIFRSBDPSA-N 2 2 385.496 2.101 20 0 GEADLP O=C(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)Nc1ccc(I)cc1 ZINC000585765450 652537137 /nfs/dbraw/zinc/53/71/37/652537137.db2.gz GRSRUXNIPOPDGM-LSDHHAIUSA-N 2 2 399.276 2.446 20 0 GEADLP O=C(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Nc1ccc(I)cc1 ZINC000585765450 652537141 /nfs/dbraw/zinc/53/71/41/652537141.db2.gz GRSRUXNIPOPDGM-LSDHHAIUSA-N 2 2 399.276 2.446 20 0 GEADLP O=C(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Nc1ccc(I)cc1 ZINC000585765449 652537165 /nfs/dbraw/zinc/53/71/65/652537165.db2.gz GRSRUXNIPOPDGM-HUUCEWRRSA-N 2 2 399.276 2.446 20 0 GEADLP O=C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Nc1ccc(I)cc1 ZINC000585765449 652537168 /nfs/dbraw/zinc/53/71/68/652537168.db2.gz GRSRUXNIPOPDGM-HUUCEWRRSA-N 2 2 399.276 2.446 20 0 GEADLP O=C(C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)Nc1ccc(I)cc1 ZINC000585765448 652537255 /nfs/dbraw/zinc/53/72/55/652537255.db2.gz GRSRUXNIPOPDGM-GJZGRUSLSA-N 2 2 399.276 2.446 20 0 GEADLP O=C(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Nc1ccc(I)cc1 ZINC000585765448 652537262 /nfs/dbraw/zinc/53/72/62/652537262.db2.gz GRSRUXNIPOPDGM-GJZGRUSLSA-N 2 2 399.276 2.446 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000664802166 652539487 /nfs/dbraw/zinc/53/94/87/652539487.db2.gz NIHVNKWZGAVRSY-DLBZAZTESA-N 2 2 397.361 2.488 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000664802166 652539490 /nfs/dbraw/zinc/53/94/90/652539490.db2.gz NIHVNKWZGAVRSY-DLBZAZTESA-N 2 2 397.361 2.488 20 0 GEADLP C[N@H+](CCO)C1CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634645372 652646417 /nfs/dbraw/zinc/64/64/17/652646417.db2.gz MJJCZZXIAUWWIF-MRXNPFEDSA-N 2 2 377.312 2.122 20 0 GEADLP C[N@@H+](CCO)C1CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634645372 652646421 /nfs/dbraw/zinc/64/64/21/652646421.db2.gz MJJCZZXIAUWWIF-MRXNPFEDSA-N 2 2 377.312 2.122 20 0 GEADLP NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000638449034 652889790 /nfs/dbraw/zinc/88/97/90/652889790.db2.gz ZUHKARLIWILJOY-CYBMUJFWSA-N 2 2 385.580 2.459 20 0 GEADLP NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000638449034 652889792 /nfs/dbraw/zinc/88/97/92/652889792.db2.gz ZUHKARLIWILJOY-CYBMUJFWSA-N 2 2 385.580 2.459 20 0 GEADLP C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638914682 652912761 /nfs/dbraw/zinc/91/27/61/652912761.db2.gz CTECDJPYJVQPDG-GDBMZVCRSA-N 2 2 379.551 2.396 20 0 GEADLP C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638914682 652912764 /nfs/dbraw/zinc/91/27/64/652912764.db2.gz CTECDJPYJVQPDG-GDBMZVCRSA-N 2 2 379.551 2.396 20 0 GEADLP Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000858244883 653356692 /nfs/dbraw/zinc/35/66/92/653356692.db2.gz JVQTXRNEMRQGAB-GJZGRUSLSA-N 2 2 388.965 2.026 20 0 GEADLP Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000858244883 653356696 /nfs/dbraw/zinc/35/66/96/653356696.db2.gz JVQTXRNEMRQGAB-GJZGRUSLSA-N 2 2 388.965 2.026 20 0 GEADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cccc(Br)n3)CC2)CC1 ZINC000817656396 653716749 /nfs/dbraw/zinc/71/67/49/653716749.db2.gz IOXRUTYGUYTEOO-UHFFFAOYSA-N 2 2 395.345 2.476 20 0 GEADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cccc(Br)n3)CC2)CC1 ZINC000817656396 653716751 /nfs/dbraw/zinc/71/67/51/653716751.db2.gz IOXRUTYGUYTEOO-UHFFFAOYSA-N 2 2 395.345 2.476 20 0 GEADLP C[C@](O)(C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Br)cc1F ZINC000818986266 653739977 /nfs/dbraw/zinc/73/99/77/653739977.db2.gz JSUDZEBGDKUHBY-ZQIUZPCESA-N 2 2 387.293 2.249 20 0 GEADLP C[C@](O)(C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(Br)cc1F ZINC000818986266 653739978 /nfs/dbraw/zinc/73/99/78/653739978.db2.gz JSUDZEBGDKUHBY-ZQIUZPCESA-N 2 2 387.293 2.249 20 0 GEADLP C[C@H](CNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884389557 653875046 /nfs/dbraw/zinc/87/50/46/653875046.db2.gz BBRSHRZXTGREKA-FOCJUVANSA-N 2 2 384.318 2.063 20 0 GEADLP C[C@H](CNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884389557 653875049 /nfs/dbraw/zinc/87/50/49/653875049.db2.gz BBRSHRZXTGREKA-FOCJUVANSA-N 2 2 384.318 2.063 20 0 GEADLP C[C@@H](CNC(=O)[C@H]([NH3+])c1ccc(Br)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884389556 653875130 /nfs/dbraw/zinc/87/51/30/653875130.db2.gz BBRSHRZXTGREKA-BCUIYNNISA-N 2 2 384.318 2.063 20 0 GEADLP C[C@@H](CNC(=O)[C@H]([NH3+])c1ccc(Br)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884389556 653875131 /nfs/dbraw/zinc/87/51/31/653875131.db2.gz BBRSHRZXTGREKA-BCUIYNNISA-N 2 2 384.318 2.063 20 0 GEADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000846226961 653891661 /nfs/dbraw/zinc/89/16/61/653891661.db2.gz FMLAWLMMBROLMC-KBAYOESNSA-N 2 2 386.945 2.475 20 0 GEADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000846226961 653891663 /nfs/dbraw/zinc/89/16/63/653891663.db2.gz FMLAWLMMBROLMC-KBAYOESNSA-N 2 2 386.945 2.475 20 0 GEADLP CN(C(=O)c1nc(F)ccc1Br)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000847484330 653930380 /nfs/dbraw/zinc/93/03/80/653930380.db2.gz BHFKMNOQNZDPBP-CYBMUJFWSA-N 2 2 399.308 2.224 20 0 GEADLP CN(C(=O)c1nc(F)ccc1Br)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000847484330 653930383 /nfs/dbraw/zinc/93/03/83/653930383.db2.gz BHFKMNOQNZDPBP-CYBMUJFWSA-N 2 2 399.308 2.224 20 0 GEADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)C1 ZINC000847872822 653950290 /nfs/dbraw/zinc/95/02/90/653950290.db2.gz OFYVGBJRGLDZBU-CQSZACIVSA-N 2 2 395.345 2.481 20 0 GEADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)C1 ZINC000847872822 653950293 /nfs/dbraw/zinc/95/02/93/653950293.db2.gz OFYVGBJRGLDZBU-CQSZACIVSA-N 2 2 395.345 2.481 20 0 GEADLP O[C@H](CN(CCn1cc[nH+]c1)Cc1ccc(Br)o1)C[NH+]1CCCC1 ZINC000796191570 653990617 /nfs/dbraw/zinc/99/06/17/653990617.db2.gz LSAZYZMGLHBWAN-HNNXBMFYSA-N 2 2 397.317 2.198 20 0 GEADLP [NH3+][C@H](c1nc(CC2CC[NH2+]CC2)no1)c1ccccc1I ZINC000900017397 654046756 /nfs/dbraw/zinc/04/67/56/654046756.db2.gz GWEUNPQYNIHSOV-AWEZNQCLSA-N 2 2 398.248 2.264 20 0 GEADLP C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000850518207 654080870 /nfs/dbraw/zinc/08/08/70/654080870.db2.gz COAWHKZEXBGRMJ-GDBMZVCRSA-N 2 2 378.460 2.464 20 0 GEADLP C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850518207 654080874 /nfs/dbraw/zinc/08/08/74/654080874.db2.gz COAWHKZEXBGRMJ-GDBMZVCRSA-N 2 2 378.460 2.464 20 0 GEADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C2 ZINC000903491103 654241192 /nfs/dbraw/zinc/24/11/92/654241192.db2.gz VFZLVOOILIFHJH-RVPKQNPDSA-N 2 2 386.279 2.144 20 0 GEADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C2 ZINC000903491103 654241195 /nfs/dbraw/zinc/24/11/95/654241195.db2.gz VFZLVOOILIFHJH-RVPKQNPDSA-N 2 2 386.279 2.144 20 0 GEADLP O=S(=O)(c1ccc(F)c(Cl)c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903561587 654256168 /nfs/dbraw/zinc/25/61/68/654256168.db2.gz KPKKQVSPEMBMQE-OKILXGFUSA-N 2 2 387.908 2.068 20 0 GEADLP O=S(=O)(c1ccc(F)c(Cl)c1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903561587 654256177 /nfs/dbraw/zinc/25/61/77/654256177.db2.gz KPKKQVSPEMBMQE-OKILXGFUSA-N 2 2 387.908 2.068 20 0 GEADLP Cc1cc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)ccc1Cl ZINC000903562803 654256497 /nfs/dbraw/zinc/25/64/97/654256497.db2.gz USFFOCCZOQZGQA-IYBDPMFKSA-N 2 2 383.945 2.238 20 0 GEADLP Cc1cc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)ccc1Cl ZINC000903562803 654256503 /nfs/dbraw/zinc/25/65/03/654256503.db2.gz USFFOCCZOQZGQA-IYBDPMFKSA-N 2 2 383.945 2.238 20 0 GEADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)Nc1cccc(I)c1)C2 ZINC000903850199 654287485 /nfs/dbraw/zinc/28/74/85/654287485.db2.gz LZVGOVZIJIUQOH-SUHUHFCYSA-N 2 2 385.249 2.041 20 0 GEADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)Nc1cccc(I)c1)C2 ZINC000903850199 654287489 /nfs/dbraw/zinc/28/74/89/654287489.db2.gz LZVGOVZIJIUQOH-SUHUHFCYSA-N 2 2 385.249 2.041 20 0 GEADLP CCN(C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1)[C@@H]1CC[NH2+]C1 ZINC000891782364 654311541 /nfs/dbraw/zinc/31/15/41/654311541.db2.gz GSXSIKQJYZKBIW-OAHLLOKOSA-N 2 2 394.317 2.341 20 0 GEADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000892794418 654364448 /nfs/dbraw/zinc/36/44/48/654364448.db2.gz UGDZYYFKUBGNQS-ZDUSSCGKSA-N 2 2 378.464 2.280 20 0 GEADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000892794418 654364453 /nfs/dbraw/zinc/36/44/53/654364453.db2.gz UGDZYYFKUBGNQS-ZDUSSCGKSA-N 2 2 378.464 2.280 20 0 GEADLP Cn1ncc(I)c1C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000894199995 654455272 /nfs/dbraw/zinc/45/52/72/654455272.db2.gz ORQDUASOUZNXNF-CYBMUJFWSA-N 2 2 387.269 2.426 20 0 GEADLP Cn1cc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)c(I)n1 ZINC000894383770 654471738 /nfs/dbraw/zinc/47/17/38/654471738.db2.gz HVDDHQQDPYEHRL-UHFFFAOYSA-N 2 2 384.265 2.376 20 0 GEADLP C[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cccc(Br)n1 ZINC000926868710 654583794 /nfs/dbraw/zinc/58/37/94/654583794.db2.gz ZCMVCFJUGNCQQV-HZPDHXFCSA-N 2 2 397.361 2.291 20 0 GEADLP Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ncc4c(n2)CC[NH2+]C4)CC3)cc1 ZINC001164671113 719498809 /nfs/dbraw/zinc/49/88/09/719498809.db2.gz BNRULUYDNASAQI-UHFFFAOYSA-N 2 2 397.498 2.133 20 0 GEADLP Fc1ccc(C[N@H+]2CCOCC23CCN(c2ncc4c(n2)CC[NH2+]C4)CC3)cc1 ZINC001164671113 719498814 /nfs/dbraw/zinc/49/88/14/719498814.db2.gz BNRULUYDNASAQI-UHFFFAOYSA-N 2 2 397.498 2.133 20 0 GEADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CCc4onc(Cn5cc[nH+]c5)c4C3)c2)CC1 ZINC001164676393 719566884 /nfs/dbraw/zinc/56/68/84/719566884.db2.gz DQDOBTPVBBRLLK-UHFFFAOYSA-N 3 2 394.479 2.350 20 0 GEADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+]ccc4cccc(C)c43)C2)C1 ZINC001164722359 720299746 /nfs/dbraw/zinc/29/97/46/720299746.db2.gz QFVUTSOYVMYLDA-QFIPXVFZSA-N 2 2 382.508 2.208 20 0 GEADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3[nH+]ccc4cccc(C)c43)C2)C1 ZINC001164722359 720299757 /nfs/dbraw/zinc/29/97/57/720299757.db2.gz QFVUTSOYVMYLDA-QFIPXVFZSA-N 2 2 382.508 2.208 20 0 GEADLP Cc1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164752629 720808763 /nfs/dbraw/zinc/80/87/63/720808763.db2.gz ZJXYFANKWNUNEB-OKZBNKHCSA-N 2 2 392.511 2.237 20 0 GEADLP Cc1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164752629 720808764 /nfs/dbraw/zinc/80/87/64/720808764.db2.gz ZJXYFANKWNUNEB-OKZBNKHCSA-N 2 2 392.511 2.237 20 0 GEADLP CCc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C)[nH+]1 ZINC001164746572 720837911 /nfs/dbraw/zinc/83/79/11/720837911.db2.gz ORQQLQYSGPWGQI-YSIASYRMSA-N 2 2 381.528 2.318 20 0 GEADLP CCc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C)[nH+]1 ZINC001164746572 720837914 /nfs/dbraw/zinc/83/79/14/720837914.db2.gz ORQQLQYSGPWGQI-YSIASYRMSA-N 2 2 381.528 2.318 20 0 GEADLP C[NH+]1CCN(c2cccc(N3CC[C@@]4(C[C@@H](Oc5cccnc5)CO4)C3)[nH+]2)CC1 ZINC001164916930 721806205 /nfs/dbraw/zinc/80/62/05/721806205.db2.gz SLKWRKRAPCUOEM-DENIHFKCSA-N 2 2 395.507 2.045 20 0 GEADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000151788892 531521145 /nfs/dbraw/zinc/52/11/45/531521145.db2.gz COSDDWBWPRQDST-RDTXWAMCSA-N 2 2 393.329 2.043 20 0 GEADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000151788892 531521152 /nfs/dbraw/zinc/52/11/52/531521152.db2.gz COSDDWBWPRQDST-RDTXWAMCSA-N 2 2 393.329 2.043 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cncc(Br)c3)CC2)CC1 ZINC000050802139 531738150 /nfs/dbraw/zinc/73/81/50/531738150.db2.gz LQCCDYNYBNIOJN-UHFFFAOYSA-N 2 2 381.318 2.133 20 0 GEADLP CC[NH+]1CCC(NC(=O)C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000158133161 531766249 /nfs/dbraw/zinc/76/62/49/531766249.db2.gz YQNHNCJCLADYBE-UHFFFAOYSA-N 2 2 388.339 2.388 20 0 GEADLP CC[NH+]1CCC(NC(=O)C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000158133161 531766254 /nfs/dbraw/zinc/76/62/54/531766254.db2.gz YQNHNCJCLADYBE-UHFFFAOYSA-N 2 2 388.339 2.388 20 0 GEADLP C[NH+]1CCN([C@@H]2CCCC[N@H+](CC(=O)NCc3ccc(Cl)s3)C2)CC1 ZINC000174898253 532082092 /nfs/dbraw/zinc/08/20/92/532082092.db2.gz XYLBFYUHFMTHRU-OAHLLOKOSA-N 2 2 384.977 2.120 20 0 GEADLP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CC(=O)NCc3ccc(Cl)s3)C2)CC1 ZINC000174898253 532082104 /nfs/dbraw/zinc/08/21/04/532082104.db2.gz XYLBFYUHFMTHRU-OAHLLOKOSA-N 2 2 384.977 2.120 20 0 GEADLP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)Nc1ccc(Br)cc1 ZINC000129466277 532179402 /nfs/dbraw/zinc/17/94/02/532179402.db2.gz QHLCBQRYQWYAFB-OAHLLOKOSA-N 2 2 396.329 2.432 20 0 GEADLP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)Nc1ccc(Br)cc1 ZINC000129466277 532179405 /nfs/dbraw/zinc/17/94/05/532179405.db2.gz QHLCBQRYQWYAFB-OAHLLOKOSA-N 2 2 396.329 2.432 20 0 GEADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000177487646 532173458 /nfs/dbraw/zinc/17/34/58/532173458.db2.gz PURQLFHAXWPFQX-QGZVFWFLSA-N 2 2 398.345 2.455 20 0 GEADLP CN(Cc1ccc(Br)o1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179278778 532227638 /nfs/dbraw/zinc/22/76/38/532227638.db2.gz NYXIVNFVNLIEMN-UHFFFAOYSA-N 2 2 387.322 2.210 20 0 GEADLP CN(C)c1cc[nH+]cc1C[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000185162903 532337017 /nfs/dbraw/zinc/33/70/17/532337017.db2.gz HXCBEQLWLVBLRH-UHFFFAOYSA-N 2 2 377.286 2.430 20 0 GEADLP COc1cc2[nH+]ccc(NC[C@H]3CN(C)CC[N@@H+]3C)c2cc1Br ZINC000425232629 532378164 /nfs/dbraw/zinc/37/81/64/532378164.db2.gz UVSCIAPZSXPZGT-LBPRGKRZSA-N 2 2 379.302 2.086 20 0 GEADLP COc1cc2[nH+]ccc(NC[C@H]3CN(C)CC[N@H+]3C)c2cc1Br ZINC000425232629 532378170 /nfs/dbraw/zinc/37/81/70/532378170.db2.gz UVSCIAPZSXPZGT-LBPRGKRZSA-N 2 2 379.302 2.086 20 0 GEADLP CN([C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCCCF ZINC000557432933 532364839 /nfs/dbraw/zinc/36/48/39/532364839.db2.gz VMXVIBAUQGHKAT-ZWKOTPCHSA-N 2 2 377.570 2.335 20 0 GEADLP CN([C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCCCF ZINC000557432933 532364843 /nfs/dbraw/zinc/36/48/43/532364843.db2.gz VMXVIBAUQGHKAT-ZWKOTPCHSA-N 2 2 377.570 2.335 20 0 GEADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000677695472 532381653 /nfs/dbraw/zinc/38/16/53/532381653.db2.gz UEPUIAHZNVXPFL-CYBMUJFWSA-N 2 2 385.295 2.289 20 0 GEADLP C[C@H]1CN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C[C@H]1[NH+](C)C ZINC000465285536 532414176 /nfs/dbraw/zinc/41/41/76/532414176.db2.gz MODPZDZSNYVZIC-SMDDNHRTSA-N 2 2 380.290 2.188 20 0 GEADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000466226469 532423550 /nfs/dbraw/zinc/42/35/50/532423550.db2.gz NIDAMKJNFOSNPB-XHDPSFHLSA-N 2 2 392.301 2.379 20 0 GEADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000466226469 532423555 /nfs/dbraw/zinc/42/35/55/532423555.db2.gz NIDAMKJNFOSNPB-XHDPSFHLSA-N 2 2 392.301 2.379 20 0 GEADLP CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+](C)CCC[NH+](C)C ZINC000517852720 532428351 /nfs/dbraw/zinc/42/83/51/532428351.db2.gz UTALVDXQRICVPE-ZDUSSCGKSA-N 2 2 386.334 2.346 20 0 GEADLP CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+](C)CCC[NH+](C)C ZINC000517852720 532428358 /nfs/dbraw/zinc/42/83/58/532428358.db2.gz UTALVDXQRICVPE-ZDUSSCGKSA-N 2 2 386.334 2.346 20 0 GEADLP CC[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1cc(F)cc(Br)c1 ZINC000561203427 532431294 /nfs/dbraw/zinc/43/12/94/532431294.db2.gz YJMAKEWAGWXRSP-LSDHHAIUSA-N 2 2 387.297 2.324 20 0 GEADLP CC[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1cc(F)cc(Br)c1 ZINC000561203427 532431303 /nfs/dbraw/zinc/43/13/03/532431303.db2.gz YJMAKEWAGWXRSP-LSDHHAIUSA-N 2 2 387.297 2.324 20 0 GEADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000428241649 532447790 /nfs/dbraw/zinc/44/77/90/532447790.db2.gz DUCRVSGUGBNLTI-ZDUSSCGKSA-N 2 2 375.270 2.479 20 0 GEADLP C[NH+](C)CCN1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1=O ZINC000651383113 532468388 /nfs/dbraw/zinc/46/83/88/532468388.db2.gz KLWGFQYPHMMZQI-UHFFFAOYSA-N 2 2 395.276 2.347 20 0 GEADLP C[C@@H](C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)[NH+]1CCSCC1 ZINC000429044037 532469441 /nfs/dbraw/zinc/46/94/41/532469441.db2.gz HEEKAFFRZOXKFC-WMZOPIPTSA-N 2 2 379.595 2.158 20 0 GEADLP C[C@@H](C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)[NH+]1CCSCC1 ZINC000429044037 532469447 /nfs/dbraw/zinc/46/94/47/532469447.db2.gz HEEKAFFRZOXKFC-WMZOPIPTSA-N 2 2 379.595 2.158 20 0 GEADLP C[C@@H](C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)[NH+]1CCSCC1 ZINC000429044031 532470264 /nfs/dbraw/zinc/47/02/64/532470264.db2.gz HEEKAFFRZOXKFC-FUHWJXTLSA-N 2 2 379.595 2.158 20 0 GEADLP C[C@@H](C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)[NH+]1CCSCC1 ZINC000429044031 532470269 /nfs/dbraw/zinc/47/02/69/532470269.db2.gz HEEKAFFRZOXKFC-FUHWJXTLSA-N 2 2 379.595 2.158 20 0 GEADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000562984988 532492059 /nfs/dbraw/zinc/49/20/59/532492059.db2.gz NQMGWGVYCJIOHM-GJZGRUSLSA-N 2 2 377.312 2.434 20 0 GEADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000562984988 532492064 /nfs/dbraw/zinc/49/20/64/532492064.db2.gz NQMGWGVYCJIOHM-GJZGRUSLSA-N 2 2 377.312 2.434 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430584763 532502272 /nfs/dbraw/zinc/50/22/72/532502272.db2.gz ZSCRCQZLUBTNTC-OAHLLOKOSA-N 2 2 387.265 2.255 20 0 GEADLP COCCOc1c(Cl)cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1Cl ZINC000521406691 532512594 /nfs/dbraw/zinc/51/25/94/532512594.db2.gz KCVPBDVNFGCCHT-LBPRGKRZSA-N 2 2 391.299 2.125 20 0 GEADLP COCCOc1c(Cl)cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1Cl ZINC000521406691 532512599 /nfs/dbraw/zinc/51/25/99/532512599.db2.gz KCVPBDVNFGCCHT-LBPRGKRZSA-N 2 2 391.299 2.125 20 0 GEADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccs2)C1 ZINC000246430929 532539551 /nfs/dbraw/zinc/53/95/51/532539551.db2.gz MQEKKXLQHIIMFK-NVXWUHKLSA-N 2 2 379.551 2.452 20 0 GEADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccs2)C1 ZINC000246430929 532539557 /nfs/dbraw/zinc/53/95/57/532539557.db2.gz MQEKKXLQHIIMFK-NVXWUHKLSA-N 2 2 379.551 2.452 20 0 GEADLP Cc1cc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000631330836 532553581 /nfs/dbraw/zinc/55/35/81/532553581.db2.gz JHLNWFCMAWJZLW-MRXNPFEDSA-N 2 2 389.297 2.470 20 0 GEADLP Cc1cc(N2CC([N@H+]3CC[C@@H](O)C3)C2)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000631330836 532553589 /nfs/dbraw/zinc/55/35/89/532553589.db2.gz JHLNWFCMAWJZLW-MRXNPFEDSA-N 2 2 389.297 2.470 20 0 GEADLP CN([C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cscn1 ZINC000565360769 532558763 /nfs/dbraw/zinc/55/87/63/532558763.db2.gz UYYOTLRYCQOFDM-HOTGVXAUSA-N 2 2 386.587 2.101 20 0 GEADLP CN([C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cscn1 ZINC000565360769 532558769 /nfs/dbraw/zinc/55/87/69/532558769.db2.gz UYYOTLRYCQOFDM-HOTGVXAUSA-N 2 2 386.587 2.101 20 0 GEADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COCC(F)(F)F)C1 ZINC000433209817 532559939 /nfs/dbraw/zinc/55/99/39/532559939.db2.gz SFPRPVGGNAQPSA-KBPBESRZSA-N 2 2 381.464 2.145 20 0 GEADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COCC(F)(F)F)C1 ZINC000433209817 532559945 /nfs/dbraw/zinc/55/99/45/532559945.db2.gz SFPRPVGGNAQPSA-KBPBESRZSA-N 2 2 381.464 2.145 20 0 GEADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COCC(F)(F)F)C1 ZINC000433209817 532559951 /nfs/dbraw/zinc/55/99/51/532559951.db2.gz SFPRPVGGNAQPSA-KBPBESRZSA-N 2 2 381.464 2.145 20 0 GEADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COCC(F)(F)F)C1 ZINC000433209817 532559956 /nfs/dbraw/zinc/55/99/56/532559956.db2.gz SFPRPVGGNAQPSA-KBPBESRZSA-N 2 2 381.464 2.145 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(O)cc(Br)c3)CC2)CC1 ZINC000528317147 532562546 /nfs/dbraw/zinc/56/25/46/532562546.db2.gz SVKFPAHHRPAIGE-UHFFFAOYSA-N 2 2 396.329 2.443 20 0 GEADLP Cc1[nH+]ccn1CC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000297065991 532564716 /nfs/dbraw/zinc/56/47/16/532564716.db2.gz LCTORKGASONMEJ-UHFFFAOYSA-N 2 2 376.258 2.269 20 0 GEADLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3nn(C)cc3Br)CC2)CC1 ZINC000432774509 532545704 /nfs/dbraw/zinc/54/57/04/532545704.db2.gz PMRPWTFVTRYKML-UHFFFAOYSA-N 2 2 384.366 2.173 20 0 GEADLP C[N@@H+]1CCN(C(=O)N[C@@H]2c3cccc(Br)c3CC2(C)C)[C@@H](C[NH3+])C1 ZINC000565882677 532583193 /nfs/dbraw/zinc/58/31/93/532583193.db2.gz GOTIPWYWMXJGFQ-BLLLJJGKSA-N 2 2 395.345 2.357 20 0 GEADLP C[N@H+]1CCN(C(=O)N[C@@H]2c3cccc(Br)c3CC2(C)C)[C@@H](C[NH3+])C1 ZINC000565882677 532583197 /nfs/dbraw/zinc/58/31/97/532583197.db2.gz GOTIPWYWMXJGFQ-BLLLJJGKSA-N 2 2 395.345 2.357 20 0 GEADLP Clc1ccc(-n2cc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)nn2)c(Cl)c1 ZINC000262083877 532584683 /nfs/dbraw/zinc/58/46/83/532584683.db2.gz FPPDKSAJPGBTRJ-OAHLLOKOSA-N 2 2 381.311 2.054 20 0 GEADLP Clc1ccc(-n2cc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)nn2)c(Cl)c1 ZINC000262083877 532584689 /nfs/dbraw/zinc/58/46/89/532584689.db2.gz FPPDKSAJPGBTRJ-OAHLLOKOSA-N 2 2 381.311 2.054 20 0 GEADLP CN(C)c1[nH+]cccc1CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261681569 532575550 /nfs/dbraw/zinc/57/55/50/532575550.db2.gz GXAFQLCIJJPJKZ-QGZVFWFLSA-N 2 2 377.286 2.400 20 0 GEADLP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc(I)c1OC ZINC000435373381 532615043 /nfs/dbraw/zinc/61/50/43/532615043.db2.gz MXSCXXDXZAHPDS-ZYHUDNBSSA-N 2 2 390.265 2.478 20 0 GEADLP COc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc(I)c1OC ZINC000435373381 532615050 /nfs/dbraw/zinc/61/50/50/532615050.db2.gz MXSCXXDXZAHPDS-ZYHUDNBSSA-N 2 2 390.265 2.478 20 0 GEADLP COc1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc(I)c1OC ZINC000435373705 532615854 /nfs/dbraw/zinc/61/58/54/532615854.db2.gz ODLSEAYCVKJGMZ-JQWIXIFHSA-N 2 2 390.265 2.478 20 0 GEADLP COc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc(I)c1OC ZINC000435373705 532615862 /nfs/dbraw/zinc/61/58/62/532615862.db2.gz ODLSEAYCVKJGMZ-JQWIXIFHSA-N 2 2 390.265 2.478 20 0 GEADLP Ic1ccc(CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000596651228 532601691 /nfs/dbraw/zinc/60/16/91/532601691.db2.gz CNJDPMXQHGOSRL-CVEARBPZSA-N 2 2 386.277 2.190 20 0 GEADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2cccc(O)c2Br)C1=O ZINC000567086970 532640125 /nfs/dbraw/zinc/64/01/25/532640125.db2.gz VGOJIWIPUHXRCD-CYBMUJFWSA-N 2 2 393.285 2.169 20 0 GEADLP CC[N@H+](C)C[C@@H](O)CN1CC[NH+]([C@H](C)c2ccc(Br)cc2)CC1 ZINC000567286115 532648211 /nfs/dbraw/zinc/64/82/11/532648211.db2.gz AWEHGDMNBGNBFN-CRAIPNDOSA-N 2 2 384.362 2.440 20 0 GEADLP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+]([C@H](C)c2ccc(Br)cc2)CC1 ZINC000567286115 532648218 /nfs/dbraw/zinc/64/82/18/532648218.db2.gz AWEHGDMNBGNBFN-CRAIPNDOSA-N 2 2 384.362 2.440 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1cc(F)cc(Br)c1 ZINC000663766302 532685736 /nfs/dbraw/zinc/68/57/36/532685736.db2.gz OTIWKLWZENFJRN-UHFFFAOYSA-N 2 2 389.313 2.271 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1cc(F)cc(Br)c1 ZINC000663766302 532685743 /nfs/dbraw/zinc/68/57/43/532685743.db2.gz OTIWKLWZENFJRN-UHFFFAOYSA-N 2 2 389.313 2.271 20 0 GEADLP O=C(C[NH2+][C@H](CO)c1c(Cl)cccc1Cl)NC1CC[NH+](C2CC2)CC1 ZINC000483247465 532676342 /nfs/dbraw/zinc/67/63/42/532676342.db2.gz BGFFWKWMJWKBSN-MRXNPFEDSA-N 2 2 386.323 2.359 20 0 GEADLP C[NH+](C)C1CC[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000438851500 532679174 /nfs/dbraw/zinc/67/91/74/532679174.db2.gz YHQHPRAKTQWCCS-HNNXBMFYSA-N 2 2 375.282 2.354 20 0 GEADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(S(N)(=O)=O)c(Br)c2)CC[N@@H+]1C ZINC000638115427 532681370 /nfs/dbraw/zinc/68/13/70/532681370.db2.gz BZBKKHSVVAKUKW-YPMHNXCESA-N 2 2 390.347 2.011 20 0 GEADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(S(N)(=O)=O)c(Br)c2)CC[N@H+]1C ZINC000638115427 532681380 /nfs/dbraw/zinc/68/13/80/532681380.db2.gz BZBKKHSVVAKUKW-YPMHNXCESA-N 2 2 390.347 2.011 20 0 GEADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(S(N)(=O)=O)c(Br)c2)CC[NH+]1C ZINC000638115427 532681384 /nfs/dbraw/zinc/68/13/84/532681384.db2.gz BZBKKHSVVAKUKW-YPMHNXCESA-N 2 2 390.347 2.011 20 0 GEADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(S(N)(=O)=O)c(Br)c2)CC[NH+]1C ZINC000638115427 532681391 /nfs/dbraw/zinc/68/13/91/532681391.db2.gz BZBKKHSVVAKUKW-YPMHNXCESA-N 2 2 390.347 2.011 20 0 GEADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCSC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000577061815 532732572 /nfs/dbraw/zinc/73/25/72/532732572.db2.gz UZOIRZZFCLCPQN-YCPHGPKFSA-N 2 2 375.460 2.436 20 0 GEADLP CC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCSC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000577061815 532732574 /nfs/dbraw/zinc/73/25/74/532732574.db2.gz UZOIRZZFCLCPQN-YCPHGPKFSA-N 2 2 375.460 2.436 20 0 GEADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000579712210 532742949 /nfs/dbraw/zinc/74/29/49/532742949.db2.gz KMRXPPYAZYPFLA-VNQPRFMTSA-N 2 2 380.330 2.337 20 0 GEADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000579712210 532742953 /nfs/dbraw/zinc/74/29/53/532742953.db2.gz KMRXPPYAZYPFLA-VNQPRFMTSA-N 2 2 380.330 2.337 20 0 GEADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000507705238 532757890 /nfs/dbraw/zinc/75/78/90/532757890.db2.gz UCYMHDJJCKFQLX-UHFFFAOYSA-N 2 2 398.345 2.314 20 0 GEADLP C[C@@](O)(CNc1cc[nH+]c2ccc(Br)cc12)C[NH+]1CCOCC1 ZINC000301782673 532760548 /nfs/dbraw/zinc/76/05/48/532760548.db2.gz TZYFHUXDMLJMQM-QGZVFWFLSA-N 2 2 380.286 2.492 20 0 GEADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCS(=O)(=O)c1ccc(Br)cc1)C2 ZINC000320792777 532787722 /nfs/dbraw/zinc/78/77/22/532787722.db2.gz ZDXVORGKCAWDHO-BBRMVZONSA-N 2 2 387.343 2.284 20 0 GEADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCS(=O)(=O)c1ccc(Br)cc1)C2 ZINC000320792777 532787726 /nfs/dbraw/zinc/78/77/26/532787726.db2.gz ZDXVORGKCAWDHO-BBRMVZONSA-N 2 2 387.343 2.284 20 0 GEADLP CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000271510166 532807742 /nfs/dbraw/zinc/80/77/42/532807742.db2.gz NRFPWHFNNMFMDH-GOSISDBHSA-N 2 2 385.961 2.318 20 0 GEADLP CS(=O)(=O)N1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000271525546 532807809 /nfs/dbraw/zinc/80/78/09/532807809.db2.gz PZGCOPWYSGEAIG-MRXNPFEDSA-N 2 2 385.961 2.176 20 0 GEADLP Cn1ncc(Br)c1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000288592845 532832728 /nfs/dbraw/zinc/83/27/28/532832728.db2.gz OVLWHDIACHPBFY-UHFFFAOYSA-N 2 2 382.306 2.198 20 0 GEADLP CCC[NH2+]CC[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000414874860 532835210 /nfs/dbraw/zinc/83/52/10/532835210.db2.gz SWEZOTYNQYCKTH-UHFFFAOYSA-N 2 2 378.254 2.398 20 0 GEADLP COc1sc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1Br ZINC000415125024 532838085 /nfs/dbraw/zinc/83/80/85/532838085.db2.gz KYFCTSUXFMRXSB-NSHDSACASA-N 2 2 386.319 2.407 20 0 GEADLP COc1sc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1Br ZINC000415125024 532838086 /nfs/dbraw/zinc/83/80/86/532838086.db2.gz KYFCTSUXFMRXSB-NSHDSACASA-N 2 2 386.319 2.407 20 0 GEADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000331916451 532846270 /nfs/dbraw/zinc/84/62/70/532846270.db2.gz NQFIALVDUKEJER-ZDUSSCGKSA-N 2 2 392.301 2.332 20 0 GEADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cc(Br)cs3)CC2)CC1 ZINC000289944986 532869160 /nfs/dbraw/zinc/86/91/60/532869160.db2.gz XKEAQRYWPBLYSD-UHFFFAOYSA-N 2 2 386.359 2.497 20 0 GEADLP Cn1c[nH+]cc1CC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000290001560 532869931 /nfs/dbraw/zinc/86/99/31/532869931.db2.gz LGJMTVOTDROBLA-UHFFFAOYSA-N 2 2 392.301 2.471 20 0 GEADLP CCS(=O)(=O)c1c(Cl)cccc1C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000290164500 532874215 /nfs/dbraw/zinc/87/42/15/532874215.db2.gz MFKAAGJEJFROOC-UHFFFAOYSA-N 2 2 389.993 2.449 20 0 GEADLP CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000290164500 532874219 /nfs/dbraw/zinc/87/42/19/532874219.db2.gz MFKAAGJEJFROOC-UHFFFAOYSA-N 2 2 389.993 2.449 20 0 GEADLP Brc1cccc(N2CC[C@H]([NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)c1 ZINC000423086599 532893734 /nfs/dbraw/zinc/89/37/34/532893734.db2.gz MHFAUFQXZVJSGW-RYQLBKOJSA-N 2 2 380.330 2.384 20 0 GEADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])[nH+]c12 ZINC000423039849 532892987 /nfs/dbraw/zinc/89/29/87/532892987.db2.gz RWKMTCVVJBDEFO-DAXOMENPSA-N 3 2 381.318 2.290 20 0 GEADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])[nH+]c12 ZINC000423039851 532892994 /nfs/dbraw/zinc/89/29/94/532892994.db2.gz RWKMTCVVJBDEFO-UHOFOFEASA-N 3 2 381.318 2.290 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccccc3Br)C2)CC1 ZINC000365258389 532909294 /nfs/dbraw/zinc/90/92/94/532909294.db2.gz FGVVZLMVCWSSMY-HNNXBMFYSA-N 2 2 395.345 2.417 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3ccccc3Br)C2)CC1 ZINC000365258389 532909295 /nfs/dbraw/zinc/90/92/95/532909295.db2.gz FGVVZLMVCWSSMY-HNNXBMFYSA-N 2 2 395.345 2.417 20 0 GEADLP CN(C(=O)c1cccnc1Br)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000366063225 532914177 /nfs/dbraw/zinc/91/41/77/532914177.db2.gz VKKGZJHZKIUULU-AWEZNQCLSA-N 2 2 381.318 2.085 20 0 GEADLP CN(C(=O)c1cccnc1Br)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000366063225 532914178 /nfs/dbraw/zinc/91/41/78/532914178.db2.gz VKKGZJHZKIUULU-AWEZNQCLSA-N 2 2 381.318 2.085 20 0 GEADLP C[C@@H](c1ncc(Br)cn1)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367846867 532928136 /nfs/dbraw/zinc/92/81/36/532928136.db2.gz GODCYUIHRSJLON-BBRMVZONSA-N 2 2 382.350 2.400 20 0 GEADLP C[C@@H](c1ncc(Br)cn1)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367846867 532928137 /nfs/dbraw/zinc/92/81/37/532928137.db2.gz GODCYUIHRSJLON-BBRMVZONSA-N 2 2 382.350 2.400 20 0 GEADLP C[C@H]1CN(C(=O)c2cc(Br)ccc2O)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000371458833 532948263 /nfs/dbraw/zinc/94/82/63/532948263.db2.gz MLJIFOCZBCCCBJ-ZDUSSCGKSA-N 2 2 396.329 2.395 20 0 GEADLP C[C@H]1CN(C(=O)c2cc(Br)ccc2O)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000371458833 532948264 /nfs/dbraw/zinc/94/82/64/532948264.db2.gz MLJIFOCZBCCCBJ-ZDUSSCGKSA-N 2 2 396.329 2.395 20 0 GEADLP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736449572 598716996 /nfs/dbraw/zinc/71/69/96/598716996.db2.gz YWNZSWVJDQEBKC-UHFFFAOYSA-N 2 2 399.543 2.023 20 0 GEADLP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736449572 598716999 /nfs/dbraw/zinc/71/69/99/598716999.db2.gz YWNZSWVJDQEBKC-UHFFFAOYSA-N 2 2 399.543 2.023 20 0 GEADLP O=C(CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737838202 598762627 /nfs/dbraw/zinc/76/26/27/598762627.db2.gz KIIXDVPJUCEQFS-ZDUSSCGKSA-N 2 2 398.496 2.086 20 0 GEADLP O=C(CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1sccc1-c1nn[nH]n1 ZINC000737838202 598762629 /nfs/dbraw/zinc/76/26/29/598762629.db2.gz KIIXDVPJUCEQFS-ZDUSSCGKSA-N 2 2 398.496 2.086 20 0 GEADLP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000736199247 599338080 /nfs/dbraw/zinc/33/80/80/599338080.db2.gz WTUDIMZXSFFFNK-MRXNPFEDSA-N 2 2 380.500 2.221 20 0 GEADLP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000736199247 599338083 /nfs/dbraw/zinc/33/80/83/599338083.db2.gz WTUDIMZXSFFFNK-MRXNPFEDSA-N 2 2 380.500 2.221 20 0 GEADLP C[NH+](C)C1(CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)Cc2ccccc2C1 ZINC000821581141 599582319 /nfs/dbraw/zinc/58/23/19/599582319.db2.gz DJORBMDXQLFWJT-UHFFFAOYSA-N 2 2 385.475 2.348 20 0 GEADLP COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000821649941 606318750 /nfs/dbraw/zinc/31/87/50/606318750.db2.gz HBPLBRUSUYCACB-SFHVURJKSA-N 2 2 386.500 2.133 20 0 GEADLP COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000821649941 606318753 /nfs/dbraw/zinc/31/87/53/606318753.db2.gz HBPLBRUSUYCACB-SFHVURJKSA-N 2 2 386.500 2.133 20 0 GEADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000822476970 606616243 /nfs/dbraw/zinc/61/62/43/606616243.db2.gz BNQCQVJSRHZXFJ-INIZCTEOSA-N 2 2 391.439 2.086 20 0 GEADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000822476970 606616244 /nfs/dbraw/zinc/61/62/44/606616244.db2.gz BNQCQVJSRHZXFJ-INIZCTEOSA-N 2 2 391.439 2.086 20 0 GEADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)CC[C@H]21 ZINC000821625373 607002600 /nfs/dbraw/zinc/00/26/00/607002600.db2.gz MCNWXGNPDBJPLA-IEBWSBKVSA-N 2 2 378.484 2.104 20 0 GEADLP C[N@H+]1CCC[C@@H]2C[NH+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)CC[C@H]21 ZINC000821625373 607002602 /nfs/dbraw/zinc/00/26/02/607002602.db2.gz MCNWXGNPDBJPLA-IEBWSBKVSA-N 2 2 378.484 2.104 20 0 GEADLP C[NH+]1CCC[C@@H]2C[N@H+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)CC[C@H]21 ZINC000821625373 607002604 /nfs/dbraw/zinc/00/26/04/607002604.db2.gz MCNWXGNPDBJPLA-IEBWSBKVSA-N 2 2 378.484 2.104 20 0 GEADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)CC[C@H]21 ZINC000821625373 607002606 /nfs/dbraw/zinc/00/26/06/607002606.db2.gz MCNWXGNPDBJPLA-IEBWSBKVSA-N 2 2 378.484 2.104 20 0 GEADLP C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000819867975 607236015 /nfs/dbraw/zinc/23/60/15/607236015.db2.gz WDDYXQWCYNKAKY-LBPRGKRZSA-N 2 2 388.863 2.066 20 0 GEADLP C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000819867975 607236016 /nfs/dbraw/zinc/23/60/16/607236016.db2.gz WDDYXQWCYNKAKY-LBPRGKRZSA-N 2 2 388.863 2.066 20 0 GEADLP c1cc2c(cc1-c1nn[nH]n1)CCC[C@@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000826518193 608510031 /nfs/dbraw/zinc/51/00/31/608510031.db2.gz FEKQAVGOJCJOHV-IBGZPJMESA-N 2 2 382.512 2.479 20 0 GEADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824579465 609337177 /nfs/dbraw/zinc/33/71/77/609337177.db2.gz ZNBORXHKXZQDFS-BTYIYWSLSA-N 2 2 396.470 2.293 20 0 GEADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824579465 609337179 /nfs/dbraw/zinc/33/71/79/609337179.db2.gz ZNBORXHKXZQDFS-BTYIYWSLSA-N 2 2 396.470 2.293 20 0 GEADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(F)c(I)c1 ZINC000453193411 650206669 /nfs/dbraw/zinc/20/66/69/650206669.db2.gz HTVSYFVCEFWCAU-QMTHXVAHSA-N 2 2 378.229 2.148 20 0 GEADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(F)c(I)c1 ZINC000453193411 650206672 /nfs/dbraw/zinc/20/66/72/650206672.db2.gz HTVSYFVCEFWCAU-QMTHXVAHSA-N 2 2 378.229 2.148 20 0 GEADLP C[NH+](C)[C@@]1(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CCSC1 ZINC000480275681 650618735 /nfs/dbraw/zinc/61/87/35/650618735.db2.gz QNNIAQKGAKHSHL-IEBWSBKVSA-N 2 2 379.595 2.330 20 0 GEADLP O=c1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)nc2ccc(Br)cn12 ZINC000532583820 650750501 /nfs/dbraw/zinc/75/05/01/650750501.db2.gz ZNZLYEDELRXEOI-AWEZNQCLSA-N 2 2 391.313 2.375 20 0 GEADLP O=c1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)nc2ccc(Br)cn12 ZINC000532583820 650750507 /nfs/dbraw/zinc/75/05/07/650750507.db2.gz ZNZLYEDELRXEOI-AWEZNQCLSA-N 2 2 391.313 2.375 20 0 GEADLP CC[NH+]1CCC([N@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000532588323 650750720 /nfs/dbraw/zinc/75/07/20/650750720.db2.gz VMRDKRFOWRSIEY-UHFFFAOYSA-N 2 2 379.302 2.373 20 0 GEADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000532588323 650750722 /nfs/dbraw/zinc/75/07/22/650750722.db2.gz VMRDKRFOWRSIEY-UHFFFAOYSA-N 2 2 379.302 2.373 20 0 GEADLP O[C@H]([C@@H]1CCC[NH+]1CCC[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F)C(F)(F)F ZINC000489262410 650756638 /nfs/dbraw/zinc/75/66/38/650756638.db2.gz ZFKZUXTZPIROOT-WUHRBBMRSA-N 2 2 378.357 2.152 20 0 GEADLP O[C@H]([C@@H]1CCC[NH+]1CCC[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F)C(F)(F)F ZINC000489262410 650756639 /nfs/dbraw/zinc/75/66/39/650756639.db2.gz ZFKZUXTZPIROOT-WUHRBBMRSA-N 2 2 378.357 2.152 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1nc(Br)cs1 ZINC000120035610 643587566 /nfs/dbraw/zinc/58/75/66/643587566.db2.gz SBPQDHQQAQOUEQ-UHFFFAOYSA-N 2 2 375.336 2.004 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1nc(Br)cs1 ZINC000120035610 643587572 /nfs/dbraw/zinc/58/75/72/643587572.db2.gz SBPQDHQQAQOUEQ-UHFFFAOYSA-N 2 2 375.336 2.004 20 0 GEADLP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000540183571 650858466 /nfs/dbraw/zinc/85/84/66/650858466.db2.gz RPFINPKWBSRREG-CABCVRRESA-N 2 2 385.961 2.245 20 0 GEADLP CSCc1nn(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(=S)o1 ZINC000124687854 643689735 /nfs/dbraw/zinc/68/97/35/643689735.db2.gz WZZGEDOUUHDHRB-YIONKMFJSA-N 2 2 383.587 2.269 20 0 GEADLP CSCc1nn(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(=S)o1 ZINC000124687854 643689740 /nfs/dbraw/zinc/68/97/40/643689740.db2.gz WZZGEDOUUHDHRB-YIONKMFJSA-N 2 2 383.587 2.269 20 0 GEADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261824465 645603534 /nfs/dbraw/zinc/60/35/34/645603534.db2.gz YFZZCMXBRJJXON-IAQYHMDHSA-N 2 2 387.265 2.289 20 0 GEADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261824465 645603544 /nfs/dbraw/zinc/60/35/44/645603544.db2.gz YFZZCMXBRJJXON-IAQYHMDHSA-N 2 2 387.265 2.289 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ncsc3C(F)(F)F)CC2)CC1 ZINC000279580102 646613607 /nfs/dbraw/zinc/61/36/07/646613607.db2.gz QJZHPJRHFYWMKO-UHFFFAOYSA-N 2 2 376.448 2.450 20 0 GEADLP O[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)COc1ccc(Cl)c(Cl)c1 ZINC000325845806 647303369 /nfs/dbraw/zinc/30/33/69/647303369.db2.gz TUPNQMMGHYDJSM-GUTXKFCHSA-N 2 2 375.296 2.186 20 0 GEADLP O[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)COc1ccc(Cl)c(Cl)c1 ZINC000325845806 647303374 /nfs/dbraw/zinc/30/33/74/647303374.db2.gz TUPNQMMGHYDJSM-GUTXKFCHSA-N 2 2 375.296 2.186 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccc(Br)cc3)C2)CC1 ZINC000363408576 647594934 /nfs/dbraw/zinc/59/49/34/647594934.db2.gz FNELIJSIPQTMAB-INIZCTEOSA-N 2 2 395.345 2.417 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3ccc(Br)cc3)C2)CC1 ZINC000363408576 647594938 /nfs/dbraw/zinc/59/49/38/647594938.db2.gz FNELIJSIPQTMAB-INIZCTEOSA-N 2 2 395.345 2.417 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H](O)c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000367051890 647716085 /nfs/dbraw/zinc/71/60/85/647716085.db2.gz FQRRWOCJSZCTTF-NVXWUHKLSA-N 2 2 386.323 2.312 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H](O)c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000367051890 647716092 /nfs/dbraw/zinc/71/60/92/647716092.db2.gz FQRRWOCJSZCTTF-NVXWUHKLSA-N 2 2 386.323 2.312 20 0 GEADLP CCn1cc(Br)cc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369264034 647774789 /nfs/dbraw/zinc/77/47/89/647774789.db2.gz AAINTGGBORZTAF-CQSZACIVSA-N 2 2 383.334 2.169 20 0 GEADLP CCn1cc(Br)cc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369264034 647774796 /nfs/dbraw/zinc/77/47/96/647774796.db2.gz AAINTGGBORZTAF-CQSZACIVSA-N 2 2 383.334 2.169 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@@](C)(C[NH3+])C3)[nH+]c12 ZINC000418015480 648269927 /nfs/dbraw/zinc/26/99/27/648269927.db2.gz DRBCCTGJWXLUOK-KRWDZBQOSA-N 2 2 394.317 2.328 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CC[NH2+][C@H](C)C3)[nH+]c12 ZINC000418016703 648270544 /nfs/dbraw/zinc/27/05/44/648270544.db2.gz GDODNPAGKVSRMX-TZMCWYRMSA-N 2 2 394.317 2.387 20 0 GEADLP C[NH2+]CCCNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000418282173 648290853 /nfs/dbraw/zinc/29/08/53/648290853.db2.gz XAABTMRSNCTGCG-UHFFFAOYSA-N 2 2 384.278 2.060 20 0 GEADLP CC[NH2+][C@H](C)CNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000418587756 648303103 /nfs/dbraw/zinc/30/31/03/648303103.db2.gz DIYBGRNIFRDDDB-CYBMUJFWSA-N 2 2 398.305 2.448 20 0 GEADLP O=C1[C@H]([N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CCN1c1ccc(Cl)cc1Cl ZINC000420349119 648413516 /nfs/dbraw/zinc/41/35/16/648413516.db2.gz NUWBNUXMIBQMFQ-WMLDXEAASA-N 2 2 383.323 2.078 20 0 GEADLP O=C1[C@H]([N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CCN1c1ccc(Cl)cc1Cl ZINC000420349119 648413518 /nfs/dbraw/zinc/41/35/18/648413518.db2.gz NUWBNUXMIBQMFQ-WMLDXEAASA-N 2 2 383.323 2.078 20 0 GEADLP COc1cc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc(Br)c1OC ZINC000422946860 648578211 /nfs/dbraw/zinc/57/82/11/648578211.db2.gz PMWWKQNXLLXKFI-CVEARBPZSA-N 2 2 385.302 2.323 20 0 GEADLP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422957001 648578926 /nfs/dbraw/zinc/57/89/26/648578926.db2.gz RWLWWCFTXWOFJJ-FUHWJXTLSA-N 2 2 396.329 2.443 20 0 GEADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000422995831 648580433 /nfs/dbraw/zinc/58/04/33/648580433.db2.gz ZLEUCKHPHRLPCB-RHSMWYFYSA-N 2 2 398.345 2.142 20 0 GEADLP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1c(Br)cncc1Br ZINC000423155073 648585023 /nfs/dbraw/zinc/58/50/23/648585023.db2.gz ISZKUZWWZLCIEE-IYYTYJHQSA-N 2 2 393.123 2.449 20 0 GEADLP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423163997 648585608 /nfs/dbraw/zinc/58/56/08/648585608.db2.gz RZMPBJZCTNAOBL-ZOCIIQOWSA-N 2 2 397.357 2.265 20 0 GEADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ccc(I)cc1 ZINC000424337468 648623140 /nfs/dbraw/zinc/62/31/40/648623140.db2.gz RVRSLSIGWDNMQQ-ZLKJLUDKSA-N 2 2 387.265 2.478 20 0 GEADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000430555065 648763351 /nfs/dbraw/zinc/76/33/51/648763351.db2.gz HSQSMEQAZKCDOO-KRWDZBQOSA-N 2 2 386.334 2.249 20 0 GEADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC000430563604 648763907 /nfs/dbraw/zinc/76/39/07/648763907.db2.gz JLHQCQGMJZFOQF-RYUDHWBXSA-N 2 2 387.265 2.289 20 0 GEADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC000430563604 648763913 /nfs/dbraw/zinc/76/39/13/648763913.db2.gz JLHQCQGMJZFOQF-RYUDHWBXSA-N 2 2 387.265 2.289 20 0 GEADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000430565731 648764117 /nfs/dbraw/zinc/76/41/17/648764117.db2.gz GAGXSEZQKKKAHX-CQSZACIVSA-N 2 2 375.254 2.193 20 0 GEADLP C[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccc(I)cc2)CC[N@@H+]1C ZINC000556606221 651247725 /nfs/dbraw/zinc/24/77/25/651247725.db2.gz UYFUNPMRTPFAPQ-BXUZGUMPSA-N 2 2 387.265 2.302 20 0 GEADLP C[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccc(I)cc2)CC[N@H+]1C ZINC000556606221 651247726 /nfs/dbraw/zinc/24/77/26/651247726.db2.gz UYFUNPMRTPFAPQ-BXUZGUMPSA-N 2 2 387.265 2.302 20 0 GEADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2I)C[C@H]1CC[NH3+] ZINC000723902982 651478145 /nfs/dbraw/zinc/47/81/45/651478145.db2.gz RYVHGZAGAJSGDL-VXGBXAGGSA-N 2 2 387.265 2.146 20 0 GEADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2I)C[C@H]1CC[NH3+] ZINC000723902982 651478147 /nfs/dbraw/zinc/47/81/47/651478147.db2.gz RYVHGZAGAJSGDL-VXGBXAGGSA-N 2 2 387.265 2.146 20 0 GEADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000566232068 651605854 /nfs/dbraw/zinc/60/58/54/651605854.db2.gz YIKCWNSOVAVCPU-UONOGXRCSA-N 2 2 377.312 2.170 20 0 GEADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000566232068 651605882 /nfs/dbraw/zinc/60/58/82/651605882.db2.gz YIKCWNSOVAVCPU-UONOGXRCSA-N 2 2 377.312 2.170 20 0 GEADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000568162152 651653272 /nfs/dbraw/zinc/65/32/72/651653272.db2.gz PEWYGQNXYBAGAY-DZGCQCFKSA-N 2 2 384.318 2.098 20 0 GEADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000568162152 651653279 /nfs/dbraw/zinc/65/32/79/651653279.db2.gz PEWYGQNXYBAGAY-DZGCQCFKSA-N 2 2 384.318 2.098 20 0 GEADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000568162153 651653407 /nfs/dbraw/zinc/65/34/07/651653407.db2.gz PEWYGQNXYBAGAY-HIFRSBDPSA-N 2 2 384.318 2.098 20 0 GEADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000568162153 651653414 /nfs/dbraw/zinc/65/34/14/651653414.db2.gz PEWYGQNXYBAGAY-HIFRSBDPSA-N 2 2 384.318 2.098 20 0 GEADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1cc(Cl)cc(I)c1)C1CC1 ZINC000570921268 651800158 /nfs/dbraw/zinc/80/01/58/651800158.db2.gz UJUMTAZXHSIRRP-AWEZNQCLSA-N 2 2 394.684 2.489 20 0 GEADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1cc(Cl)cc(I)c1)C1CC1 ZINC000570921268 651800161 /nfs/dbraw/zinc/80/01/61/651800161.db2.gz UJUMTAZXHSIRRP-AWEZNQCLSA-N 2 2 394.684 2.489 20 0 GEADLP C[NH+]1CCN(c2cc[nH+]cc2NS(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000571479920 651834854 /nfs/dbraw/zinc/83/48/54/651834854.db2.gz ZRJKNMNJUIGGLE-UHFFFAOYSA-N 2 2 380.901 2.429 20 0 GEADLP C[NH+](C)CC1CC[NH+](CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)CC1 ZINC000738077451 651879538 /nfs/dbraw/zinc/87/95/38/651879538.db2.gz UZBNIVLURLGIHW-QGZVFWFLSA-N 2 2 384.933 2.400 20 0 GEADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)CC1 ZINC000572852155 651917249 /nfs/dbraw/zinc/91/72/49/651917249.db2.gz JFUTUZDGUSXWHD-INIZCTEOSA-N 2 2 381.318 2.145 20 0 GEADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]2c2ccc(Br)cn2)CC1 ZINC000572852155 651917258 /nfs/dbraw/zinc/91/72/58/651917258.db2.gz JFUTUZDGUSXWHD-INIZCTEOSA-N 2 2 381.318 2.145 20 0 GEADLP COc1c(Br)c(C)sc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617766613 651971726 /nfs/dbraw/zinc/97/17/26/651971726.db2.gz QXXARAMWDHBZSX-UHFFFAOYSA-N 2 2 392.363 2.441 20 0 GEADLP COc1c(Br)c(C)sc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617766613 651971732 /nfs/dbraw/zinc/97/17/32/651971732.db2.gz QXXARAMWDHBZSX-UHFFFAOYSA-N 2 2 392.363 2.441 20 0 GEADLP Cc1nc2ccc(Br)cn2c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764080 651971901 /nfs/dbraw/zinc/97/19/01/651971901.db2.gz IGCMTVLBBGUDKQ-UHFFFAOYSA-N 2 2 396.333 2.019 20 0 GEADLP Cc1nc2ccc(Br)cn2c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764080 651971904 /nfs/dbraw/zinc/97/19/04/651971904.db2.gz IGCMTVLBBGUDKQ-UHFFFAOYSA-N 2 2 396.333 2.019 20 0 GEADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000746364242 652101308 /nfs/dbraw/zinc/10/13/08/652101308.db2.gz QVQIRCOCGYJRIP-HUUCEWRRSA-N 2 2 388.965 2.026 20 0 GEADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000746364242 652101309 /nfs/dbraw/zinc/10/13/09/652101309.db2.gz QVQIRCOCGYJRIP-HUUCEWRRSA-N 2 2 388.965 2.026 20 0 GEADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3c(F)cncc3Br)cn2)CC1 ZINC000657302979 652160418 /nfs/dbraw/zinc/16/04/18/652160418.db2.gz YRWCEEFCSSECFW-UHFFFAOYSA-N 2 2 394.292 2.420 20 0 GEADLP C[NH+](C)[C@H](CNC(=S)NCCC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000747657839 652173365 /nfs/dbraw/zinc/17/33/65/652173365.db2.gz AFWNGKDMKKESBN-QGZVFWFLSA-N 2 2 384.977 2.129 20 0 GEADLP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)ncc1Br ZINC000623523468 652244986 /nfs/dbraw/zinc/24/49/86/652244986.db2.gz YQCOUHHOTOYVAZ-VHRNVKJDSA-N 2 2 395.345 2.326 20 0 GEADLP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)ncc1Br ZINC000623523468 652244992 /nfs/dbraw/zinc/24/49/92/652244992.db2.gz YQCOUHHOTOYVAZ-VHRNVKJDSA-N 2 2 395.345 2.326 20 0 GEADLP O[C@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662154522 652449118 /nfs/dbraw/zinc/44/91/18/652449118.db2.gz GCGYVYDLTIYETA-GJZGRUSLSA-N 2 2 389.323 2.264 20 0 GEADLP O[C@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662154522 652449121 /nfs/dbraw/zinc/44/91/21/652449121.db2.gz GCGYVYDLTIYETA-GJZGRUSLSA-N 2 2 389.323 2.264 20 0 GEADLP C[NH2+][C@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(Cl)c1Cl ZINC000662491738 652464009 /nfs/dbraw/zinc/46/40/09/652464009.db2.gz MLAXQGRLNHLLRM-DYVFJYSZSA-N 2 2 386.323 2.435 20 0 GEADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662522235 652466201 /nfs/dbraw/zinc/46/62/01/652466201.db2.gz RDBAFZHETWAMQD-OAHLLOKOSA-N 2 2 384.318 2.018 20 0 GEADLP Cc1nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c(Br)c(C)[nH+]1 ZINC000663907398 652516202 /nfs/dbraw/zinc/51/62/02/652516202.db2.gz SHTSZEBXHKXAQB-AGUYFDCRSA-N 2 2 396.333 2.351 20 0 GEADLP Cc1nc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c(Br)c(C)[nH+]1 ZINC000663907398 652516204 /nfs/dbraw/zinc/51/62/04/652516204.db2.gz SHTSZEBXHKXAQB-AGUYFDCRSA-N 2 2 396.333 2.351 20 0 GEADLP CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000584377837 652518940 /nfs/dbraw/zinc/51/89/40/652518940.db2.gz HUKUAWAUNJUKIL-ZFWWWQNUSA-N 2 2 385.496 2.101 20 0 GEADLP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccncc2Br)c1 ZINC000631059993 652519469 /nfs/dbraw/zinc/51/94/69/652519469.db2.gz AZGMPARVSDSRGM-UHFFFAOYSA-N 2 2 391.313 2.425 20 0 GEADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCCOc3c(Br)cccc32)n1 ZINC000665291975 652550271 /nfs/dbraw/zinc/55/02/71/652550271.db2.gz PQKSKYRPNBBLIX-CYBMUJFWSA-N 2 2 379.258 2.407 20 0 GEADLP Cc1c(Br)cncc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000668687067 652659992 /nfs/dbraw/zinc/65/99/92/652659992.db2.gz GFUMCEXFGUIRHY-UHFFFAOYSA-N 2 2 383.334 2.251 20 0 GEADLP Cc1c(Br)cncc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000668687067 652659995 /nfs/dbraw/zinc/65/99/95/652659995.db2.gz GFUMCEXFGUIRHY-UHFFFAOYSA-N 2 2 383.334 2.251 20 0 GEADLP C[C@]1(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C[NH2+]CCO1 ZINC000638292477 652885446 /nfs/dbraw/zinc/88/54/46/652885446.db2.gz GEJTZFFAUZBRFC-GOSISDBHSA-N 2 2 386.323 2.453 20 0 GEADLP Brc1cnc2c(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)cnn2c1 ZINC000638669610 652902121 /nfs/dbraw/zinc/90/21/21/652902121.db2.gz UHBICYUVWCXMDB-ZDUSSCGKSA-N 2 2 394.317 2.082 20 0 GEADLP C[NH2+]CCOCC[N@H+](C)Cc1c(F)ccc(I)c1F ZINC000600778491 652933719 /nfs/dbraw/zinc/93/37/19/652933719.db2.gz ZYMSWUYWALOCMK-UHFFFAOYSA-N 2 2 384.208 2.237 20 0 GEADLP C[NH2+]CCOCC[N@@H+](C)Cc1c(F)ccc(I)c1F ZINC000600778491 652933726 /nfs/dbraw/zinc/93/37/26/652933726.db2.gz ZYMSWUYWALOCMK-UHFFFAOYSA-N 2 2 384.208 2.237 20 0 GEADLP Brc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000675886570 652946561 /nfs/dbraw/zinc/94/65/61/652946561.db2.gz SODHSYUVZAVZTL-PKOBYXMFSA-N 2 2 394.357 2.433 20 0 GEADLP Brc1sccc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786143 653233941 /nfs/dbraw/zinc/23/39/41/653233941.db2.gz ONDKEHMFXFMNGB-HNNXBMFYSA-N 2 2 388.375 2.397 20 0 GEADLP C[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)cn1 ZINC000641786426 653234018 /nfs/dbraw/zinc/23/40/18/653234018.db2.gz QJCUYYWKHOEPKR-NVXWUHKLSA-N 2 2 397.361 2.291 20 0 GEADLP Cn1nc(Br)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000785476361 653709806 /nfs/dbraw/zinc/70/98/06/653709806.db2.gz YCFUXLYOJJTDIF-RDJZCZTQSA-N 2 2 393.329 2.155 20 0 GEADLP Cn1nc(Br)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000785476361 653709808 /nfs/dbraw/zinc/70/98/08/653709808.db2.gz YCFUXLYOJJTDIF-RDJZCZTQSA-N 2 2 393.329 2.155 20 0 GEADLP C[NH+]1CCN(C(=O)CC[NH2+][C@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817576950 653714754 /nfs/dbraw/zinc/71/47/54/653714754.db2.gz AYBYGXJTNPJSNI-AWEZNQCLSA-N 2 2 387.347 2.110 20 0 GEADLP COc1ncc(Br)cc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000865495158 653766798 /nfs/dbraw/zinc/76/67/98/653766798.db2.gz JSKDPVOPPVCRQA-JKSUJKDBSA-N 2 2 384.318 2.320 20 0 GEADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000843089313 653778893 /nfs/dbraw/zinc/77/88/93/653778893.db2.gz QFFPVCJSIGTNQH-XJKSGUPXSA-N 2 2 375.282 2.058 20 0 GEADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000843089313 653778896 /nfs/dbraw/zinc/77/88/96/653778896.db2.gz QFFPVCJSIGTNQH-XJKSGUPXSA-N 2 2 375.282 2.058 20 0 GEADLP CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895294354 653826671 /nfs/dbraw/zinc/82/66/71/653826671.db2.gz UPPOSHJFJHLVBW-OLZOCXBDSA-N 2 2 386.334 2.392 20 0 GEADLP [NH3+]CCCCCC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000846217392 653891752 /nfs/dbraw/zinc/89/17/52/653891752.db2.gz GHDSGJMJYXKCGF-UHFFFAOYSA-N 2 2 377.913 2.305 20 0 GEADLP C[C@@H]1CCSCC[NH+]1CCS(=O)(=O)CC[N@H+]1CCSCC[C@@H]1C ZINC000794570826 653911859 /nfs/dbraw/zinc/91/18/59/653911859.db2.gz PMEPTSDHDHPAAR-IYBDPMFKSA-N 2 2 380.645 2.056 20 0 GEADLP C[C@@H]1CCSCC[NH+]1CCS(=O)(=O)CC[N@@H+]1CCSCC[C@@H]1C ZINC000794570826 653911862 /nfs/dbraw/zinc/91/18/62/653911862.db2.gz PMEPTSDHDHPAAR-IYBDPMFKSA-N 2 2 380.645 2.056 20 0 GEADLP C[C@@H]1CCSCC[N@H+]1CCS(=O)(=O)CC[NH+]1CCSCC[C@@H]1C ZINC000794570826 653911868 /nfs/dbraw/zinc/91/18/68/653911868.db2.gz PMEPTSDHDHPAAR-IYBDPMFKSA-N 2 2 380.645 2.056 20 0 GEADLP C[C@@H]1CCSCC[N@@H+]1CCS(=O)(=O)CC[NH+]1CCSCC[C@@H]1C ZINC000794570826 653911872 /nfs/dbraw/zinc/91/18/72/653911872.db2.gz PMEPTSDHDHPAAR-IYBDPMFKSA-N 2 2 380.645 2.056 20 0 GEADLP O=C1Nc2ncc(Br)cc2C[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000897979159 653948451 /nfs/dbraw/zinc/94/84/51/653948451.db2.gz XDMIBLYFJOTRCM-HNNXBMFYSA-N 2 2 379.302 2.171 20 0 GEADLP C[C@@H](CNC(=O)[C@@H]([NH3+])c1cccc(Br)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000867984231 654013003 /nfs/dbraw/zinc/01/30/03/654013003.db2.gz VNHXJOZRCWHNRE-JFILPPLUSA-N 2 2 384.318 2.063 20 0 GEADLP C[C@@H](CNC(=O)[C@@H]([NH3+])c1cccc(Br)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000867984231 654013008 /nfs/dbraw/zinc/01/30/08/654013008.db2.gz VNHXJOZRCWHNRE-JFILPPLUSA-N 2 2 384.318 2.063 20 0 GEADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870910014 654207299 /nfs/dbraw/zinc/20/72/99/654207299.db2.gz VGLIJQRROQQJGW-MRXNPFEDSA-N 2 2 398.345 2.266 20 0 GEADLP C[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000903755265 654282339 /nfs/dbraw/zinc/28/23/39/654282339.db2.gz DNNMPHLNWIPAMI-HZPDHXFCSA-N 2 2 396.329 2.066 20 0 GEADLP C[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000903755265 654282344 /nfs/dbraw/zinc/28/23/44/654282344.db2.gz DNNMPHLNWIPAMI-HZPDHXFCSA-N 2 2 396.329 2.066 20 0 GEADLP COc1cc(Cl)c(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1Cl ZINC000872255765 654320211 /nfs/dbraw/zinc/32/02/11/654320211.db2.gz MOUFXUNRGYYIHM-PEYYIBSZSA-N 2 2 386.279 2.369 20 0 GEADLP COc1cc(Cl)c(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1Cl ZINC000872255765 654320217 /nfs/dbraw/zinc/32/02/17/654320217.db2.gz MOUFXUNRGYYIHM-PEYYIBSZSA-N 2 2 386.279 2.369 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)NCC3([NH+](C)C)CC3)[nH+]c12 ZINC000921938946 654345134 /nfs/dbraw/zinc/34/51/34/654345134.db2.gz KZZAXIADCUMJOF-UHFFFAOYSA-N 2 2 394.317 2.341 20 0 GEADLP CCO[C@@H](C[NH2+]C[C@](C)(O)c1ccc(Br)cc1F)C[NH+](C)C ZINC000905580329 654367397 /nfs/dbraw/zinc/36/73/97/654367397.db2.gz OHIAFXAYLHEJKW-BBRMVZONSA-N 2 2 377.298 2.352 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(Cl)ncc1Br ZINC000855415400 654418062 /nfs/dbraw/zinc/41/80/62/654418062.db2.gz XKEWHWBBPAQZGS-UHFFFAOYSA-N 2 2 377.714 2.111 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(Cl)ncc1Br ZINC000855415400 654418068 /nfs/dbraw/zinc/41/80/68/654418068.db2.gz XKEWHWBBPAQZGS-UHFFFAOYSA-N 2 2 377.714 2.111 20 0 GEADLP Cn1ncc(I)c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000873277945 654423582 /nfs/dbraw/zinc/42/35/82/654423582.db2.gz XTIWMWRGJSLJKJ-MRVWCRGKSA-N 2 2 388.297 2.425 20 0 GEADLP O=C(c1c(Cl)cccc1Cl)N1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923310657 654443265 /nfs/dbraw/zinc/44/32/65/654443265.db2.gz WLRCHGMQYRJTBA-ZDUSSCGKSA-N 2 2 384.307 2.130 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000856830060 654496322 /nfs/dbraw/zinc/49/63/22/654496322.db2.gz DKDUHRMZAOMOTB-ZDUSSCGKSA-N 2 2 377.360 2.428 20 0 GEADLP O[C@@H](C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1(O)CCCC1 ZINC000930447266 654710522 /nfs/dbraw/zinc/71/05/22/654710522.db2.gz XJVOMXOENSZHBQ-HNNXBMFYSA-N 2 2 398.301 2.407 20 0 GEADLP O[C@@H](C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1(O)CCCC1 ZINC000930447266 654710523 /nfs/dbraw/zinc/71/05/23/654710523.db2.gz XJVOMXOENSZHBQ-HNNXBMFYSA-N 2 2 398.301 2.407 20 0 GEADLP Cc1nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)cc(C(C)C)[nH+]1 ZINC001164713486 720168562 /nfs/dbraw/zinc/16/85/62/720168562.db2.gz LDIPXXMUHVXELB-LJQANCHMSA-N 2 2 399.543 2.253 20 0 GEADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(N)cc(Cl)[nH+]2)CC1 ZINC001164825092 720311171 /nfs/dbraw/zinc/31/11/71/720311171.db2.gz SJGFCFMQAPQXEG-JKSUJKDBSA-N 2 2 377.920 2.229 20 0 GEADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(N)cc(Cl)[nH+]2)CC1 ZINC001164825088 720311352 /nfs/dbraw/zinc/31/13/52/720311352.db2.gz SJGFCFMQAPQXEG-HOTGVXAUSA-N 2 2 377.920 2.229 20 0 GEADLP Cc1nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c2c([nH+]1)CCC2 ZINC001164828479 720332549 /nfs/dbraw/zinc/33/25/49/720332549.db2.gz JTURGOYYIYKCJO-VQTJNVASSA-N 2 2 383.540 2.185 20 0 GEADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164830807 720333930 /nfs/dbraw/zinc/33/39/30/720333930.db2.gz PZQHEJLHFNMKNP-RTBURBONSA-N 2 2 399.539 2.260 20 0 GEADLP Cc1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164752622 720808913 /nfs/dbraw/zinc/80/89/13/720808913.db2.gz ZJXYFANKWNUNEB-FGTMMUONSA-N 2 2 392.511 2.237 20 0 GEADLP Cc1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164752622 720808915 /nfs/dbraw/zinc/80/89/15/720808915.db2.gz ZJXYFANKWNUNEB-FGTMMUONSA-N 2 2 392.511 2.237 20 0 GEADLP Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2c([nH+]1)CCC2 ZINC001164741236 720841728 /nfs/dbraw/zinc/84/17/28/720841728.db2.gz DUWAQMICUKBLTO-LVCYWYKZSA-N 2 2 393.539 2.245 20 0 GEADLP Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2c([nH+]1)CCC2 ZINC001164741236 720841730 /nfs/dbraw/zinc/84/17/30/720841730.db2.gz DUWAQMICUKBLTO-LVCYWYKZSA-N 2 2 393.539 2.245 20 0 GEADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)C[C@@H]3C2)cn1 ZINC001164761345 721191490 /nfs/dbraw/zinc/19/14/90/721191490.db2.gz AUMYVJAHVJBXRD-MOPGFXCFSA-N 2 2 381.528 2.159 20 0 GEADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)C[C@@H]3C2)cn1 ZINC001164761345 721191493 /nfs/dbraw/zinc/19/14/93/721191493.db2.gz AUMYVJAHVJBXRD-MOPGFXCFSA-N 2 2 381.528 2.159 20 0 GEADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)C[C@@H]3C2)cn1 ZINC001164761346 721192050 /nfs/dbraw/zinc/19/20/50/721192050.db2.gz AUMYVJAHVJBXRD-OALUTQOASA-N 2 2 381.528 2.159 20 0 GEADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)C[C@@H]3C2)cn1 ZINC001164761346 721192054 /nfs/dbraw/zinc/19/20/54/721192054.db2.gz AUMYVJAHVJBXRD-OALUTQOASA-N 2 2 381.528 2.159 20 0 GEADLP Cc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)cc(N(C)C)[nH+]1 ZINC001164803111 721531851 /nfs/dbraw/zinc/53/18/51/721531851.db2.gz IDTZKRDPYYLSAL-BBTUJRGHSA-N 2 2 382.512 2.114 20 0 GEADLP Cc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)cc(N(C)C)[nH+]1 ZINC001164803111 721531857 /nfs/dbraw/zinc/53/18/57/721531857.db2.gz IDTZKRDPYYLSAL-BBTUJRGHSA-N 2 2 382.512 2.114 20 0 GEADLP Cc1[nH+]c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cc2[nH]ccc21 ZINC001164916264 721792062 /nfs/dbraw/zinc/79/20/62/721792062.db2.gz PGDVZRKLWJQGOK-QFIPXVFZSA-N 2 2 393.491 2.374 20 0 GEADLP Cc1[nH+]c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cc2[nH]ccc21 ZINC001164916264 721792064 /nfs/dbraw/zinc/79/20/64/721792064.db2.gz PGDVZRKLWJQGOK-QFIPXVFZSA-N 2 2 393.491 2.374 20 0 GEADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccccc2Br)CC1 ZINC000174302629 532060232 /nfs/dbraw/zinc/06/02/32/532060232.db2.gz SJXWKCCDWPXXGQ-CYBMUJFWSA-N 2 2 384.318 2.477 20 0 GEADLP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)Nc1ccccc1Br ZINC000129678515 532181745 /nfs/dbraw/zinc/18/17/45/532181745.db2.gz ZLROJPZNSFCHJX-OAHLLOKOSA-N 2 2 396.329 2.432 20 0 GEADLP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)Nc1ccccc1Br ZINC000129678515 532181747 /nfs/dbraw/zinc/18/17/47/532181747.db2.gz ZLROJPZNSFCHJX-OAHLLOKOSA-N 2 2 396.329 2.432 20 0 GEADLP COc1cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc(Br)c1OC(F)F ZINC000131536862 532199019 /nfs/dbraw/zinc/19/90/19/532199019.db2.gz TYDPNFIBNYTPEI-HNNXBMFYSA-N 2 2 397.260 2.461 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131526026 532199396 /nfs/dbraw/zinc/19/93/96/532199396.db2.gz FIHGDLBFZIGLGN-RYUDHWBXSA-N 2 2 387.265 2.207 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131526026 532199399 /nfs/dbraw/zinc/19/93/99/532199399.db2.gz FIHGDLBFZIGLGN-RYUDHWBXSA-N 2 2 387.265 2.207 20 0 GEADLP COc1cc(Br)ccc1CCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000181546725 532301370 /nfs/dbraw/zinc/30/13/70/532301370.db2.gz RKOFKAWESWWUPF-UHFFFAOYSA-N 2 2 398.345 2.096 20 0 GEADLP C[N@H+](CC(=O)NCc1cn2cc(Br)ccc2[nH+]1)[C@@H]1CCSC1 ZINC000137728590 532290756 /nfs/dbraw/zinc/29/07/56/532290756.db2.gz BPDXMQOWJCGOII-CYBMUJFWSA-N 2 2 383.315 2.150 20 0 GEADLP C[N@@H+](CC(=O)NCc1cn2cc(Br)ccc2[nH+]1)[C@@H]1CCSC1 ZINC000137728590 532290761 /nfs/dbraw/zinc/29/07/61/532290761.db2.gz BPDXMQOWJCGOII-CYBMUJFWSA-N 2 2 383.315 2.150 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccc(Br)n3)CC2)CC1 ZINC000182605798 532315090 /nfs/dbraw/zinc/31/50/90/532315090.db2.gz RECJOAXBOYCUAR-UHFFFAOYSA-N 2 2 381.318 2.133 20 0 GEADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000647529354 532375330 /nfs/dbraw/zinc/37/53/30/532375330.db2.gz MOTQXMCKMAQGGD-KGLIPLIRSA-N 2 2 377.312 2.170 20 0 GEADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000647529354 532375332 /nfs/dbraw/zinc/37/53/32/532375332.db2.gz MOTQXMCKMAQGGD-KGLIPLIRSA-N 2 2 377.312 2.170 20 0 GEADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[NH+]1CCC(O)CC1 ZINC000294808317 532383770 /nfs/dbraw/zinc/38/37/70/532383770.db2.gz JCIGEACCSRSYLP-CYBMUJFWSA-N 2 2 384.318 2.213 20 0 GEADLP Fc1cc(Br)cc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000648452346 532399007 /nfs/dbraw/zinc/39/90/07/532399007.db2.gz YIBUKQXXKOJYNX-KRWDZBQOSA-N 2 2 386.309 2.084 20 0 GEADLP C[N@H+](CCn1cc(Br)cn1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681713242 532436710 /nfs/dbraw/zinc/43/67/10/532436710.db2.gz JSDQCCFOUGJPJH-GOSISDBHSA-N 2 2 393.329 2.214 20 0 GEADLP C[N@@H+](CCn1cc(Br)cn1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681713242 532436715 /nfs/dbraw/zinc/43/67/15/532436715.db2.gz JSDQCCFOUGJPJH-GOSISDBHSA-N 2 2 393.329 2.214 20 0 GEADLP C[NH+](CCn1cc(Br)cn1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000681713242 532436720 /nfs/dbraw/zinc/43/67/20/532436720.db2.gz JSDQCCFOUGJPJH-GOSISDBHSA-N 2 2 393.329 2.214 20 0 GEADLP C[NH+](CCn1cc(Br)cn1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000681713242 532436724 /nfs/dbraw/zinc/43/67/24/532436724.db2.gz JSDQCCFOUGJPJH-GOSISDBHSA-N 2 2 393.329 2.214 20 0 GEADLP C[NH+](C)CCN1CCN(c2[nH+]ccc3cc(Br)ccc32)CC1=O ZINC000651382911 532468511 /nfs/dbraw/zinc/46/85/11/532468511.db2.gz ZIINRGNWSZMRRA-UHFFFAOYSA-N 2 2 377.286 2.208 20 0 GEADLP CCOCCOc1ccc(Br)cc1C[NH2+]CC1([NH3+])CCOCC1 ZINC000629387819 532490534 /nfs/dbraw/zinc/49/05/34/532490534.db2.gz KRGHEWLXGITGNG-UHFFFAOYSA-N 2 2 387.318 2.462 20 0 GEADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000562984990 532493033 /nfs/dbraw/zinc/49/30/33/532493033.db2.gz NQMGWGVYCJIOHM-LSDHHAIUSA-N 2 2 377.312 2.434 20 0 GEADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000562984990 532493041 /nfs/dbraw/zinc/49/30/41/532493041.db2.gz NQMGWGVYCJIOHM-LSDHHAIUSA-N 2 2 377.312 2.434 20 0 GEADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2c3cccc(Br)c3CC2(C)C)CC1 ZINC000429377763 532475313 /nfs/dbraw/zinc/47/53/13/532475313.db2.gz NWRMFECKOGMONG-KRWDZBQOSA-N 2 2 380.330 2.436 20 0 GEADLP Cc1c(Br)cccc1C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374801585 532518879 /nfs/dbraw/zinc/51/88/79/532518879.db2.gz NZSBXPUREKHUIB-UHFFFAOYSA-N 2 2 383.330 2.417 20 0 GEADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]Cc2cccc(Br)c2OC(F)F)n1 ZINC000629654488 532498484 /nfs/dbraw/zinc/49/84/84/532498484.db2.gz XXMYNVZUHHGNRR-UHFFFAOYSA-N 2 2 389.200 2.295 20 0 GEADLP C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430606366 532501719 /nfs/dbraw/zinc/50/17/19/532501719.db2.gz VGZJPBQZXMQXQY-NWDGAFQWSA-N 2 2 387.265 2.289 20 0 GEADLP C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430606366 532501726 /nfs/dbraw/zinc/50/17/26/532501726.db2.gz VGZJPBQZXMQXQY-NWDGAFQWSA-N 2 2 387.265 2.289 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccnc(Br)c1 ZINC000296718676 532536498 /nfs/dbraw/zinc/53/64/98/532536498.db2.gz BMAUJPWZZFQOTL-UHFFFAOYSA-N 2 2 384.322 2.334 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccnc(Br)c1 ZINC000296718676 532536500 /nfs/dbraw/zinc/53/65/00/532536500.db2.gz BMAUJPWZZFQOTL-UHFFFAOYSA-N 2 2 384.322 2.334 20 0 GEADLP CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653058895 532528592 /nfs/dbraw/zinc/52/85/92/532528592.db2.gz LESRBTQVPPYZJN-CQSZACIVSA-N 2 2 389.327 2.450 20 0 GEADLP C[C@H](C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)C[NH+]1CCOCC1 ZINC000565358963 532558417 /nfs/dbraw/zinc/55/84/17/532558417.db2.gz LSNCWBAUBSEBSD-ZIAGYGMSSA-N 2 2 377.312 2.291 20 0 GEADLP COc1ncc(Br)cc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000595339761 532558452 /nfs/dbraw/zinc/55/84/52/532558452.db2.gz QQVCGFOCVSXNNH-KRWDZBQOSA-N 2 2 397.361 2.453 20 0 GEADLP COc1ncc(Br)cc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000595339761 532558458 /nfs/dbraw/zinc/55/84/58/532558458.db2.gz QQVCGFOCVSXNNH-KRWDZBQOSA-N 2 2 397.361 2.453 20 0 GEADLP O=C(NC[C@H]1CCC[N@@H+](Cc2ncc(Br)cc2F)C1)[C@H]1CCC[NH2+]1 ZINC000631822477 532563892 /nfs/dbraw/zinc/56/38/92/532563892.db2.gz FJVKHIDKJBYMPN-IUODEOHRSA-N 2 2 399.308 2.063 20 0 GEADLP O=C(NC[C@H]1CCC[N@H+](Cc2ncc(Br)cc2F)C1)[C@H]1CCC[NH2+]1 ZINC000631822477 532563897 /nfs/dbraw/zinc/56/38/97/532563897.db2.gz FJVKHIDKJBYMPN-IUODEOHRSA-N 2 2 399.308 2.063 20 0 GEADLP Clc1cccc(-n2cc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)nn2)c1Cl ZINC000262182732 532587553 /nfs/dbraw/zinc/58/75/53/532587553.db2.gz WXVAMIKLSWGSDP-AWEZNQCLSA-N 2 2 381.311 2.054 20 0 GEADLP Clc1cccc(-n2cc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)nn2)c1Cl ZINC000262182732 532587561 /nfs/dbraw/zinc/58/75/61/532587561.db2.gz WXVAMIKLSWGSDP-AWEZNQCLSA-N 2 2 381.311 2.054 20 0 GEADLP Cn1c[nH+]cc1CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000297980973 532615534 /nfs/dbraw/zinc/61/55/34/532615534.db2.gz XZCRETYAPACWPW-UHFFFAOYSA-N 2 2 388.946 2.074 20 0 GEADLP Cn1c[nH+]cc1CC[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000297980973 532615544 /nfs/dbraw/zinc/61/55/44/532615544.db2.gz XZCRETYAPACWPW-UHFFFAOYSA-N 2 2 388.946 2.074 20 0 GEADLP Brc1ccc(-n2cc(C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)cn2)cc1 ZINC000567159413 532642896 /nfs/dbraw/zinc/64/28/96/532642896.db2.gz YJCGNPCVADEITR-QZTJIDSGSA-N 2 2 391.313 2.491 20 0 GEADLP Cc1nn(C)c(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000377623385 532665723 /nfs/dbraw/zinc/66/57/23/532665723.db2.gz HZTWFNUAMGDAHV-OAHLLOKOSA-N 2 2 384.366 2.091 20 0 GEADLP Cc1nn(C)c(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000377623385 532665729 /nfs/dbraw/zinc/66/57/29/532665729.db2.gz HZTWFNUAMGDAHV-OAHLLOKOSA-N 2 2 384.366 2.091 20 0 GEADLP NS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000638177561 532683744 /nfs/dbraw/zinc/68/37/44/532683744.db2.gz BYVVXUVOLYAPFD-RHSMWYFYSA-N 2 2 383.945 2.436 20 0 GEADLP NS(=O)(=O)c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000638177561 532683753 /nfs/dbraw/zinc/68/37/53/532683753.db2.gz BYVVXUVOLYAPFD-RHSMWYFYSA-N 2 2 383.945 2.436 20 0 GEADLP NS(=O)(=O)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000638177561 532683757 /nfs/dbraw/zinc/68/37/57/532683757.db2.gz BYVVXUVOLYAPFD-RHSMWYFYSA-N 2 2 383.945 2.436 20 0 GEADLP NS(=O)(=O)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000638177561 532683762 /nfs/dbraw/zinc/68/37/62/532683762.db2.gz BYVVXUVOLYAPFD-RHSMWYFYSA-N 2 2 383.945 2.436 20 0 GEADLP C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000569257459 532693775 /nfs/dbraw/zinc/69/37/75/532693775.db2.gz YGWAHUPKVVCWAX-HNNXBMFYSA-N 2 2 398.345 2.060 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccc(Br)c3O)CC2)CC1 ZINC000538740644 532717107 /nfs/dbraw/zinc/71/71/07/532717107.db2.gz JHPMFKWRKLMUFS-UHFFFAOYSA-N 2 2 396.329 2.443 20 0 GEADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000675781889 532741189 /nfs/dbraw/zinc/74/11/89/532741189.db2.gz FWCMRYVTJGFKDC-OAHLLOKOSA-N 2 2 382.302 2.026 20 0 GEADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000675782730 532741229 /nfs/dbraw/zinc/74/12/29/532741229.db2.gz XTSJUQRFGQEESY-HNNXBMFYSA-N 2 2 382.302 2.026 20 0 GEADLP CN(C[C@@H](O)C[NH+]1CCOCC1)c1cc[nH+]c2c(Br)cccc12 ZINC000301534254 532753177 /nfs/dbraw/zinc/75/31/77/532753177.db2.gz ADVMLDUPCKWEMR-CYBMUJFWSA-N 2 2 380.286 2.127 20 0 GEADLP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccccc1Br ZINC000512241011 532776428 /nfs/dbraw/zinc/77/64/28/532776428.db2.gz JDIIJPNTLLNZMH-INIZCTEOSA-N 2 2 384.362 2.490 20 0 GEADLP Cc1cc(Br)cn2c(C[NH2+]C[C@@H]3CCCCS3(=O)=O)c[nH+]c12 ZINC000542483193 532773325 /nfs/dbraw/zinc/77/33/25/532773325.db2.gz LKIPQEKNVCKNNB-AWEZNQCLSA-N 2 2 386.315 2.462 20 0 GEADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCSC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000556665058 532811494 /nfs/dbraw/zinc/81/14/94/532811494.db2.gz UZOIRZZFCLCPQN-DZKIICNBSA-N 2 2 375.460 2.436 20 0 GEADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCSC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000556665058 532811498 /nfs/dbraw/zinc/81/14/98/532811498.db2.gz UZOIRZZFCLCPQN-DZKIICNBSA-N 2 2 375.460 2.436 20 0 GEADLP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CCSC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000556665059 532811782 /nfs/dbraw/zinc/81/17/82/532811782.db2.gz UZOIRZZFCLCPQN-LZWOXQAQSA-N 2 2 375.460 2.436 20 0 GEADLP CC[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CCSC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000556665059 532811783 /nfs/dbraw/zinc/81/17/83/532811783.db2.gz UZOIRZZFCLCPQN-LZWOXQAQSA-N 2 2 375.460 2.436 20 0 GEADLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414365180 532822351 /nfs/dbraw/zinc/82/23/51/532822351.db2.gz KGSOJMAZNKIFMA-UHFFFAOYSA-N 2 2 384.299 2.132 20 0 GEADLP COc1ccc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c(Br)c1O ZINC000415134297 532838676 /nfs/dbraw/zinc/83/86/76/532838676.db2.gz VXGJUHFNVACHKZ-ZDUSSCGKSA-N 2 2 396.289 2.051 20 0 GEADLP COc1ccc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c(Br)c1O ZINC000415134297 532838679 /nfs/dbraw/zinc/83/86/79/532838679.db2.gz VXGJUHFNVACHKZ-ZDUSSCGKSA-N 2 2 396.289 2.051 20 0 GEADLP COc1c(Br)cccc1C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000415127456 532838804 /nfs/dbraw/zinc/83/88/04/532838804.db2.gz NDZYQEXVSWVSHT-CQSZACIVSA-N 2 2 380.290 2.345 20 0 GEADLP COc1c(Br)cccc1C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000415127456 532838808 /nfs/dbraw/zinc/83/88/08/532838808.db2.gz NDZYQEXVSWVSHT-CQSZACIVSA-N 2 2 380.290 2.345 20 0 GEADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](CO)c2cccc(Br)c2)CC1 ZINC000274182523 532843650 /nfs/dbraw/zinc/84/36/50/532843650.db2.gz GCMNGBAJSXBNPE-QGZVFWFLSA-N 2 2 399.329 2.490 20 0 GEADLP [NH3+]C[C@H]1CCCCN1C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000333353364 532867482 /nfs/dbraw/zinc/86/74/82/532867482.db2.gz RSPHYPKUCQOZEQ-GFCCVEGCSA-N 2 2 398.305 2.026 20 0 GEADLP [NH3+]C1CCC(NC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CC1 ZINC000333362574 532867361 /nfs/dbraw/zinc/86/73/61/532867361.db2.gz TVNSCWLNRLIVPL-UHFFFAOYSA-N 2 2 398.305 2.072 20 0 GEADLP [NH3+][C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)c2ccccc21 ZINC000423098018 532893490 /nfs/dbraw/zinc/89/34/90/532893490.db2.gz JQDNBWVRKQVEKJ-HOTGVXAUSA-N 2 2 383.876 2.492 20 0 GEADLP Brc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000362632771 532896517 /nfs/dbraw/zinc/89/65/17/532896517.db2.gz BHKGWEHJVHKUSE-KXBFYZLASA-N 2 2 394.357 2.433 20 0 GEADLP C[C@H](c1ncc(Br)cn1)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367846869 532928152 /nfs/dbraw/zinc/92/81/52/532928152.db2.gz GODCYUIHRSJLON-CZUORRHYSA-N 2 2 382.350 2.400 20 0 GEADLP C[C@H](c1ncc(Br)cn1)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367846869 532928153 /nfs/dbraw/zinc/92/81/53/532928153.db2.gz GODCYUIHRSJLON-CZUORRHYSA-N 2 2 382.350 2.400 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(Br)ccc3F)C2)CC1 ZINC000369279764 532937764 /nfs/dbraw/zinc/93/77/64/532937764.db2.gz ZBQPFSDGYARNTB-CYBMUJFWSA-N 2 2 384.293 2.487 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(Br)ccc3F)C2)CC1 ZINC000369279764 532937765 /nfs/dbraw/zinc/93/77/65/532937765.db2.gz ZBQPFSDGYARNTB-CYBMUJFWSA-N 2 2 384.293 2.487 20 0 GEADLP C[NH+]1CCN(C[C@@H]2CCC[N@H+](C[C@H](O)c3cccc(Br)c3)C2)CC1 ZINC000371421920 532948010 /nfs/dbraw/zinc/94/80/10/532948010.db2.gz BOAHULIEIXOFHH-LPHOPBHVSA-N 2 2 396.373 2.442 20 0 GEADLP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](C[C@H](O)c3cccc(Br)c3)C2)CC1 ZINC000371421920 532948011 /nfs/dbraw/zinc/94/80/11/532948011.db2.gz BOAHULIEIXOFHH-LPHOPBHVSA-N 2 2 396.373 2.442 20 0 GEADLP CC(C)c1nnc(C[N@H+](C)C[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)o1 ZINC000487489937 570494263 /nfs/dbraw/zinc/49/42/63/570494263.db2.gz YWMIXDKBYCUOCM-KBPBESRZSA-N 2 2 377.468 2.098 20 0 GEADLP CC(C)c1nnc(C[N@@H+](C)C[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)o1 ZINC000487489937 570494265 /nfs/dbraw/zinc/49/42/65/570494265.db2.gz YWMIXDKBYCUOCM-KBPBESRZSA-N 2 2 377.468 2.098 20 0 GEADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736531911 599089248 /nfs/dbraw/zinc/08/92/48/599089248.db2.gz MJNAMJBSIPZEKY-IBGZPJMESA-N 2 2 393.495 2.025 20 0 GEADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736531913 599089366 /nfs/dbraw/zinc/08/93/66/599089366.db2.gz MJNAMJBSIPZEKY-LJQANCHMSA-N 2 2 393.495 2.025 20 0 GEADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NC[C@H](C(C)C)[NH+]3CCOCC3)c2c1 ZINC000737248474 599264272 /nfs/dbraw/zinc/26/42/72/599264272.db2.gz FZNRNCPNHILWJA-GOSISDBHSA-N 2 2 395.511 2.222 20 0 GEADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000737497903 598355369 /nfs/dbraw/zinc/35/53/69/598355369.db2.gz AGNLUJBSYXYNST-ZDUSSCGKSA-N 2 2 386.485 2.099 20 0 GEADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000737497903 598355371 /nfs/dbraw/zinc/35/53/71/598355371.db2.gz AGNLUJBSYXYNST-ZDUSSCGKSA-N 2 2 386.485 2.099 20 0 GEADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000737497901 598356079 /nfs/dbraw/zinc/35/60/79/598356079.db2.gz AGNLUJBSYXYNST-CYBMUJFWSA-N 2 2 386.485 2.099 20 0 GEADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000737497901 598356080 /nfs/dbraw/zinc/35/60/80/598356080.db2.gz AGNLUJBSYXYNST-CYBMUJFWSA-N 2 2 386.485 2.099 20 0 GEADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737503351 598356503 /nfs/dbraw/zinc/35/65/03/598356503.db2.gz URNMQAGQDOXLGU-UKRRQHHQSA-N 2 2 380.456 2.036 20 0 GEADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737503351 598356505 /nfs/dbraw/zinc/35/65/05/598356505.db2.gz URNMQAGQDOXLGU-UKRRQHHQSA-N 2 2 380.456 2.036 20 0 GEADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737503350 598356767 /nfs/dbraw/zinc/35/67/67/598356767.db2.gz URNMQAGQDOXLGU-HIFRSBDPSA-N 2 2 380.456 2.036 20 0 GEADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737503350 598356768 /nfs/dbraw/zinc/35/67/68/598356768.db2.gz URNMQAGQDOXLGU-HIFRSBDPSA-N 2 2 380.456 2.036 20 0 GEADLP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)nc[nH+]1 ZINC000736887240 599318097 /nfs/dbraw/zinc/31/80/97/599318097.db2.gz LURVPECSPODHID-BBRMVZONSA-N 2 2 379.472 2.018 20 0 GEADLP c1cc(-c2nn[nH]n2)sc1C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000823786983 606408442 /nfs/dbraw/zinc/40/84/42/606408442.db2.gz GNYSQVNNHYESGL-UHFFFAOYSA-N 2 2 383.525 2.230 20 0 GEADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)c2ccccc2)CC1 ZINC000821627073 606416775 /nfs/dbraw/zinc/41/67/75/606416775.db2.gz MDKHWUHSUSMWSO-KRWDZBQOSA-N 2 2 383.525 2.007 20 0 GEADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)CC[C@@H]21 ZINC000821625916 607073409 /nfs/dbraw/zinc/07/34/09/607073409.db2.gz YKPXZMKJGRESQY-ZFWWWQNUSA-N 2 2 378.427 2.384 20 0 GEADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)CC[C@@H]21 ZINC000821625916 607073410 /nfs/dbraw/zinc/07/34/10/607073410.db2.gz YKPXZMKJGRESQY-ZFWWWQNUSA-N 2 2 378.427 2.384 20 0 GEADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)CC[C@@H]21 ZINC000821625916 607073412 /nfs/dbraw/zinc/07/34/12/607073412.db2.gz YKPXZMKJGRESQY-ZFWWWQNUSA-N 2 2 378.427 2.384 20 0 GEADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)CC[C@@H]21 ZINC000821625916 607073413 /nfs/dbraw/zinc/07/34/13/607073413.db2.gz YKPXZMKJGRESQY-ZFWWWQNUSA-N 2 2 378.427 2.384 20 0 GEADLP Cc1cccc2c(NCCCC[NH+]3C[C@H](C)O[C@@H](C)C3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822335205 607174127 /nfs/dbraw/zinc/17/41/27/607174127.db2.gz JAHWYXUYEUSZRB-HOTGVXAUSA-N 2 2 395.511 2.447 20 0 GEADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824991916 608281272 /nfs/dbraw/zinc/28/12/72/608281272.db2.gz IEQWHDFGEMMGMA-OXQOHEQNSA-N 2 2 393.495 2.141 20 0 GEADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824991916 608281274 /nfs/dbraw/zinc/28/12/74/608281274.db2.gz IEQWHDFGEMMGMA-OXQOHEQNSA-N 2 2 393.495 2.141 20 0 GEADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824991545 608284349 /nfs/dbraw/zinc/28/43/49/608284349.db2.gz CEHFJIUUPZELJD-AUUYWEPGSA-N 2 2 381.459 2.401 20 0 GEADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824991545 608284350 /nfs/dbraw/zinc/28/43/50/608284350.db2.gz CEHFJIUUPZELJD-AUUYWEPGSA-N 2 2 381.459 2.401 20 0 GEADLP Cc1nn(-c2ccccc2)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1-c1nn[nH]n1 ZINC000826332411 608315787 /nfs/dbraw/zinc/31/57/87/608315787.db2.gz SYNVWCRLLACJMI-UHFFFAOYSA-N 2 2 389.467 2.464 20 0 GEADLP C[N@H+](CCN1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1)Cc1ccccc1 ZINC000825937353 608682257 /nfs/dbraw/zinc/68/22/57/608682257.db2.gz ANBVKBVMSXGRQS-UHFFFAOYSA-N 2 2 397.552 2.178 20 0 GEADLP C[N@@H+](CCN1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1)Cc1ccccc1 ZINC000825937353 608682259 /nfs/dbraw/zinc/68/22/59/608682259.db2.gz ANBVKBVMSXGRQS-UHFFFAOYSA-N 2 2 397.552 2.178 20 0 GEADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000824093714 609166709 /nfs/dbraw/zinc/16/67/09/609166709.db2.gz LDSNONVNBJONBU-SFHVURJKSA-N 2 2 397.527 2.215 20 0 GEADLP Cn1cc(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361298 609341959 /nfs/dbraw/zinc/34/19/59/609341959.db2.gz SAUXBRFOGLWFGR-INIZCTEOSA-N 2 2 389.467 2.131 20 0 GEADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824545584 609343558 /nfs/dbraw/zinc/34/35/58/609343558.db2.gz DDGIKPRZNMKKQR-MJXNMMHHSA-N 2 2 388.491 2.424 20 0 GEADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 ZINC000826513611 609367393 /nfs/dbraw/zinc/36/73/93/609367393.db2.gz QHEVUSBMTBNAKA-XUVXKRRUSA-N 2 2 394.523 2.378 20 0 GEADLP C[NH+](C)CC(=O)N1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000450245441 650062886 /nfs/dbraw/zinc/06/28/86/650062886.db2.gz XNXKXYMEMAMYHP-UHFFFAOYSA-N 2 2 395.276 2.347 20 0 GEADLP C[NH+](C)C1CC[NH+](CCNc2ncnc3cc(Br)ccc32)CC1 ZINC000450368410 650064374 /nfs/dbraw/zinc/06/43/74/650064374.db2.gz GQDCDFYGZWSOOQ-UHFFFAOYSA-N 2 2 378.318 2.830 20 0 GEADLP Cc1ccc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c(Br)c1 ZINC000450644036 650068628 /nfs/dbraw/zinc/06/86/28/650068628.db2.gz ADZOJFXMWKNXSC-UHFFFAOYSA-N 2 2 383.330 2.417 20 0 GEADLP O=S(=O)(NCC[NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1Cl ZINC000459547314 650428419 /nfs/dbraw/zinc/42/84/19/650428419.db2.gz VIQDKGQFWBKGAO-UHFFFAOYSA-N 2 2 392.352 2.488 20 0 GEADLP Cn1cc[nH+]c1N1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000476438455 650549695 /nfs/dbraw/zinc/54/96/95/650549695.db2.gz ULHFATXKVYENDV-UHFFFAOYSA-N 2 2 392.301 2.333 20 0 GEADLP COc1c(Br)cccc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000479557206 650606500 /nfs/dbraw/zinc/60/65/00/650606500.db2.gz SRYSFXWSLVKQBL-INIZCTEOSA-N 2 2 398.345 2.490 20 0 GEADLP COc1c(Br)cccc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000479557206 650606502 /nfs/dbraw/zinc/60/65/02/650606502.db2.gz SRYSFXWSLVKQBL-INIZCTEOSA-N 2 2 398.345 2.490 20 0 GEADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000519608405 650609331 /nfs/dbraw/zinc/60/93/31/650609331.db2.gz NFQSWQFIVWRAIM-LSDHHAIUSA-N 2 2 377.312 2.170 20 0 GEADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000519608405 650609333 /nfs/dbraw/zinc/60/93/33/650609333.db2.gz NFQSWQFIVWRAIM-LSDHHAIUSA-N 2 2 377.312 2.170 20 0 GEADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000481741666 650652024 /nfs/dbraw/zinc/65/20/24/650652024.db2.gz XGLPOYWSGMSTNU-QGZVFWFLSA-N 2 2 384.293 2.403 20 0 GEADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(I)cc1 ZINC000489794784 650763473 /nfs/dbraw/zinc/76/34/73/650763473.db2.gz HJLHYHRNSODZBY-AWEZNQCLSA-N 2 2 387.265 2.433 20 0 GEADLP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(I)cc1 ZINC000489794784 650763485 /nfs/dbraw/zinc/76/34/85/650763485.db2.gz HJLHYHRNSODZBY-AWEZNQCLSA-N 2 2 387.265 2.433 20 0 GEADLP C[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCSCC2)[C@H]1c1ccc(Cl)cc1 ZINC000535505346 650787957 /nfs/dbraw/zinc/78/79/57/650787957.db2.gz ZTQYLKIHMMKXQP-IAGOWNOFSA-N 2 2 382.961 2.433 20 0 GEADLP C[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCSCC2)[C@H]1c1ccc(Cl)cc1 ZINC000535505346 650787959 /nfs/dbraw/zinc/78/79/59/650787959.db2.gz ZTQYLKIHMMKXQP-IAGOWNOFSA-N 2 2 382.961 2.433 20 0 GEADLP C[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCSCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000535505348 650788002 /nfs/dbraw/zinc/78/80/02/650788002.db2.gz ZTQYLKIHMMKXQP-SJORKVTESA-N 2 2 382.961 2.433 20 0 GEADLP C[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCSCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000535505348 650788007 /nfs/dbraw/zinc/78/80/07/650788007.db2.gz ZTQYLKIHMMKXQP-SJORKVTESA-N 2 2 382.961 2.433 20 0 GEADLP Brc1ccc(-n2cc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)cn2)cc1 ZINC000491314386 650785265 /nfs/dbraw/zinc/78/52/65/650785265.db2.gz CWZWVKGUSXSMBS-SFHVURJKSA-N 2 2 390.329 2.114 20 0 GEADLP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@H](O)c3cccc(Br)c3)C2)CC1 ZINC000107371695 643255468 /nfs/dbraw/zinc/25/54/68/643255468.db2.gz JHWOPNXRZAWHJB-ROUUACIJSA-N 2 2 382.346 2.194 20 0 GEADLP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](O)c3cccc(Br)c3)C2)CC1 ZINC000107371695 643255474 /nfs/dbraw/zinc/25/54/74/643255474.db2.gz JHWOPNXRZAWHJB-ROUUACIJSA-N 2 2 382.346 2.194 20 0 GEADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000227907505 645394469 /nfs/dbraw/zinc/39/44/69/645394469.db2.gz IXXNCCGQCAEXRH-VIFPVBQESA-N 2 2 380.739 2.451 20 0 GEADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000227907505 645394474 /nfs/dbraw/zinc/39/44/74/645394474.db2.gz IXXNCCGQCAEXRH-VIFPVBQESA-N 2 2 380.739 2.451 20 0 GEADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280758748 646713674 /nfs/dbraw/zinc/71/36/74/646713674.db2.gz QMSAZLIQUFOZDC-MNOVXSKESA-N 2 2 378.336 2.087 20 0 GEADLP O[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)COc1c(Cl)cccc1Cl ZINC000325857363 647304043 /nfs/dbraw/zinc/30/40/43/647304043.db2.gz WYDPWRHPAMTZEJ-MJBXVCDLSA-N 2 2 375.296 2.186 20 0 GEADLP O[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)COc1c(Cl)cccc1Cl ZINC000325857363 647304045 /nfs/dbraw/zinc/30/40/45/647304045.db2.gz WYDPWRHPAMTZEJ-MJBXVCDLSA-N 2 2 375.296 2.186 20 0 GEADLP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1cccc(Br)c1 ZINC000410235807 648001449 /nfs/dbraw/zinc/00/14/49/648001449.db2.gz AEOVBJSJLSQOKX-MRXNPFEDSA-N 2 2 384.362 2.490 20 0 GEADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc(S(C)(=O)=O)s3)[nH+]c2)C1 ZINC000414286879 648090201 /nfs/dbraw/zinc/09/02/01/648090201.db2.gz DDIHDZHHIPESMW-CQSZACIVSA-N 2 2 380.539 2.299 20 0 GEADLP C[C@H]([NH3+])[C@H](C)NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000418720498 648308375 /nfs/dbraw/zinc/30/83/75/648308375.db2.gz JXLSTXSBVQKCDE-RYUDHWBXSA-N 2 2 384.278 2.186 20 0 GEADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cncc(Br)c3)CC2)CC1 ZINC000422006580 648517576 /nfs/dbraw/zinc/51/75/76/648517576.db2.gz MAGZGTPMTUIPNT-UHFFFAOYSA-N 2 2 395.345 2.476 20 0 GEADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cncc(Br)c3)CC2)CC1 ZINC000422006580 648517581 /nfs/dbraw/zinc/51/75/81/648517581.db2.gz MAGZGTPMTUIPNT-UHFFFAOYSA-N 2 2 395.345 2.476 20 0 GEADLP CC(C)(C[NH2+][C@H]1CCC[C@@H]1[NH3+])S(=O)(=O)c1ccc(Br)cc1 ZINC000422768759 648575323 /nfs/dbraw/zinc/57/53/23/648575323.db2.gz UWHNGSTWFIPSFY-KBPBESRZSA-N 2 2 375.332 2.471 20 0 GEADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000423153505 648585000 /nfs/dbraw/zinc/58/50/00/648585000.db2.gz HLSUVNQWUUQHEU-YUELXQCFSA-N 2 2 389.309 2.096 20 0 GEADLP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000423163925 648585578 /nfs/dbraw/zinc/58/55/78/648585578.db2.gz RUTFGXWFDPFTTE-KMFMINBZSA-N 2 2 385.346 2.265 20 0 GEADLP COCC[NH2+]CC[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000423336605 648589610 /nfs/dbraw/zinc/58/96/10/648589610.db2.gz QNLJEKQSOZBQOL-CYBMUJFWSA-N 2 2 376.282 2.438 20 0 GEADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)s1 ZINC000425424066 648675907 /nfs/dbraw/zinc/67/59/07/648675907.db2.gz RMEANDKOABCXAB-AWEZNQCLSA-N 2 2 382.555 2.187 20 0 GEADLP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)s1 ZINC000425424066 648675908 /nfs/dbraw/zinc/67/59/08/648675908.db2.gz RMEANDKOABCXAB-AWEZNQCLSA-N 2 2 382.555 2.187 20 0 GEADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000430561724 648763447 /nfs/dbraw/zinc/76/34/47/648763447.db2.gz ODYJFEZMLSMEIO-UHFFFAOYSA-N 2 2 386.334 2.203 20 0 GEADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430561724 648763450 /nfs/dbraw/zinc/76/34/50/648763450.db2.gz ODYJFEZMLSMEIO-UHFFFAOYSA-N 2 2 386.334 2.203 20 0 GEADLP C[N@@H+]1CCC[C@@H]1C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000552807062 651158508 /nfs/dbraw/zinc/15/85/08/651158508.db2.gz SWPMJIQAPAJXAS-CQSZACIVSA-N 2 2 381.274 2.362 20 0 GEADLP C[N@H+]1CCC[C@@H]1C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000552807062 651158511 /nfs/dbraw/zinc/15/85/11/651158511.db2.gz SWPMJIQAPAJXAS-CQSZACIVSA-N 2 2 381.274 2.362 20 0 GEADLP O=C(CC[NH2+]C[C@@H]1CCC[N@H+]1CCCO)Nc1ccc(Br)cc1 ZINC000563137162 651511400 /nfs/dbraw/zinc/51/14/00/651511400.db2.gz AIUSLWUJTNVLBT-INIZCTEOSA-N 2 2 384.318 2.214 20 0 GEADLP O=C(CC[NH2+]C[C@@H]1CCC[N@@H+]1CCCO)Nc1ccc(Br)cc1 ZINC000563137162 651511410 /nfs/dbraw/zinc/51/14/10/651511410.db2.gz AIUSLWUJTNVLBT-INIZCTEOSA-N 2 2 384.318 2.214 20 0 GEADLP COc1ccc(Br)cc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000607649783 651576143 /nfs/dbraw/zinc/57/61/43/651576143.db2.gz SJOIVDURTSHUFI-CQSZACIVSA-N 2 2 396.329 2.356 20 0 GEADLP COc1ccc(Br)cc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000607649783 651576151 /nfs/dbraw/zinc/57/61/51/651576151.db2.gz SJOIVDURTSHUFI-CQSZACIVSA-N 2 2 396.329 2.356 20 0 GEADLP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(Br)cc1 ZINC000608373823 651595116 /nfs/dbraw/zinc/59/51/16/651595116.db2.gz IIZITNHHWRQVAL-MRXNPFEDSA-N 2 2 384.362 2.490 20 0 GEADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3nc(SC)ns3)CC2)CC1 ZINC000565651017 651595986 /nfs/dbraw/zinc/59/59/86/651595986.db2.gz YREFFHLKMNLCPS-UHFFFAOYSA-N 2 2 384.575 2.284 20 0 GEADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3nc(SC)ns3)CC2)CC1 ZINC000565651017 651595991 /nfs/dbraw/zinc/59/59/91/651595991.db2.gz YREFFHLKMNLCPS-UHFFFAOYSA-N 2 2 384.575 2.284 20 0 GEADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000568162154 651653361 /nfs/dbraw/zinc/65/33/61/651653361.db2.gz PEWYGQNXYBAGAY-UKRRQHHQSA-N 2 2 384.318 2.098 20 0 GEADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000568162154 651653364 /nfs/dbraw/zinc/65/33/64/651653364.db2.gz PEWYGQNXYBAGAY-UKRRQHHQSA-N 2 2 384.318 2.098 20 0 GEADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1Cc1ccccc1Br ZINC000568649986 651674295 /nfs/dbraw/zinc/67/42/95/651674295.db2.gz QHFNLAMROZHOTH-IRXDYDNUSA-N 2 2 385.346 2.395 20 0 GEADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1Cc1ccccc1Br ZINC000568649986 651674302 /nfs/dbraw/zinc/67/43/02/651674302.db2.gz QHFNLAMROZHOTH-IRXDYDNUSA-N 2 2 385.346 2.395 20 0 GEADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000568649986 651674306 /nfs/dbraw/zinc/67/43/06/651674306.db2.gz QHFNLAMROZHOTH-IRXDYDNUSA-N 2 2 385.346 2.395 20 0 GEADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000568649986 651674311 /nfs/dbraw/zinc/67/43/11/651674311.db2.gz QHFNLAMROZHOTH-IRXDYDNUSA-N 2 2 385.346 2.395 20 0 GEADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCO1 ZINC000646854018 651724233 /nfs/dbraw/zinc/72/42/33/651724233.db2.gz OUYJRVBFUYEDDQ-JQFCIGGWSA-N 2 2 396.329 2.161 20 0 GEADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000647492640 651748580 /nfs/dbraw/zinc/74/85/80/651748580.db2.gz PFIWSXJGVWLDJJ-UHFFFAOYSA-N 2 2 378.318 2.176 20 0 GEADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000647492640 651748586 /nfs/dbraw/zinc/74/85/86/651748586.db2.gz PFIWSXJGVWLDJJ-UHFFFAOYSA-N 2 2 378.318 2.176 20 0 GEADLP C[C@@H]1[C@@H](C)[S@@](=O)CC[NH+]1CCCCCC[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000736628843 651829152 /nfs/dbraw/zinc/82/91/52/651829152.db2.gz KUHCYUPNKYHSHN-USCLWYGUSA-N 2 2 376.632 2.229 20 0 GEADLP C[C@@H]1[C@@H](C)[S@@](=O)CC[NH+]1CCCCCC[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000736628843 651829155 /nfs/dbraw/zinc/82/91/55/651829155.db2.gz KUHCYUPNKYHSHN-USCLWYGUSA-N 2 2 376.632 2.229 20 0 GEADLP C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCCCCC[NH+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000736628843 651829157 /nfs/dbraw/zinc/82/91/57/651829157.db2.gz KUHCYUPNKYHSHN-USCLWYGUSA-N 2 2 376.632 2.229 20 0 GEADLP C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCCCCC[NH+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000736628843 651829159 /nfs/dbraw/zinc/82/91/59/651829159.db2.gz KUHCYUPNKYHSHN-USCLWYGUSA-N 2 2 376.632 2.229 20 0 GEADLP C[C@@H]1[C@H](O)CC[NH+]1Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](O)[C@H]1C ZINC000650191037 651845045 /nfs/dbraw/zinc/84/50/45/651845045.db2.gz UONCSQYQGWBZNH-XHSVMWQWSA-N 2 2 383.330 2.359 20 0 GEADLP C[C@@H]1[C@H](O)CC[NH+]1Cc1ccc(Br)cc1C[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000650191037 651845051 /nfs/dbraw/zinc/84/50/51/651845051.db2.gz UONCSQYQGWBZNH-XHSVMWQWSA-N 2 2 383.330 2.359 20 0 GEADLP C[C@@H]1[C@H](O)CC[NH+]1Cc1ccc(Br)cc1C[N@H+]1CC[C@@H](O)[C@H]1C ZINC000650191037 651845052 /nfs/dbraw/zinc/84/50/52/651845052.db2.gz UONCSQYQGWBZNH-XHSVMWQWSA-N 2 2 383.330 2.359 20 0 GEADLP C[NH+]1CCN(c2cc[nH+]cc2NS(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000650451146 651858726 /nfs/dbraw/zinc/85/87/26/651858726.db2.gz MKVNHYNKAXMGCX-UHFFFAOYSA-N 2 2 380.901 2.429 20 0 GEADLP Cn1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(-c2ccc(Cl)s2)n1 ZINC000617765087 651971979 /nfs/dbraw/zinc/97/19/79/651971979.db2.gz SYRGJJLRBCCLIR-UHFFFAOYSA-N 2 2 383.949 2.415 20 0 GEADLP Cn1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(-c2ccc(Cl)s2)n1 ZINC000617765087 651971986 /nfs/dbraw/zinc/97/19/86/651971986.db2.gz SYRGJJLRBCCLIR-UHFFFAOYSA-N 2 2 383.949 2.415 20 0 GEADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000655751733 652009715 /nfs/dbraw/zinc/00/97/15/652009715.db2.gz DQQRYPKVBRAIHR-QGZVFWFLSA-N 2 2 381.318 2.345 20 0 GEADLP [NH3+]C[C@@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)C1CCCCC1 ZINC000574863761 652047920 /nfs/dbraw/zinc/04/79/20/652047920.db2.gz ODPZAHAAOBFWCO-OAHLLOKOSA-N 2 2 379.302 2.454 20 0 GEADLP O=c1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)nc2ccc(Br)cn12 ZINC000574989795 652056878 /nfs/dbraw/zinc/05/68/78/652056878.db2.gz NPTULHPXPUGGJS-KRWDZBQOSA-N 2 2 377.286 2.033 20 0 GEADLP O=c1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)nc2ccc(Br)cn12 ZINC000574989795 652056883 /nfs/dbraw/zinc/05/68/83/652056883.db2.gz NPTULHPXPUGGJS-KRWDZBQOSA-N 2 2 377.286 2.033 20 0 GEADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000746364236 652101353 /nfs/dbraw/zinc/10/13/53/652101353.db2.gz QVQIRCOCGYJRIP-CABCVRRESA-N 2 2 388.965 2.026 20 0 GEADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000746364236 652101356 /nfs/dbraw/zinc/10/13/56/652101356.db2.gz QVQIRCOCGYJRIP-CABCVRRESA-N 2 2 388.965 2.026 20 0 GEADLP C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000576823915 652146343 /nfs/dbraw/zinc/14/63/43/652146343.db2.gz XLHLTNFCAFNLAK-VXGBXAGGSA-N 2 2 387.265 2.289 20 0 GEADLP C[C@H](C(=O)Nc1cccc(I)c1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000576823915 652146348 /nfs/dbraw/zinc/14/63/48/652146348.db2.gz XLHLTNFCAFNLAK-VXGBXAGGSA-N 2 2 387.265 2.289 20 0 GEADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000658333974 652254343 /nfs/dbraw/zinc/25/43/43/652254343.db2.gz XUONORVZSFRJDU-LBPRGKRZSA-N 2 2 389.327 2.320 20 0 GEADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000658333974 652254355 /nfs/dbraw/zinc/25/43/55/652254355.db2.gz XUONORVZSFRJDU-LBPRGKRZSA-N 2 2 389.327 2.320 20 0 GEADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cncc(Br)c1 ZINC000580581571 652384758 /nfs/dbraw/zinc/38/47/58/652384758.db2.gz JOFDSLCXRCILKX-CZUORRHYSA-N 2 2 383.334 2.437 20 0 GEADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cncc(Br)c1 ZINC000580581571 652384760 /nfs/dbraw/zinc/38/47/60/652384760.db2.gz JOFDSLCXRCILKX-CZUORRHYSA-N 2 2 383.334 2.437 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CC[C@@H](C)[NH2+]C3)[nH+]c12 ZINC000627012753 652411962 /nfs/dbraw/zinc/41/19/62/652411962.db2.gz DWKFTNZDTGTXRU-OCCSQVGLSA-N 2 2 394.317 2.387 20 0 GEADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000582308976 652444879 /nfs/dbraw/zinc/44/48/79/652444879.db2.gz FOOXVAGQIBJDCK-DOMZBBRYSA-N 2 2 380.286 2.012 20 0 GEADLP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000582308976 652444882 /nfs/dbraw/zinc/44/48/82/652444882.db2.gz FOOXVAGQIBJDCK-DOMZBBRYSA-N 2 2 380.286 2.012 20 0 GEADLP O=C(c1cc(Cl)cc(Cl)c1)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662248916 652454203 /nfs/dbraw/zinc/45/42/03/652454203.db2.gz LWOSJBURQZQWDW-MRXNPFEDSA-N 2 2 384.307 2.272 20 0 GEADLP O=C(c1c(Cl)cccc1Cl)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662253221 652454255 /nfs/dbraw/zinc/45/42/55/652454255.db2.gz UGIMFVOTWYFBDW-ZDUSSCGKSA-N 2 2 384.307 2.272 20 0 GEADLP C[NH2+][C@H](C(=O)NCCCC[NH+]1CCN(C)CC1)c1cccc(Cl)c1Cl ZINC000662383632 652458229 /nfs/dbraw/zinc/45/82/29/652458229.db2.gz NHXXTMIJAMCNOR-KRWDZBQOSA-N 2 2 387.355 2.398 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1cc(F)ccc1Br ZINC000663757347 652511329 /nfs/dbraw/zinc/51/13/29/652511329.db2.gz XIVZQJXFNJTWFQ-UHFFFAOYSA-N 2 2 389.313 2.271 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1cc(F)ccc1Br ZINC000663757347 652511334 /nfs/dbraw/zinc/51/13/34/652511334.db2.gz XIVZQJXFNJTWFQ-UHFFFAOYSA-N 2 2 389.313 2.271 20 0 GEADLP CN(C(=O)c1ccnc(Br)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000758224384 652534281 /nfs/dbraw/zinc/53/42/81/652534281.db2.gz BCCZQSVAKQHRHP-OAHLLOKOSA-N 2 2 381.318 2.085 20 0 GEADLP CN(C(=O)c1ccnc(Br)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000758224384 652534283 /nfs/dbraw/zinc/53/42/83/652534283.db2.gz BCCZQSVAKQHRHP-OAHLLOKOSA-N 2 2 381.318 2.085 20 0 GEADLP Cc1ccc(Br)cc1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664722323 652536885 /nfs/dbraw/zinc/53/68/85/652536885.db2.gz LIYINHUKQHUMOH-UHFFFAOYSA-N 2 2 385.350 2.440 20 0 GEADLP Cc1ccc(Br)cc1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664722323 652536887 /nfs/dbraw/zinc/53/68/87/652536887.db2.gz LIYINHUKQHUMOH-UHFFFAOYSA-N 2 2 385.350 2.440 20 0 GEADLP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000665246417 652549365 /nfs/dbraw/zinc/54/93/65/652549365.db2.gz FIHANKXEEVAHFX-JTQLQIEISA-N 2 2 376.320 2.019 20 0 GEADLP Cc1nc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(Br)s1 ZINC000665295131 652550635 /nfs/dbraw/zinc/55/06/35/652550635.db2.gz QALQTSBNNWSWQE-LLVKDONJSA-N 2 2 387.347 2.112 20 0 GEADLP Cc1nc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(Br)s1 ZINC000665295131 652550638 /nfs/dbraw/zinc/55/06/38/652550638.db2.gz QALQTSBNNWSWQE-LLVKDONJSA-N 2 2 387.347 2.112 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3ccc(Br)cc3F)C2)CC1 ZINC000668640271 652655526 /nfs/dbraw/zinc/65/55/26/652655526.db2.gz QRIQGZZGRHRMEI-HNNXBMFYSA-N 2 2 398.320 2.415 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3ccc(Br)cc3F)C2)CC1 ZINC000668640271 652655529 /nfs/dbraw/zinc/65/55/29/652655529.db2.gz QRIQGZZGRHRMEI-HNNXBMFYSA-N 2 2 398.320 2.415 20 0 GEADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc(Br)ncc1F ZINC000762744685 652716646 /nfs/dbraw/zinc/71/66/46/652716646.db2.gz FJBKZXUIWHIWRZ-NEPJUHHUSA-N 2 2 387.297 2.221 20 0 GEADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cc(Br)ncc1F ZINC000762744685 652716652 /nfs/dbraw/zinc/71/66/52/652716652.db2.gz FJBKZXUIWHIWRZ-NEPJUHHUSA-N 2 2 387.297 2.221 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)C[C@H]3CC[N@@H+](C)C3)[nH+]c12 ZINC000635796652 652754777 /nfs/dbraw/zinc/75/47/77/652754777.db2.gz XJZVYHRNAFXFNA-CYBMUJFWSA-N 2 2 379.302 2.406 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)C[C@H]3CC[N@H+](C)C3)[nH+]c12 ZINC000635796652 652754784 /nfs/dbraw/zinc/75/47/84/652754784.db2.gz XJZVYHRNAFXFNA-CYBMUJFWSA-N 2 2 379.302 2.406 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)C[C@@H]3CC[N@@H+](C)C3)[nH+]c12 ZINC000635796654 652755012 /nfs/dbraw/zinc/75/50/12/652755012.db2.gz XJZVYHRNAFXFNA-ZDUSSCGKSA-N 2 2 379.302 2.406 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)C[C@@H]3CC[N@H+](C)C3)[nH+]c12 ZINC000635796654 652755019 /nfs/dbraw/zinc/75/50/19/652755019.db2.gz XJZVYHRNAFXFNA-ZDUSSCGKSA-N 2 2 379.302 2.406 20 0 GEADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000639766495 652952720 /nfs/dbraw/zinc/95/27/20/652952720.db2.gz PZZMYSVVUJKEBH-YOEHRIQHSA-N 2 2 377.312 2.122 20 0 GEADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000639766495 652952725 /nfs/dbraw/zinc/95/27/25/652952725.db2.gz PZZMYSVVUJKEBH-YOEHRIQHSA-N 2 2 377.312 2.122 20 0 GEADLP CC[NH+](CC)CCSCC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601850847 653130140 /nfs/dbraw/zinc/13/01/40/653130140.db2.gz HMIQFJPOMLXEFI-UHFFFAOYSA-N 2 2 382.599 2.326 20 0 GEADLP Cn1c[nH+]cc1CCCn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641178100 653166655 /nfs/dbraw/zinc/16/66/55/653166655.db2.gz RBBUDOYYTXLVQE-MRXNPFEDSA-N 2 2 375.274 2.455 20 0 GEADLP Oc1ccc(Br)c(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000641787517 653233935 /nfs/dbraw/zinc/23/39/35/653233935.db2.gz CGZAFLBKYZOTEB-MRXNPFEDSA-N 2 2 398.345 2.041 20 0 GEADLP Brc1ccsc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641788498 653234014 /nfs/dbraw/zinc/23/40/14/653234014.db2.gz NQVXZSJNUHNUSW-CQSZACIVSA-N 2 2 388.375 2.397 20 0 GEADLP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2nc3ccccn3c2Br)CC1 ZINC000809604158 653284977 /nfs/dbraw/zinc/28/49/77/653284977.db2.gz GACUBGPKJKNQBF-UHFFFAOYSA-N 2 2 380.334 2.212 20 0 GEADLP CCOP(=O)(OCC)[C@H](O)C[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000860029755 653615420 /nfs/dbraw/zinc/61/54/20/653615420.db2.gz BVFLRNYGFZSEHC-INIZCTEOSA-N 2 2 378.450 2.148 20 0 GEADLP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000877989800 653625416 /nfs/dbraw/zinc/62/54/16/653625416.db2.gz FKGKDMNDMPTWSM-SJLPKXTDSA-N 2 2 386.323 2.094 20 0 GEADLP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000877989800 653625419 /nfs/dbraw/zinc/62/54/19/653625419.db2.gz FKGKDMNDMPTWSM-SJLPKXTDSA-N 2 2 386.323 2.094 20 0 GEADLP O[C@@H](C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000878338300 653635088 /nfs/dbraw/zinc/63/50/88/653635088.db2.gz OWYZAFROOUHSFZ-KRWDZBQOSA-N 2 2 389.323 2.186 20 0 GEADLP C[NH+]1CCN(C2CC[NH+](C[C@H](O)c3cccc(Br)c3)CC2)CC1 ZINC000879591118 653673913 /nfs/dbraw/zinc/67/39/13/653673913.db2.gz JTOSYOQBMMOIBB-SFHVURJKSA-N 2 2 382.346 2.194 20 0 GEADLP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCc3cc(Br)cc(F)c3C2)C1 ZINC000841019601 653705090 /nfs/dbraw/zinc/70/50/90/653705090.db2.gz CCVGQQYHIXVBKA-LBPRGKRZSA-N 2 2 384.293 2.144 20 0 GEADLP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCc3cc(Br)cc(F)c3C2)C1 ZINC000841019601 653705091 /nfs/dbraw/zinc/70/50/91/653705091.db2.gz CCVGQQYHIXVBKA-LBPRGKRZSA-N 2 2 384.293 2.144 20 0 GEADLP Cn1nc(Br)cc1C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000785446910 653709370 /nfs/dbraw/zinc/70/93/70/653709370.db2.gz HZEIKRIXGSRWKW-KRWDZBQOSA-N 2 2 392.345 2.261 20 0 GEADLP CC[NH+](CC)CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787669810 653741856 /nfs/dbraw/zinc/74/18/56/653741856.db2.gz JBSFEWGFPGZSTA-UHFFFAOYSA-N 2 2 383.334 2.481 20 0 GEADLP C[NH+](C)CC(C)(C)CNC(=S)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000865254813 653758028 /nfs/dbraw/zinc/75/80/28/653758028.db2.gz FDHQBNHHGQGKLZ-UHFFFAOYSA-N 2 2 381.615 2.187 20 0 GEADLP OCC1([NH2+]CC2CC2)CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000844333801 653805107 /nfs/dbraw/zinc/80/51/07/653805107.db2.gz BGGIEWLYCIIDLC-KRWDZBQOSA-N 2 2 383.330 2.309 20 0 GEADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895684202 653845987 /nfs/dbraw/zinc/84/59/87/653845987.db2.gz BFQFNJXBYPMGJL-GAKIBJFNSA-N 2 2 375.494 2.096 20 0 GEADLP C[NH+](C)Cc1ccc(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)cc1Br ZINC000897516498 653925171 /nfs/dbraw/zinc/92/51/71/653925171.db2.gz HOFSHHYVMMISRW-OAHLLOKOSA-N 2 2 382.302 2.170 20 0 GEADLP O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)c1Cl ZINC000898367083 653964975 /nfs/dbraw/zinc/96/49/75/653964975.db2.gz LGJMKLZQJHQBKJ-NSHDSACASA-N 2 2 376.873 2.451 20 0 GEADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)C[C@H](O)c2ccccc2Br)CC1 ZINC000832672917 654286269 /nfs/dbraw/zinc/28/62/69/654286269.db2.gz NWLUOHWAIVGOIS-KRWDZBQOSA-N 2 2 398.345 2.015 20 0 GEADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@H](O)c2ccccc2Br)CC1 ZINC000832672917 654286276 /nfs/dbraw/zinc/28/62/76/654286276.db2.gz NWLUOHWAIVGOIS-KRWDZBQOSA-N 2 2 398.345 2.015 20 0 GEADLP Cc1cccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1Br ZINC000921747092 654317612 /nfs/dbraw/zinc/31/76/12/654317612.db2.gz LXIVWGQIUAIPBZ-KRWDZBQOSA-N 2 2 382.346 2.254 20 0 GEADLP Cc1sc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1Br ZINC000873052749 654411849 /nfs/dbraw/zinc/41/18/49/654411849.db2.gz VPXSYWAWQYOLAD-CQSZACIVSA-N 2 2 388.375 2.315 20 0 GEADLP COCC[NH2+]C1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000923387253 654447909 /nfs/dbraw/zinc/44/79/09/654447909.db2.gz HWGZIWUQTQSISA-HNNXBMFYSA-N 2 2 377.312 2.434 20 0 GEADLP C[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cccc(Br)n1 ZINC000926868709 654583817 /nfs/dbraw/zinc/58/38/17/654583817.db2.gz ZCMVCFJUGNCQQV-HOTGVXAUSA-N 2 2 397.361 2.291 20 0 GEADLP O=C(N(CCn1cc[nH+]c1)Cc1ccc(Br)o1)C12CC[NH+](CC1)C2 ZINC000908125920 654606476 /nfs/dbraw/zinc/60/64/76/654606476.db2.gz SGRSJGZSWFEDMU-UHFFFAOYSA-N 2 2 393.285 2.363 20 0 GEADLP Cc1cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc(C2CC2)[nH+]1 ZINC001164717146 720199832 /nfs/dbraw/zinc/19/98/32/720199832.db2.gz SPLHJKBVYVTJGU-GOSISDBHSA-N 2 2 397.527 2.007 20 0 GEADLP c1nc2n(c1C[NH+]1CCCC1)CCN(c1cc[nH+]c(N3CCCCC3)n1)CC2 ZINC001164737035 720579674 /nfs/dbraw/zinc/57/96/74/720579674.db2.gz ZOQWSOAJEDMDTC-UHFFFAOYSA-N 2 2 381.528 2.322 20 0 GEADLP Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2c([nH+]1)CCC2 ZINC001164741233 720841857 /nfs/dbraw/zinc/84/18/57/720841857.db2.gz DUWAQMICUKBLTO-DBXWQHBBSA-N 2 2 393.539 2.245 20 0 GEADLP Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2c([nH+]1)CCC2 ZINC001164741233 720841858 /nfs/dbraw/zinc/84/18/58/720841858.db2.gz DUWAQMICUKBLTO-DBXWQHBBSA-N 2 2 393.539 2.245 20 0 GEADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(N5CCCCC5)cc[nH+]4)C[C@H]3C2)cn1 ZINC001164764201 721162268 /nfs/dbraw/zinc/16/22/68/721162268.db2.gz HKCPOKBHECNENR-RBUKOAKNSA-N 2 2 381.528 2.159 20 0 GEADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(N5CCCCC5)cc[nH+]4)C[C@H]3C2)cn1 ZINC001164764201 721162271 /nfs/dbraw/zinc/16/22/71/721162271.db2.gz HKCPOKBHECNENR-RBUKOAKNSA-N 2 2 381.528 2.159 20 0 GEADLP COc1ccc2c[nH+]c(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)cc2c1 ZINC001164796790 721516921 /nfs/dbraw/zinc/51/69/21/721516921.db2.gz CNWMTDNPAMYQEY-UHFFFAOYSA-N 2 2 392.507 2.208 20 0 GEADLP C[NH+]1CCN(Cc2cn3c(n2)CN(c2[nH+]ccc4c5c([nH]c42)CCC5)CC3)CC1 ZINC001164795865 721522272 /nfs/dbraw/zinc/52/22/72/721522272.db2.gz TWVWETWQYMDXFZ-UHFFFAOYSA-N 2 2 391.523 2.016 20 0 GEADLP c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4ccc5c([nH+]4)CCC5)CCO3)C2)c1 ZINC001164911408 721777687 /nfs/dbraw/zinc/77/76/87/721777687.db2.gz GPBPZNFAPJDYQV-JOCHJYFZSA-N 2 2 380.492 2.073 20 0 GEADLP c1cncc(C[N@H+]2CCOC[C@]3(CN(c4ccc5c([nH+]4)CCC5)CCO3)C2)c1 ZINC001164911408 721777702 /nfs/dbraw/zinc/77/77/02/721777702.db2.gz GPBPZNFAPJDYQV-JOCHJYFZSA-N 2 2 380.492 2.073 20 0 GEADLP c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4ccc5c([nH+]4)CCCC5)CCO3)C2)c1 ZINC001164910416 721779000 /nfs/dbraw/zinc/77/90/00/721779000.db2.gz BQJWJISXTXYEDD-QHCPKHFHSA-N 2 2 394.519 2.463 20 0 GEADLP c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4ccc5c([nH+]4)CCCC5)CCO3)C2)c1 ZINC001164910416 721779002 /nfs/dbraw/zinc/77/90/02/721779002.db2.gz BQJWJISXTXYEDD-QHCPKHFHSA-N 2 2 394.519 2.463 20 0 GEADLP Cc1c[nH+]c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1NC1CC1 ZINC001164975545 722099014 /nfs/dbraw/zinc/09/90/14/722099014.db2.gz CIOVBYRKHYEEKA-AZUAARDMSA-N 2 2 394.523 2.482 20 0 GEADLP Cc1c[nH+]c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1NC1CC1 ZINC001164975545 722099015 /nfs/dbraw/zinc/09/90/15/722099015.db2.gz CIOVBYRKHYEEKA-AZUAARDMSA-N 2 2 394.523 2.482 20 0 GEADLP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H](C)[NH+]3CCSCC3)CC2)cs1 ZINC000152465629 531553760 /nfs/dbraw/zinc/55/37/60/531553760.db2.gz WNFDDKARGSOXJV-CQSZACIVSA-N 2 2 382.599 2.217 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000168614679 531881639 /nfs/dbraw/zinc/88/16/39/531881639.db2.gz YCWMUOOBNXXAPU-VXGBXAGGSA-N 2 2 387.265 2.207 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000168614679 531881645 /nfs/dbraw/zinc/88/16/45/531881645.db2.gz YCWMUOOBNXXAPU-VXGBXAGGSA-N 2 2 387.265 2.207 20 0 GEADLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cncc(Br)c3)CC2)CC1 ZINC000171941060 531924571 /nfs/dbraw/zinc/92/45/71/531924571.db2.gz BGNUKDYSIGOBRB-UHFFFAOYSA-N 2 2 395.345 2.220 20 0 GEADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000647530017 532374614 /nfs/dbraw/zinc/37/46/14/532374614.db2.gz CNGSOWGRVUKQOT-GJZGRUSLSA-N 2 2 377.312 2.170 20 0 GEADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000647530017 532374618 /nfs/dbraw/zinc/37/46/18/532374618.db2.gz CNGSOWGRVUKQOT-GJZGRUSLSA-N 2 2 377.312 2.170 20 0 GEADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[NH+]1CCC(O)CC1 ZINC000294808322 532383497 /nfs/dbraw/zinc/38/34/97/532383497.db2.gz JCIGEACCSRSYLP-ZDUSSCGKSA-N 2 2 384.318 2.213 20 0 GEADLP OC[C@@H]1CC[NH+](Cc2cc(Br)ccc2C[N@H+]2CC[C@H](CO)C2)C1 ZINC000192073576 532384295 /nfs/dbraw/zinc/38/42/95/532384295.db2.gz DOQBPIVSRVENTG-LSDHHAIUSA-N 2 2 383.330 2.078 20 0 GEADLP OC[C@@H]1CC[NH+](Cc2cc(Br)ccc2C[N@@H+]2CC[C@H](CO)C2)C1 ZINC000192073576 532384300 /nfs/dbraw/zinc/38/43/00/532384300.db2.gz DOQBPIVSRVENTG-LSDHHAIUSA-N 2 2 383.330 2.078 20 0 GEADLP OC[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2C[NH+]2CC[C@H](CO)C2)C1 ZINC000192073576 532384307 /nfs/dbraw/zinc/38/43/07/532384307.db2.gz DOQBPIVSRVENTG-LSDHHAIUSA-N 2 2 383.330 2.078 20 0 GEADLP OC[C@@H]1CC[N@H+](Cc2cc(Br)ccc2C[NH+]2CC[C@H](CO)C2)C1 ZINC000192073576 532384315 /nfs/dbraw/zinc/38/43/15/532384315.db2.gz DOQBPIVSRVENTG-LSDHHAIUSA-N 2 2 383.330 2.078 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3sccc3Br)C2)CC1 ZINC000648316252 532393963 /nfs/dbraw/zinc/39/39/63/532393963.db2.gz VCDKZLZPNLGGGG-LBPRGKRZSA-N 2 2 386.359 2.338 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3sccc3Br)C2)CC1 ZINC000648316252 532393968 /nfs/dbraw/zinc/39/39/68/532393968.db2.gz VCDKZLZPNLGGGG-LBPRGKRZSA-N 2 2 386.359 2.338 20 0 GEADLP C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000517231138 532409685 /nfs/dbraw/zinc/40/96/85/532409685.db2.gz SNPUJAIQGFIXNS-GXTWGEPZSA-N 2 2 375.332 2.295 20 0 GEADLP C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CC[N@H+]1C ZINC000517231138 532409696 /nfs/dbraw/zinc/40/96/96/532409696.db2.gz SNPUJAIQGFIXNS-GXTWGEPZSA-N 2 2 375.332 2.295 20 0 GEADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280251853 532410779 /nfs/dbraw/zinc/41/07/79/532410779.db2.gz WRKLNUUOLNIDGU-NSHDSACASA-N 2 2 398.356 2.260 20 0 GEADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280251853 532410789 /nfs/dbraw/zinc/41/07/89/532410789.db2.gz WRKLNUUOLNIDGU-NSHDSACASA-N 2 2 398.356 2.260 20 0 GEADLP O[C@H](C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)CC1(O)CCC1 ZINC000625422027 532427971 /nfs/dbraw/zinc/42/79/71/532427971.db2.gz ZUJRRBIVDLCGPK-AWEZNQCLSA-N 2 2 398.301 2.407 20 0 GEADLP O[C@H](C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)CC1(O)CCC1 ZINC000625422027 532427984 /nfs/dbraw/zinc/42/79/84/532427984.db2.gz ZUJRRBIVDLCGPK-AWEZNQCLSA-N 2 2 398.301 2.407 20 0 GEADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428029931 532440882 /nfs/dbraw/zinc/44/08/82/532440882.db2.gz GELXLWSDYVWLLW-XUJVJEKNSA-N 2 2 399.276 2.302 20 0 GEADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428029931 532440886 /nfs/dbraw/zinc/44/08/86/532440886.db2.gz GELXLWSDYVWLLW-XUJVJEKNSA-N 2 2 399.276 2.302 20 0 GEADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1c(F)ccc(Br)c1F ZINC000281864576 532440362 /nfs/dbraw/zinc/44/03/62/532440362.db2.gz CEAUOJOVICZLTN-ZDUSSCGKSA-N 2 2 376.245 2.157 20 0 GEADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1c(F)ccc(Br)c1F ZINC000281864576 532440366 /nfs/dbraw/zinc/44/03/66/532440366.db2.gz CEAUOJOVICZLTN-ZDUSSCGKSA-N 2 2 376.245 2.157 20 0 GEADLP C[NH+](C)CCN1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1=O ZINC000651382734 532469220 /nfs/dbraw/zinc/46/92/20/532469220.db2.gz TWWBVJJUUIDSEI-UHFFFAOYSA-N 2 2 395.276 2.347 20 0 GEADLP O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000519648471 532472688 /nfs/dbraw/zinc/47/26/88/532472688.db2.gz ULWWCEYAQJFZTN-IAGOWNOFSA-N 2 2 396.329 2.081 20 0 GEADLP O[C@H](C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccc(Cl)cc1Cl ZINC000374801985 532518701 /nfs/dbraw/zinc/51/87/01/532518701.db2.gz PJJCSHKIUNBGKC-QGZVFWFLSA-N 2 2 389.323 2.186 20 0 GEADLP C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430611379 532501613 /nfs/dbraw/zinc/50/16/13/532501613.db2.gz NYDCNJPXAICLKU-VXGBXAGGSA-N 2 2 387.311 2.107 20 0 GEADLP C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430611379 532501618 /nfs/dbraw/zinc/50/16/18/532501618.db2.gz NYDCNJPXAICLKU-VXGBXAGGSA-N 2 2 387.311 2.107 20 0 GEADLP Cn1c[nH+]cc1CCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000653482879 532535176 /nfs/dbraw/zinc/53/51/76/532535176.db2.gz NCPIYEWICDCEFT-UHFFFAOYSA-N 2 2 382.917 2.013 20 0 GEADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000565173732 532550008 /nfs/dbraw/zinc/55/00/08/532550008.db2.gz VAKWPJNBWWYWSV-WBVHZDCISA-N 2 2 387.318 2.130 20 0 GEADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000565173732 532550012 /nfs/dbraw/zinc/55/00/12/532550012.db2.gz VAKWPJNBWWYWSV-WBVHZDCISA-N 2 2 387.318 2.130 20 0 GEADLP CN(C(=O)c1c(F)cncc1Br)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631246794 532551250 /nfs/dbraw/zinc/55/12/50/532551250.db2.gz KDAPSJXFYBSYTN-CYBMUJFWSA-N 2 2 399.308 2.224 20 0 GEADLP CN(C(=O)c1c(F)cncc1Br)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631246794 532551258 /nfs/dbraw/zinc/55/12/58/532551258.db2.gz KDAPSJXFYBSYTN-CYBMUJFWSA-N 2 2 399.308 2.224 20 0 GEADLP CSC1(CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[NH+](C)CC1 ZINC000565570320 532570010 /nfs/dbraw/zinc/57/00/10/532570010.db2.gz BGKNRDGZAIHLKN-UHFFFAOYSA-N 2 2 382.599 2.403 20 0 GEADLP OC[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C[NH+]2CC[C@H](CO)C2)C1 ZINC000249244237 532562880 /nfs/dbraw/zinc/56/28/80/532562880.db2.gz DOQBPIVSRVENTG-CABCVRRESA-N 2 2 383.330 2.078 20 0 GEADLP OC[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C[NH+]2CC[C@H](CO)C2)C1 ZINC000249244237 532562885 /nfs/dbraw/zinc/56/28/85/532562885.db2.gz DOQBPIVSRVENTG-CABCVRRESA-N 2 2 383.330 2.078 20 0 GEADLP OC[C@@H]1CC[NH+](Cc2ccc(Br)cc2C[N@@H+]2CC[C@H](CO)C2)C1 ZINC000249244237 532562892 /nfs/dbraw/zinc/56/28/92/532562892.db2.gz DOQBPIVSRVENTG-CABCVRRESA-N 2 2 383.330 2.078 20 0 GEADLP OC[C@H]1CCC[NH+]1Cc1cc(Br)ccc1C[N@H+]1CCC[C@H]1CO ZINC000249396056 532565097 /nfs/dbraw/zinc/56/50/97/532565097.db2.gz ZYYOKHXLNQVZNX-ZWKOTPCHSA-N 2 2 383.330 2.363 20 0 GEADLP OC[C@H]1CCC[NH+]1Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H]1CO ZINC000249396056 532565101 /nfs/dbraw/zinc/56/51/01/532565101.db2.gz ZYYOKHXLNQVZNX-ZWKOTPCHSA-N 2 2 383.330 2.363 20 0 GEADLP OC[C@H]1CCC[N@H+]1Cc1cc(Br)ccc1C[NH+]1CCC[C@H]1CO ZINC000249396056 532565106 /nfs/dbraw/zinc/56/51/06/532565106.db2.gz ZYYOKHXLNQVZNX-ZWKOTPCHSA-N 2 2 383.330 2.363 20 0 GEADLP OC[C@H]1CCC[N@@H+]1Cc1cc(Br)ccc1C[NH+]1CCC[C@H]1CO ZINC000249396056 532565110 /nfs/dbraw/zinc/56/51/10/532565110.db2.gz ZYYOKHXLNQVZNX-ZWKOTPCHSA-N 2 2 383.330 2.363 20 0 GEADLP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1ncc(Br)cc1F ZINC000375517239 532565277 /nfs/dbraw/zinc/56/52/77/532565277.db2.gz PZIGWBJNESYYAH-PXTQAZKISA-N 2 2 396.264 2.387 20 0 GEADLP COCC[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC)cc2Br)CC1 ZINC000284262874 532583172 /nfs/dbraw/zinc/58/31/72/532583172.db2.gz GLJCALRQDMVUJD-UHFFFAOYSA-N 2 2 385.302 2.436 20 0 GEADLP C[C@H](CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488440 532591083 /nfs/dbraw/zinc/59/10/83/532591083.db2.gz ZRTJRPOQCQJGOX-ZUMXRPEOSA-N 2 2 398.345 2.237 20 0 GEADLP C[C@H](CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488440 532591089 /nfs/dbraw/zinc/59/10/89/532591089.db2.gz ZRTJRPOQCQJGOX-ZUMXRPEOSA-N 2 2 398.345 2.237 20 0 GEADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](c2cc(Cl)ccc2Cl)[C@H]2CCOC2)CC1 ZINC000376176451 532599235 /nfs/dbraw/zinc/59/92/35/532599235.db2.gz BEDRLKIVPZNQGQ-SCLBCKFNSA-N 2 2 386.323 2.435 20 0 GEADLP Ic1ccc(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000596651231 532601330 /nfs/dbraw/zinc/60/13/30/532601330.db2.gz CNJDPMXQHGOSRL-JKSUJKDBSA-N 2 2 386.277 2.190 20 0 GEADLP C[N@H+](CC(=O)Nc1ccc(I)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435627996 532623410 /nfs/dbraw/zinc/62/34/10/532623410.db2.gz SWVSQPSVBAYRMU-CQSZACIVSA-N 2 2 387.265 2.304 20 0 GEADLP C[N@@H+](CC(=O)Nc1ccc(I)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435627996 532623416 /nfs/dbraw/zinc/62/34/16/532623416.db2.gz SWVSQPSVBAYRMU-CQSZACIVSA-N 2 2 387.265 2.304 20 0 GEADLP NC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000568237316 532673790 /nfs/dbraw/zinc/67/37/90/532673790.db2.gz XMMUGISZBQIYFB-ZACQAIPSSA-N 2 2 396.329 2.194 20 0 GEADLP O[C@@H](C[NH2+]Cc1ccc(I)c(Cl)c1)C[NH+]1CCCC1 ZINC000600734603 532679554 /nfs/dbraw/zinc/67/95/54/532679554.db2.gz HXBADENUNLMZOA-LBPRGKRZSA-N 2 2 394.684 2.491 20 0 GEADLP O=C(NCC[NH+]1CCSCC1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000264901849 532683547 /nfs/dbraw/zinc/68/35/47/532683547.db2.gz VAVPFRBHYWMRJG-UHFFFAOYSA-N 2 2 380.583 2.406 20 0 GEADLP Cc1cc(NC(=O)C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)ccc1Br ZINC000646104194 532723127 /nfs/dbraw/zinc/72/31/27/532723127.db2.gz AQDPISVRWTUALN-UHFFFAOYSA-N 2 2 396.329 2.493 20 0 GEADLP Cc1cc(NC(=O)C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)ccc1Br ZINC000646104194 532723135 /nfs/dbraw/zinc/72/31/35/532723135.db2.gz AQDPISVRWTUALN-UHFFFAOYSA-N 2 2 396.329 2.493 20 0 GEADLP C[N@@H+]1CCN(Cc2ccc(Br)c(Br)c2)[C@H](C[NH3+])C1 ZINC000300516296 532739006 /nfs/dbraw/zinc/73/90/06/532739006.db2.gz ONYKUVIHRPTWSZ-LLVKDONJSA-N 2 2 377.124 2.286 20 0 GEADLP C[N@H+]1CCN(Cc2ccc(Br)c(Br)c2)[C@H](C[NH3+])C1 ZINC000300516296 532739014 /nfs/dbraw/zinc/73/90/14/532739014.db2.gz ONYKUVIHRPTWSZ-LLVKDONJSA-N 2 2 377.124 2.286 20 0 GEADLP O=C(CC[NH2+][C@@H]1CCC[N@@H+](CCCO)C1)Nc1cccc(Br)c1 ZINC000581370014 532755613 /nfs/dbraw/zinc/75/56/13/532755613.db2.gz FLKZXEBXZKIVKS-MRXNPFEDSA-N 2 2 384.318 2.214 20 0 GEADLP O=C(CC[NH2+][C@@H]1CCC[N@H+](CCCO)C1)Nc1cccc(Br)c1 ZINC000581370014 532755619 /nfs/dbraw/zinc/75/56/19/532755619.db2.gz FLKZXEBXZKIVKS-MRXNPFEDSA-N 2 2 384.318 2.214 20 0 GEADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000581006824 532753607 /nfs/dbraw/zinc/75/36/07/532753607.db2.gz RTNIARMXQYIELK-KGLIPLIRSA-N 2 2 377.312 2.434 20 0 GEADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000581006824 532753611 /nfs/dbraw/zinc/75/36/11/532753611.db2.gz RTNIARMXQYIELK-KGLIPLIRSA-N 2 2 377.312 2.434 20 0 GEADLP C[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)C[N@@H+]1C1CC1 ZINC000512879792 532779071 /nfs/dbraw/zinc/77/90/71/532779071.db2.gz JWXUHCCDGYVDTE-NWDGAFQWSA-N 2 2 392.352 2.487 20 0 GEADLP C[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)C[N@H+]1C1CC1 ZINC000512879792 532779074 /nfs/dbraw/zinc/77/90/74/532779074.db2.gz JWXUHCCDGYVDTE-NWDGAFQWSA-N 2 2 392.352 2.487 20 0 GEADLP Cn1c[nH+]c(CC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)c1 ZINC000459668843 532797159 /nfs/dbraw/zinc/79/71/59/532797159.db2.gz UKDUIRIJISNORX-UHFFFAOYSA-N 2 2 379.302 2.352 20 0 GEADLP Cc1cc(Br)cn2c(C[N@H+]3CCc4nn(C)c(=O)cc4C3)c[nH+]c12 ZINC000273244235 532821545 /nfs/dbraw/zinc/82/15/45/532821545.db2.gz ZJUQGSPBHHSEHK-UHFFFAOYSA-N 2 2 388.269 2.057 20 0 GEADLP Cc1cc(Br)cn2c(C[N@@H+]3CCc4nn(C)c(=O)cc4C3)c[nH+]c12 ZINC000273244235 532821546 /nfs/dbraw/zinc/82/15/46/532821546.db2.gz ZJUQGSPBHHSEHK-UHFFFAOYSA-N 2 2 388.269 2.057 20 0 GEADLP Brc1ccccc1C[NH+]1CCC(NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000415051581 532837248 /nfs/dbraw/zinc/83/72/48/532837248.db2.gz ZYQBSXYZZXQULF-QGZVFWFLSA-N 2 2 382.346 2.382 20 0 GEADLP O=C1N[C@@H]2C[N@H+](Cc3ccc(Br)s3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415138747 532838477 /nfs/dbraw/zinc/83/84/77/532838477.db2.gz KNRIPLHMZUDBJP-KGLIPLIRSA-N 2 2 399.358 2.231 20 0 GEADLP O=C1N[C@@H]2C[N@@H+](Cc3ccc(Br)s3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415138747 532838481 /nfs/dbraw/zinc/83/84/81/532838481.db2.gz KNRIPLHMZUDBJP-KGLIPLIRSA-N 2 2 399.358 2.231 20 0 GEADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000289013254 532844538 /nfs/dbraw/zinc/84/45/38/532844538.db2.gz AFMUIFMGFPOBSY-ZDUSSCGKSA-N 2 2 392.301 2.471 20 0 GEADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000289013254 532844540 /nfs/dbraw/zinc/84/45/40/532844540.db2.gz AFMUIFMGFPOBSY-ZDUSSCGKSA-N 2 2 392.301 2.471 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[NH+](C4CC4)CC3)[nH+]c12 ZINC000274220236 532844967 /nfs/dbraw/zinc/84/49/67/532844967.db2.gz OPXORCBBCVOFEX-UHFFFAOYSA-N 2 2 392.301 2.395 20 0 GEADLP Brc1c[nH+]ccc1NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000274393618 532849762 /nfs/dbraw/zinc/84/97/62/532849762.db2.gz WEFOMVDWMYZIPM-UHFFFAOYSA-N 2 2 377.290 2.258 20 0 GEADLP CCOc1cc(C[NH2+]CC[N@H+](CC)CCO)cc(Br)c1OC ZINC000274424613 532850221 /nfs/dbraw/zinc/85/02/21/532850221.db2.gz QZNGDATWWIKVCD-UHFFFAOYSA-N 2 2 375.307 2.260 20 0 GEADLP CCOc1cc(C[NH2+]CC[N@@H+](CC)CCO)cc(Br)c1OC ZINC000274424613 532850222 /nfs/dbraw/zinc/85/02/22/532850222.db2.gz QZNGDATWWIKVCD-UHFFFAOYSA-N 2 2 375.307 2.260 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3C[C@H](C)[NH2+]C[C@H]3C)[nH+]c12 ZINC000332256031 532851108 /nfs/dbraw/zinc/85/11/08/532851108.db2.gz CRXPYMLUHQMEKT-NWDGAFQWSA-N 2 2 380.290 2.297 20 0 GEADLP Cc1nn(C)c(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)c1Br ZINC000333351035 532867612 /nfs/dbraw/zinc/86/76/12/532867612.db2.gz BCPSTHTVXVONEK-UHFFFAOYSA-N 2 2 379.306 2.128 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@]4(CC[NH2+]C4)C3)[nH+]c12 ZINC000333852517 532874049 /nfs/dbraw/zinc/87/40/49/532874049.db2.gz XOGROQBLOPJQQS-QGZVFWFLSA-N 2 2 392.301 2.300 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)[nH+]c12 ZINC000333855136 532874101 /nfs/dbraw/zinc/87/41/01/532874101.db2.gz YCCAOILMTBKNLG-NILFDRSVSA-N 2 2 392.301 2.284 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)[nH+]c12 ZINC000333842625 532874268 /nfs/dbraw/zinc/87/42/68/532874268.db2.gz VLQIJWGUSXRPRP-IUODEOHRSA-N 2 2 392.301 2.299 20 0 GEADLP [NH3+]CC(F)(F)CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000417584629 532880284 /nfs/dbraw/zinc/88/02/84/532880284.db2.gz NFFVJTYBIVYWDK-CYBMUJFWSA-N 2 2 378.826 2.337 20 0 GEADLP [NH3+]CC(F)(F)CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000417584629 532880285 /nfs/dbraw/zinc/88/02/85/532880285.db2.gz NFFVJTYBIVYWDK-CYBMUJFWSA-N 2 2 378.826 2.337 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(F)cc3Br)C2)CC1 ZINC000363338461 532898536 /nfs/dbraw/zinc/89/85/36/532898536.db2.gz GLQUMHCFGKYPIV-CYBMUJFWSA-N 2 2 384.293 2.487 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(F)cc3Br)C2)CC1 ZINC000363338461 532898538 /nfs/dbraw/zinc/89/85/38/532898538.db2.gz GLQUMHCFGKYPIV-CYBMUJFWSA-N 2 2 384.293 2.487 20 0 GEADLP Cc1cnc(Br)c(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000291984686 532911595 /nfs/dbraw/zinc/91/15/95/532911595.db2.gz FWZSRDLNYAUPBZ-UHFFFAOYSA-N 2 2 384.322 2.300 20 0 GEADLP CN(C)c1cc(Br)cc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000293364687 532925738 /nfs/dbraw/zinc/92/57/38/532925738.db2.gz LYCBBIGDGQSXEN-UHFFFAOYSA-N 2 2 397.361 2.271 20 0 GEADLP Cc1nn(C)c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1Br ZINC000369217380 532937478 /nfs/dbraw/zinc/93/74/78/532937478.db2.gz YKZCLMMUXQPNHR-UHFFFAOYSA-N 2 2 385.350 2.425 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(Br)c(F)c3)C2)CC1 ZINC000369272144 532937759 /nfs/dbraw/zinc/93/77/59/532937759.db2.gz AFQMNDWWSHRFBO-CYBMUJFWSA-N 2 2 384.293 2.487 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(Br)c(F)c3)C2)CC1 ZINC000369272144 532937760 /nfs/dbraw/zinc/93/77/60/532937760.db2.gz AFQMNDWWSHRFBO-CYBMUJFWSA-N 2 2 384.293 2.487 20 0 GEADLP FC(F)SCc1ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)o1 ZINC000371664015 532949233 /nfs/dbraw/zinc/94/92/33/532949233.db2.gz OJAZFTQQGOAUBP-CQSZACIVSA-N 2 2 375.485 2.232 20 0 GEADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000735857272 599091266 /nfs/dbraw/zinc/09/12/66/599091266.db2.gz RKJULBLWSJUSBS-IBGZPJMESA-N 2 2 393.495 2.023 20 0 GEADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000735857272 599091269 /nfs/dbraw/zinc/09/12/69/599091269.db2.gz RKJULBLWSJUSBS-IBGZPJMESA-N 2 2 393.495 2.023 20 0 GEADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2NCC1([NH+]2CCOCC2)CCCCC1 ZINC000738436881 599256496 /nfs/dbraw/zinc/25/64/96/599256496.db2.gz KTCWNVMXHHLARZ-UHFFFAOYSA-N 2 2 393.495 2.284 20 0 GEADLP CC[NH+](CC)CCNc1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000821189145 607302051 /nfs/dbraw/zinc/30/20/51/607302051.db2.gz IHNVYMXZJDLURE-UHFFFAOYSA-N 2 2 377.399 2.192 20 0 GEADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737500677 598367749 /nfs/dbraw/zinc/36/77/49/598367749.db2.gz QVWPHDZLHKHLMQ-OAHLLOKOSA-N 2 2 380.456 2.037 20 0 GEADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737500677 598367751 /nfs/dbraw/zinc/36/77/51/598367751.db2.gz QVWPHDZLHKHLMQ-OAHLLOKOSA-N 2 2 380.456 2.037 20 0 GEADLP c1cc(-c2nn[nH]n2)oc1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000823780193 599408595 /nfs/dbraw/zinc/40/85/95/599408595.db2.gz PMTXVJKFNANDIV-UHFFFAOYSA-N 2 2 395.511 2.147 20 0 GEADLP c1cc(-c2nn[nH]n2)oc1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000823780193 599408598 /nfs/dbraw/zinc/40/85/98/599408598.db2.gz PMTXVJKFNANDIV-UHFFFAOYSA-N 2 2 395.511 2.147 20 0 GEADLP CC[C@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)CC[N@@H+]1C[C@H](C)O ZINC000820995796 599533893 /nfs/dbraw/zinc/53/38/93/599533893.db2.gz YIAPNIADUGFWLX-GJZGRUSLSA-N 2 2 381.484 2.005 20 0 GEADLP CC[C@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)CC[N@H+]1C[C@H](C)O ZINC000820995796 599533896 /nfs/dbraw/zinc/53/38/96/599533896.db2.gz YIAPNIADUGFWLX-GJZGRUSLSA-N 2 2 381.484 2.005 20 0 GEADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000822332368 599535279 /nfs/dbraw/zinc/53/52/79/599535279.db2.gz OWXVLIPHKFFQOQ-HNNXBMFYSA-N 2 2 395.511 2.252 20 0 GEADLP COCC[N@@H+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc32)C[C@@H]1C ZINC000821691135 599535395 /nfs/dbraw/zinc/53/53/95/599535395.db2.gz KCTTXQFUNUIKOB-HNNXBMFYSA-N 2 2 381.484 2.189 20 0 GEADLP COCC[N@H+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc32)C[C@@H]1C ZINC000821691135 599535397 /nfs/dbraw/zinc/53/53/97/599535397.db2.gz KCTTXQFUNUIKOB-HNNXBMFYSA-N 2 2 381.484 2.189 20 0 GEADLP COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000821702321 599580834 /nfs/dbraw/zinc/58/08/34/599580834.db2.gz PRJYGMHLGGPAQI-INIZCTEOSA-N 2 2 386.500 2.062 20 0 GEADLP COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000821702321 599580836 /nfs/dbraw/zinc/58/08/36/599580836.db2.gz PRJYGMHLGGPAQI-INIZCTEOSA-N 2 2 386.500 2.062 20 0 GEADLP O=C(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407298 607478260 /nfs/dbraw/zinc/47/82/60/607478260.db2.gz HUVLQIZBMBYHPX-VQIMIIECSA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407298 607478262 /nfs/dbraw/zinc/47/82/62/607478262.db2.gz HUVLQIZBMBYHPX-VQIMIIECSA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407298 607478264 /nfs/dbraw/zinc/47/82/64/607478264.db2.gz HUVLQIZBMBYHPX-VQIMIIECSA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407298 607478267 /nfs/dbraw/zinc/47/82/67/607478267.db2.gz HUVLQIZBMBYHPX-VQIMIIECSA-N 2 2 395.511 2.144 20 0 GEADLP Cc1nc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(C)c(C)[nH+]1 ZINC000822427042 606062209 /nfs/dbraw/zinc/06/22/09/606062209.db2.gz AUKQITNGRKMBLW-UHFFFAOYSA-N 2 2 378.484 2.294 20 0 GEADLP Cc1nc(N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(C)c(C)[nH+]1 ZINC000822427042 606062213 /nfs/dbraw/zinc/06/22/13/606062213.db2.gz AUKQITNGRKMBLW-UHFFFAOYSA-N 2 2 378.484 2.294 20 0 GEADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)c2ccccc2)CC1 ZINC000821627074 606416393 /nfs/dbraw/zinc/41/63/93/606416393.db2.gz MDKHWUHSUSMWSO-QGZVFWFLSA-N 2 2 383.525 2.007 20 0 GEADLP CC[N@@H+]1C[C@H](C)[C@H](Nc2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000821241284 606731479 /nfs/dbraw/zinc/73/14/79/606731479.db2.gz LMPZQCUCGPRKIN-ZUZCIYMTSA-N 2 2 389.410 2.190 20 0 GEADLP CC[N@H+]1C[C@H](C)[C@H](Nc2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000821241284 606731480 /nfs/dbraw/zinc/73/14/80/606731480.db2.gz LMPZQCUCGPRKIN-ZUZCIYMTSA-N 2 2 389.410 2.190 20 0 GEADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)CC[C@@H]21 ZINC000821625914 607073371 /nfs/dbraw/zinc/07/33/71/607073371.db2.gz YKPXZMKJGRESQY-HIFRSBDPSA-N 2 2 378.427 2.384 20 0 GEADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)CC[C@@H]21 ZINC000821625914 607073373 /nfs/dbraw/zinc/07/33/73/607073373.db2.gz YKPXZMKJGRESQY-HIFRSBDPSA-N 2 2 378.427 2.384 20 0 GEADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)CC[C@@H]21 ZINC000821625914 607073375 /nfs/dbraw/zinc/07/33/75/607073375.db2.gz YKPXZMKJGRESQY-HIFRSBDPSA-N 2 2 378.427 2.384 20 0 GEADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)CC[C@@H]21 ZINC000821625914 607073377 /nfs/dbraw/zinc/07/33/77/607073377.db2.gz YKPXZMKJGRESQY-HIFRSBDPSA-N 2 2 378.427 2.384 20 0 GEADLP O=C(CC[NH+]1CCC(Nc2cccc[nH+]2)CC1)Nc1sccc1-c1nn[nH]n1 ZINC000826407552 608045420 /nfs/dbraw/zinc/04/54/20/608045420.db2.gz RYBSJYMFFJGLOT-UHFFFAOYSA-N 2 2 398.496 2.228 20 0 GEADLP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)[nH+]1 ZINC000826299597 608664147 /nfs/dbraw/zinc/66/41/47/608664147.db2.gz MCVBBPIOJRIBGP-OAHLLOKOSA-N 2 2 389.467 2.152 20 0 GEADLP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)[nH+]1 ZINC000826299597 608664149 /nfs/dbraw/zinc/66/41/49/608664149.db2.gz MCVBBPIOJRIBGP-OAHLLOKOSA-N 2 2 389.467 2.152 20 0 GEADLP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824627584 609133780 /nfs/dbraw/zinc/13/37/80/609133780.db2.gz ZDQMMYBOTZUMPB-CQSZACIVSA-N 2 2 396.474 2.003 20 0 GEADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824545573 609343493 /nfs/dbraw/zinc/34/34/93/609343493.db2.gz DDGIKPRZNMKKQR-AGRHKRQWSA-N 2 2 388.491 2.424 20 0 GEADLP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)C(C)(C)C ZINC000825860800 609407957 /nfs/dbraw/zinc/40/79/57/609407957.db2.gz XEAVKULCUDJVCE-MSOLQXFVSA-N 2 2 399.543 2.318 20 0 GEADLP Cc1c(Cl)cnc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1-c1nn[nH]n1 ZINC000826238420 609542190 /nfs/dbraw/zinc/54/21/90/609542190.db2.gz GBRGRRUDLWCEQT-UHFFFAOYSA-N 2 2 390.923 2.194 20 0 GEADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449121843 650032032 /nfs/dbraw/zinc/03/20/32/650032032.db2.gz JKMMURVCHROKNT-INIZCTEOSA-N 2 2 391.313 2.427 20 0 GEADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449121843 650032037 /nfs/dbraw/zinc/03/20/37/650032037.db2.gz JKMMURVCHROKNT-INIZCTEOSA-N 2 2 391.313 2.427 20 0 GEADLP Cc1[nH+]ccn1CC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000457809939 650385345 /nfs/dbraw/zinc/38/53/45/650385345.db2.gz QOUWQCDXOZFKMN-UHFFFAOYSA-N 2 2 392.257 2.473 20 0 GEADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H]2CCOc3c(Br)cccc32)CC1 ZINC000501543807 650394693 /nfs/dbraw/zinc/39/46/93/650394693.db2.gz AYADCBSRHFZSGE-CJNGLKHVSA-N 2 2 396.329 2.415 20 0 GEADLP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000530360547 650723240 /nfs/dbraw/zinc/72/32/40/650723240.db2.gz XCOJHDLQTUFRFG-VIFPVBQESA-N 2 2 377.297 2.268 20 0 GEADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(=O)n4cc(Br)ccc4n3)CC[C@H]21 ZINC000532649690 650751638 /nfs/dbraw/zinc/75/16/38/650751638.db2.gz CCBKBFDDFUJFND-CZUORRHYSA-N 2 2 391.313 2.373 20 0 GEADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(=O)n4cc(Br)ccc4n3)CC[C@H]21 ZINC000532649690 650751639 /nfs/dbraw/zinc/75/16/39/650751639.db2.gz CCBKBFDDFUJFND-CZUORRHYSA-N 2 2 391.313 2.373 20 0 GEADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(=O)n4cc(Br)ccc4n3)CC[C@H]21 ZINC000532649690 650751643 /nfs/dbraw/zinc/75/16/43/650751643.db2.gz CCBKBFDDFUJFND-CZUORRHYSA-N 2 2 391.313 2.373 20 0 GEADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(=O)n4cc(Br)ccc4n3)CC[C@H]21 ZINC000532649690 650751646 /nfs/dbraw/zinc/75/16/46/650751646.db2.gz CCBKBFDDFUJFND-CZUORRHYSA-N 2 2 391.313 2.373 20 0 GEADLP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(I)cc1 ZINC000489794785 650763698 /nfs/dbraw/zinc/76/36/98/650763698.db2.gz HJLHYHRNSODZBY-CQSZACIVSA-N 2 2 387.265 2.433 20 0 GEADLP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(I)cc1 ZINC000489794785 650763699 /nfs/dbraw/zinc/76/36/99/650763699.db2.gz HJLHYHRNSODZBY-CQSZACIVSA-N 2 2 387.265 2.433 20 0 GEADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000534846822 650781177 /nfs/dbraw/zinc/78/11/77/650781177.db2.gz QSJUEUBGEGYALO-ZDUSSCGKSA-N 2 2 385.295 2.289 20 0 GEADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(I)c1 ZINC000070149834 643049251 /nfs/dbraw/zinc/04/92/51/643049251.db2.gz SDWKKUDYRUDELC-AWEZNQCLSA-N 2 2 387.265 2.433 20 0 GEADLP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(I)c1 ZINC000070149834 643049257 /nfs/dbraw/zinc/04/92/57/643049257.db2.gz SDWKKUDYRUDELC-AWEZNQCLSA-N 2 2 387.265 2.433 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000228200998 645395754 /nfs/dbraw/zinc/39/57/54/645395754.db2.gz YCWMUOOBNXXAPU-NWDGAFQWSA-N 2 2 387.265 2.207 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000228200998 645395757 /nfs/dbraw/zinc/39/57/57/645395757.db2.gz YCWMUOOBNXXAPU-NWDGAFQWSA-N 2 2 387.265 2.207 20 0 GEADLP Cc1cc(Br)cn2c(CN3CC[NH2+]C[C@@H]3c3nccn3C)c[nH+]c12 ZINC000261940724 645614010 /nfs/dbraw/zinc/61/40/10/645614010.db2.gz DPFBJIUMGOFRDJ-OAHLLOKOSA-N 2 2 389.301 2.285 20 0 GEADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCS(=O)(=O)c3ccc(Br)cc3)C[C@@H]21 ZINC000262128296 645619284 /nfs/dbraw/zinc/61/92/84/645619284.db2.gz LHZQMCINZNNRGE-VBNZEHGJSA-N 2 2 387.343 2.282 20 0 GEADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCS(=O)(=O)c3ccc(Br)cc3)C[C@@H]21 ZINC000262128296 645619288 /nfs/dbraw/zinc/61/92/88/645619288.db2.gz LHZQMCINZNNRGE-VBNZEHGJSA-N 2 2 387.343 2.282 20 0 GEADLP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280289759 646667730 /nfs/dbraw/zinc/66/77/30/646667730.db2.gz ZCFBETRWCGKTCE-SECBINFHSA-N 2 2 377.297 2.497 20 0 GEADLP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CC1 ZINC000280720705 646709649 /nfs/dbraw/zinc/70/96/49/646709649.db2.gz NEVIMQNZPOXTNE-NSHDSACASA-N 2 2 390.347 2.231 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3cc(F)ccc3Br)C2)CC1 ZINC000363730763 647607268 /nfs/dbraw/zinc/60/72/68/647607268.db2.gz QTOTVLXVYQCNFF-OAHLLOKOSA-N 2 2 398.320 2.415 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3cc(F)ccc3Br)C2)CC1 ZINC000363730763 647607270 /nfs/dbraw/zinc/60/72/70/647607270.db2.gz QTOTVLXVYQCNFF-OAHLLOKOSA-N 2 2 398.320 2.415 20 0 GEADLP C[N@@H+]1CC[C@H](CNC(=O)NCC(F)(F)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417952933 648267292 /nfs/dbraw/zinc/26/72/92/648267292.db2.gz OWFYDLXISIRUMJ-BXUZGUMPSA-N 2 2 378.826 2.365 20 0 GEADLP C[N@H+]1CC[C@H](CNC(=O)NCC(F)(F)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417952933 648267297 /nfs/dbraw/zinc/26/72/97/648267297.db2.gz OWFYDLXISIRUMJ-BXUZGUMPSA-N 2 2 378.826 2.365 20 0 GEADLP [NH3+]C[C@H](NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1CC1 ZINC000418397446 648296534 /nfs/dbraw/zinc/29/65/34/648296534.db2.gz JIMITWXMRCZGFG-AWEZNQCLSA-N 2 2 396.289 2.188 20 0 GEADLP CC[C@@H]([NH3+])CNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000418733408 648308827 /nfs/dbraw/zinc/30/88/27/648308827.db2.gz ROWKAIMXUPDPCW-GFCCVEGCSA-N 2 2 384.278 2.188 20 0 GEADLP O=C1[C@@H]([N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CCN1c1ccc(Cl)cc1Cl ZINC000420349120 648413376 /nfs/dbraw/zinc/41/33/76/648413376.db2.gz NUWBNUXMIBQMFQ-YOEHRIQHSA-N 2 2 383.323 2.078 20 0 GEADLP O=C1[C@@H]([N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CCN1c1ccc(Cl)cc1Cl ZINC000420349120 648413388 /nfs/dbraw/zinc/41/33/88/648413388.db2.gz NUWBNUXMIBQMFQ-YOEHRIQHSA-N 2 2 383.323 2.078 20 0 GEADLP O=C1[C@@H]([N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CCN1c1ccc(Cl)cc1Cl ZINC000420349117 648413670 /nfs/dbraw/zinc/41/36/70/648413670.db2.gz NUWBNUXMIBQMFQ-PBHICJAKSA-N 2 2 383.323 2.078 20 0 GEADLP O=C1[C@@H]([N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CCN1c1ccc(Cl)cc1Cl ZINC000420349117 648413672 /nfs/dbraw/zinc/41/36/72/648413672.db2.gz NUWBNUXMIBQMFQ-PBHICJAKSA-N 2 2 383.323 2.078 20 0 GEADLP Brc1ccc(N2CC[C@H]([NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000422702819 648573634 /nfs/dbraw/zinc/57/36/34/648573634.db2.gz FZEXUYPMIMMYNX-RYQLBKOJSA-N 2 2 380.330 2.384 20 0 GEADLP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000422958157 648578823 /nfs/dbraw/zinc/57/88/23/648578823.db2.gz WVKLOADFUYWSLK-ZFWWWQNUSA-N 2 2 384.318 2.443 20 0 GEADLP [NH3+][C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)c2ccccc21 ZINC000423112691 648581588 /nfs/dbraw/zinc/58/15/88/648581588.db2.gz JZVNCRGCTKPAGZ-CVEARBPZSA-N 2 2 383.876 2.492 20 0 GEADLP C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)c1c[nH+]ccc1N ZINC000423113855 648582087 /nfs/dbraw/zinc/58/20/87/648582087.db2.gz ZKEMJSSIOBPBTM-SNVBAGLBSA-N 2 2 389.308 2.430 20 0 GEADLP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000423163927 648585629 /nfs/dbraw/zinc/58/56/29/648585629.db2.gz RUTFGXWFDPFTTE-QRTARXTBSA-N 2 2 385.346 2.265 20 0 GEADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423292144 648589676 /nfs/dbraw/zinc/58/96/76/648589676.db2.gz LQSLKMBJZMDZCL-SNVBAGLBSA-N 2 2 378.336 2.265 20 0 GEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430726485 648766419 /nfs/dbraw/zinc/76/64/19/648766419.db2.gz WGVZJNMWAXAYQA-NTZNESFSSA-N 2 2 390.347 2.230 20 0 GEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430726485 648766424 /nfs/dbraw/zinc/76/64/24/648766424.db2.gz WGVZJNMWAXAYQA-NTZNESFSSA-N 2 2 390.347 2.230 20 0 GEADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C)C[C@@H]3COCC[NH2+]3)nc12 ZINC000643480759 651488667 /nfs/dbraw/zinc/48/86/67/651488667.db2.gz BKMBAWGGIOKDOL-XJKSGUPXSA-N 2 2 381.318 2.304 20 0 GEADLP O=S(=O)(CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Br)c1 ZINC000644524062 651552021 /nfs/dbraw/zinc/55/20/21/651552021.db2.gz OPYVYYOXNHQMFQ-CABCVRRESA-N 2 2 387.343 2.439 20 0 GEADLP O=S(=O)(CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(Br)c1 ZINC000644524062 651552025 /nfs/dbraw/zinc/55/20/25/651552025.db2.gz OPYVYYOXNHQMFQ-CABCVRRESA-N 2 2 387.343 2.439 20 0 GEADLP C[C@@H]1[C@H](C)[S@](=O)CC[NH+]1CCCCCC[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000736628836 651829107 /nfs/dbraw/zinc/82/91/07/651829107.db2.gz KUHCYUPNKYHSHN-CNVIAFHXSA-N 2 2 376.632 2.229 20 0 GEADLP C[C@@H]1[C@H](C)[S@](=O)CC[NH+]1CCCCCC[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000736628836 651829112 /nfs/dbraw/zinc/82/91/12/651829112.db2.gz KUHCYUPNKYHSHN-CNVIAFHXSA-N 2 2 376.632 2.229 20 0 GEADLP C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1CCCCCC[NH+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000736628836 651829115 /nfs/dbraw/zinc/82/91/15/651829115.db2.gz KUHCYUPNKYHSHN-CNVIAFHXSA-N 2 2 376.632 2.229 20 0 GEADLP C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1CCCCCC[NH+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000736628836 651829118 /nfs/dbraw/zinc/82/91/18/651829118.db2.gz KUHCYUPNKYHSHN-CNVIAFHXSA-N 2 2 376.632 2.229 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3nscc3Br)CC2)CC1 ZINC000651207055 651875774 /nfs/dbraw/zinc/87/57/74/651875774.db2.gz GIPSKQXRYDAOKP-UHFFFAOYSA-N 2 2 387.347 2.194 20 0 GEADLP NC(=O)[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348548 651916419 /nfs/dbraw/zinc/91/64/19/651916419.db2.gz HZCCGEZOWFIMAU-HJWJTTGWSA-N 2 2 396.329 2.194 20 0 GEADLP NC(=O)[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348548 651916424 /nfs/dbraw/zinc/91/64/24/651916424.db2.gz HZCCGEZOWFIMAU-HJWJTTGWSA-N 2 2 396.329 2.194 20 0 GEADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(=O)n4cc(Br)ccc4n3)C2)C1 ZINC000573695955 651974558 /nfs/dbraw/zinc/97/45/58/651974558.db2.gz WPNRNYWYRXIQLJ-GOSISDBHSA-N 2 2 391.313 2.375 20 0 GEADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(=O)n4cc(Br)ccc4n3)C2)C1 ZINC000573695955 651974565 /nfs/dbraw/zinc/97/45/65/651974565.db2.gz WPNRNYWYRXIQLJ-GOSISDBHSA-N 2 2 391.313 2.375 20 0 GEADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(=O)n4cc(Br)ccc4n3)C2)C1 ZINC000573695955 651974571 /nfs/dbraw/zinc/97/45/71/651974571.db2.gz WPNRNYWYRXIQLJ-GOSISDBHSA-N 2 2 391.313 2.375 20 0 GEADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(=O)n4cc(Br)ccc4n3)C2)C1 ZINC000573695955 651974580 /nfs/dbraw/zinc/97/45/80/651974580.db2.gz WPNRNYWYRXIQLJ-GOSISDBHSA-N 2 2 391.313 2.375 20 0 GEADLP Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000655718616 652008626 /nfs/dbraw/zinc/00/86/26/652008626.db2.gz CTRJOCNMGBTVBS-INIZCTEOSA-N 2 2 393.329 2.490 20 0 GEADLP Cc1[nH+]cc(C[NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)n1C ZINC000579007204 652310776 /nfs/dbraw/zinc/31/07/76/652310776.db2.gz XPIBOAWGMMUWND-UHFFFAOYSA-N 2 2 382.555 2.297 20 0 GEADLP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000579945138 652360552 /nfs/dbraw/zinc/36/05/52/652360552.db2.gz PEWQKNBMMNGHSS-ZLKJLUDKSA-N 2 2 380.290 2.076 20 0 GEADLP O=C(c1cc(Cl)cc(Cl)c1)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662248915 652454303 /nfs/dbraw/zinc/45/43/03/652454303.db2.gz LWOSJBURQZQWDW-INIZCTEOSA-N 2 2 384.307 2.272 20 0 GEADLP O=C(Nc1ccccc1Br)C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662256527 652454792 /nfs/dbraw/zinc/45/47/92/652454792.db2.gz IXLKGUDPISGVPU-AWEZNQCLSA-N 2 2 382.302 2.088 20 0 GEADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000755787549 652476479 /nfs/dbraw/zinc/47/64/79/652476479.db2.gz APFGHLWSONXTLZ-GFCCVEGCSA-N 2 2 388.269 2.340 20 0 GEADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000755787549 652476482 /nfs/dbraw/zinc/47/64/82/652476482.db2.gz APFGHLWSONXTLZ-GFCCVEGCSA-N 2 2 388.269 2.340 20 0 GEADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccncc2Br)CC1 ZINC000631052526 652519069 /nfs/dbraw/zinc/51/90/69/652519069.db2.gz NCKBPIGSSSJLBL-UHFFFAOYSA-N 2 2 376.302 2.281 20 0 GEADLP C[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc(Br)cn1 ZINC000664792476 652539495 /nfs/dbraw/zinc/53/94/95/652539495.db2.gz PHDNBZOZENQASX-CYBMUJFWSA-N 2 2 386.338 2.088 20 0 GEADLP C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc(Br)cn1 ZINC000664792476 652539498 /nfs/dbraw/zinc/53/94/98/652539498.db2.gz PHDNBZOZENQASX-CYBMUJFWSA-N 2 2 386.338 2.088 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccsc1Br ZINC000664837857 652540469 /nfs/dbraw/zinc/54/04/69/652540469.db2.gz LEMLDCGUVAXCPC-UHFFFAOYSA-N 2 2 377.352 2.193 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccsc1Br ZINC000664837857 652540473 /nfs/dbraw/zinc/54/04/73/652540473.db2.gz LEMLDCGUVAXCPC-UHFFFAOYSA-N 2 2 377.352 2.193 20 0 GEADLP Cc1ccc(Br)c(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000665142166 652546184 /nfs/dbraw/zinc/54/61/84/652546184.db2.gz IZGUAXMZTTWWNI-UHFFFAOYSA-N 2 2 385.350 2.440 20 0 GEADLP Cc1ccc(Br)c(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000665142166 652546187 /nfs/dbraw/zinc/54/61/87/652546187.db2.gz IZGUAXMZTTWWNI-UHFFFAOYSA-N 2 2 385.350 2.440 20 0 GEADLP NC(=O)c1c[nH+]ccc1NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000665755199 652559246 /nfs/dbraw/zinc/55/92/46/652559246.db2.gz CENNZVQZWHNKTG-UHFFFAOYSA-N 2 2 389.297 2.441 20 0 GEADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc(Br)ncc1F ZINC000762744689 652716817 /nfs/dbraw/zinc/71/68/17/652716817.db2.gz FJBKZXUIWHIWRZ-NWDGAFQWSA-N 2 2 387.297 2.221 20 0 GEADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cc(Br)ncc1F ZINC000762744689 652716822 /nfs/dbraw/zinc/71/68/22/652716822.db2.gz FJBKZXUIWHIWRZ-NWDGAFQWSA-N 2 2 387.297 2.221 20 0 GEADLP COCCC[NH+]1CCC([NH2+]Cc2cnn3cc(Br)cnc23)CC1 ZINC000638480989 652890943 /nfs/dbraw/zinc/89/09/43/652890943.db2.gz CRLDENAATAYJMA-UHFFFAOYSA-N 2 2 382.306 2.082 20 0 GEADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000638719806 652904060 /nfs/dbraw/zinc/90/40/60/652904060.db2.gz QDRKTMZFJDERNO-WMLDXEAASA-N 2 2 379.551 2.396 20 0 GEADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000638719806 652904065 /nfs/dbraw/zinc/90/40/65/652904065.db2.gz QDRKTMZFJDERNO-WMLDXEAASA-N 2 2 379.551 2.396 20 0 GEADLP Brc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000675886565 652946383 /nfs/dbraw/zinc/94/63/83/652946383.db2.gz SODHSYUVZAVZTL-HKUYNNGSSA-N 2 2 394.357 2.433 20 0 GEADLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000639766491 652952678 /nfs/dbraw/zinc/95/26/78/652952678.db2.gz PZZMYSVVUJKEBH-RHSMWYFYSA-N 2 2 377.312 2.122 20 0 GEADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000639766491 652952679 /nfs/dbraw/zinc/95/26/79/652952679.db2.gz PZZMYSVVUJKEBH-RHSMWYFYSA-N 2 2 377.312 2.122 20 0 GEADLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000639764602 652952705 /nfs/dbraw/zinc/95/27/05/652952705.db2.gz HLWVBEQAPDQVDL-WMLDXEAASA-N 2 2 377.312 2.122 20 0 GEADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000639764602 652952710 /nfs/dbraw/zinc/95/27/10/652952710.db2.gz HLWVBEQAPDQVDL-WMLDXEAASA-N 2 2 377.312 2.122 20 0 GEADLP Cn1c[nH+]cc1CCCn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641178099 653166512 /nfs/dbraw/zinc/16/65/12/653166512.db2.gz RBBUDOYYTXLVQE-INIZCTEOSA-N 2 2 375.274 2.455 20 0 GEADLP C[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cncc(Br)c1 ZINC000641785826 653233917 /nfs/dbraw/zinc/23/39/17/653233917.db2.gz LKRFHTVEJKMFFQ-YJBOKZPZSA-N 2 2 397.361 2.291 20 0 GEADLP CON(C)C(=O)CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000808759763 653234998 /nfs/dbraw/zinc/23/49/98/653234998.db2.gz WEPRESFIVLTUPY-UHFFFAOYSA-N 2 2 385.262 2.151 20 0 GEADLP CON(C)C(=O)CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000808759763 653235002 /nfs/dbraw/zinc/23/50/02/653235002.db2.gz WEPRESFIVLTUPY-UHFFFAOYSA-N 2 2 385.262 2.151 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC[C@@]3(C)CC3(Cl)Cl)C2)CC1 ZINC000836318651 653344576 /nfs/dbraw/zinc/34/45/76/653344576.db2.gz OLFQPMGCIMLAKY-CJNGLKHVSA-N 2 2 377.360 2.428 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC[C@@]3(C)CC3(Cl)Cl)C2)CC1 ZINC000836318651 653344583 /nfs/dbraw/zinc/34/45/83/653344583.db2.gz OLFQPMGCIMLAKY-CJNGLKHVSA-N 2 2 377.360 2.428 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(Br)cn1 ZINC000876216124 653408928 /nfs/dbraw/zinc/40/89/28/653408928.db2.gz FSLBIHSPVFMPOY-UHFFFAOYSA-N 2 2 398.349 2.012 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(Br)cn1 ZINC000876216124 653408932 /nfs/dbraw/zinc/40/89/32/653408932.db2.gz FSLBIHSPVFMPOY-UHFFFAOYSA-N 2 2 398.349 2.012 20 0 GEADLP CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000860029756 653615337 /nfs/dbraw/zinc/61/53/37/653615337.db2.gz BVFLRNYGFZSEHC-MRXNPFEDSA-N 2 2 378.450 2.148 20 0 GEADLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000841071008 653705746 /nfs/dbraw/zinc/70/57/46/653705746.db2.gz BYYBTLIUWVCCMH-CYBMUJFWSA-N 2 2 395.388 2.413 20 0 GEADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2c(F)cccc2Br)CC1 ZINC000863549271 653715438 /nfs/dbraw/zinc/71/54/38/653715438.db2.gz GJBGQCYEFHYMID-CVEARBPZSA-N 2 2 398.276 2.345 20 0 GEADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cc3sc(=S)[nH]c3C)CC2)CC1 ZINC000817659179 653716994 /nfs/dbraw/zinc/71/69/94/653716994.db2.gz QXCRJVKWIHLPSY-UHFFFAOYSA-N 2 2 382.599 2.301 20 0 GEADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cc3sc(=S)[nH]c3C)CC2)CC1 ZINC000817659179 653716995 /nfs/dbraw/zinc/71/69/95/653716995.db2.gz QXCRJVKWIHLPSY-UHFFFAOYSA-N 2 2 382.599 2.301 20 0 GEADLP O[C@@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000819076689 653742588 /nfs/dbraw/zinc/74/25/88/653742588.db2.gz CWOQLSSGLHXYFX-YJBOKZPZSA-N 2 2 388.339 2.023 20 0 GEADLP C[N@@H+]1CC[C@H](CC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)C1 ZINC000822339584 653824027 /nfs/dbraw/zinc/82/40/27/653824027.db2.gz GXZCDZKZMFSEAH-CQSZACIVSA-N 2 2 395.345 2.481 20 0 GEADLP C[N@H+]1CC[C@H](CC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)C1 ZINC000822339584 653824029 /nfs/dbraw/zinc/82/40/29/653824029.db2.gz GXZCDZKZMFSEAH-CQSZACIVSA-N 2 2 395.345 2.481 20 0 GEADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895684201 653845581 /nfs/dbraw/zinc/84/55/81/653845581.db2.gz BFQFNJXBYPMGJL-ATLLOTDBSA-N 2 2 375.494 2.096 20 0 GEADLP [NH3+]Cc1ocnc1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000884232655 653868985 /nfs/dbraw/zinc/86/89/85/653868985.db2.gz XTBBQFDDAYJJQP-UHFFFAOYSA-N 2 2 393.285 2.290 20 0 GEADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884319303 653872068 /nfs/dbraw/zinc/87/20/68/653872068.db2.gz RRMWJXUPRBKFET-MRXNPFEDSA-N 2 2 398.345 2.266 20 0 GEADLP C[C@@H](CNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884389558 653875163 /nfs/dbraw/zinc/87/51/63/653875163.db2.gz BBRSHRZXTGREKA-JFILPPLUSA-N 2 2 384.318 2.063 20 0 GEADLP C[C@@H](CNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884389558 653875166 /nfs/dbraw/zinc/87/51/66/653875166.db2.gz BBRSHRZXTGREKA-JFILPPLUSA-N 2 2 384.318 2.063 20 0 GEADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000872217577 654316948 /nfs/dbraw/zinc/31/69/48/654316948.db2.gz AATCBCGZUFJMFK-HNNXBMFYSA-N 2 2 384.318 2.213 20 0 GEADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000872217577 654316950 /nfs/dbraw/zinc/31/69/50/654316950.db2.gz AATCBCGZUFJMFK-HNNXBMFYSA-N 2 2 384.318 2.213 20 0 GEADLP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1nc(Br)c[nH]1 ZINC000921981525 654350742 /nfs/dbraw/zinc/35/07/42/654350742.db2.gz VYXMJIXHOZXBHB-HNNXBMFYSA-N 2 2 379.302 2.419 20 0 GEADLP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1nc(Br)c[nH]1 ZINC000921981525 654350748 /nfs/dbraw/zinc/35/07/48/654350748.db2.gz VYXMJIXHOZXBHB-HNNXBMFYSA-N 2 2 379.302 2.419 20 0 GEADLP CCO[C@H](C[NH2+]C[C@](C)(O)c1ccc(Br)cc1F)C[NH+](C)C ZINC000905580330 654367414 /nfs/dbraw/zinc/36/74/14/654367414.db2.gz OHIAFXAYLHEJKW-CJNGLKHVSA-N 2 2 377.298 2.352 20 0 GEADLP Oc1cc(Br)cnc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000893114904 654383148 /nfs/dbraw/zinc/38/31/48/654383148.db2.gz YCGOCJJESFAWLI-JKSUJKDBSA-N 2 2 384.318 2.407 20 0 GEADLP Oc1cc(Br)cnc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000893114901 654383185 /nfs/dbraw/zinc/38/31/85/654383185.db2.gz YCGOCJJESFAWLI-CVEARBPZSA-N 2 2 384.318 2.407 20 0 GEADLP COC(=O)c1cc(Br)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000923332331 654445004 /nfs/dbraw/zinc/44/50/04/654445004.db2.gz LEZGVLKORDFYKF-PSOPSSQASA-N 2 2 383.286 2.413 20 0 GEADLP COC(=O)c1cc(Br)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000923332331 654445006 /nfs/dbraw/zinc/44/50/06/654445006.db2.gz LEZGVLKORDFYKF-PSOPSSQASA-N 2 2 383.286 2.413 20 0 GEADLP COCC[NH2+]C1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000923386737 654447991 /nfs/dbraw/zinc/44/79/91/654447991.db2.gz DULBCEYNUCFRJG-OAHLLOKOSA-N 2 2 377.312 2.434 20 0 GEADLP Cn1ncc(I)c1C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000894199996 654455326 /nfs/dbraw/zinc/45/53/26/654455326.db2.gz ORQDUASOUZNXNF-ZDUSSCGKSA-N 2 2 387.269 2.426 20 0 GEADLP COc1cc(Br)cc(C)c1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000925972747 654555354 /nfs/dbraw/zinc/55/53/54/654555354.db2.gz JYIKWFDSUBRTCV-UHFFFAOYSA-N 2 2 385.306 2.311 20 0 GEADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2cnc(Cl)c(Br)c2)CC1 ZINC000926093065 654558654 /nfs/dbraw/zinc/55/86/54/654558654.db2.gz MGCLHMFRMCSFRS-UHFFFAOYSA-N 2 2 376.686 2.042 20 0 GEADLP Nc1nc(Br)ccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000929418865 654683307 /nfs/dbraw/zinc/68/33/07/654683307.db2.gz NYISPYBKWZFCKK-UHFFFAOYSA-N 2 2 383.334 2.361 20 0 GEADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@](O)(c2ccc(Br)cc2)C1)C1CC1 ZINC000932819438 654792072 /nfs/dbraw/zinc/79/20/72/654792072.db2.gz WZQMNWNRVBPPEH-QZTJIDSGSA-N 2 2 383.330 2.188 20 0 GEADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@](O)(c2ccc(Br)cc2)C1)C1CC1 ZINC000932819438 654792079 /nfs/dbraw/zinc/79/20/79/654792079.db2.gz WZQMNWNRVBPPEH-QZTJIDSGSA-N 2 2 383.330 2.188 20 0 GEADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1)C1CC1 ZINC000932819438 654792080 /nfs/dbraw/zinc/79/20/80/654792080.db2.gz WZQMNWNRVBPPEH-QZTJIDSGSA-N 2 2 383.330 2.188 20 0 GEADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1)C1CC1 ZINC000932819438 654792083 /nfs/dbraw/zinc/79/20/83/654792083.db2.gz WZQMNWNRVBPPEH-QZTJIDSGSA-N 2 2 383.330 2.188 20 0 GEADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(Cl)c(N)[nH+]2)CC1 ZINC001164830293 720353377 /nfs/dbraw/zinc/35/33/77/720353377.db2.gz VTQFWGXHAKHFMQ-HZPDHXFCSA-N 2 2 377.920 2.229 20 0 GEADLP Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3c3cccc(N4CC[NH+](C)CC4)[nH+]3)O2)n1 ZINC001164830092 720406572 /nfs/dbraw/zinc/40/65/72/720406572.db2.gz PRZUVHGXNQDFNC-IKGGRYGDSA-N 2 2 384.484 2.024 20 0 GEADLP CCc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc(C)[nH+]1 ZINC001164746621 720848514 /nfs/dbraw/zinc/84/85/14/720848514.db2.gz PPVBGRRCBUNZKX-IPMKNSEASA-N 2 2 381.528 2.318 20 0 GEADLP CCc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc(C)[nH+]1 ZINC001164746621 720848517 /nfs/dbraw/zinc/84/85/17/720848517.db2.gz PPVBGRRCBUNZKX-IPMKNSEASA-N 2 2 381.528 2.318 20 0 GEADLP C[NH+]1CCN(c2cccc(N3CCC4(CCC(=O)N4CC4CC4)CC3)[nH+]2)CC1 ZINC001164775531 721306892 /nfs/dbraw/zinc/30/68/92/721306892.db2.gz YSAQSOWSHYOAEI-UHFFFAOYSA-N 2 2 383.540 2.205 20 0 GEADLP CN(C)c1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc[nH+]1 ZINC001164959454 722051727 /nfs/dbraw/zinc/05/17/27/722051727.db2.gz JZUQUWFAJNSQAB-UHFFFAOYSA-N 2 2 382.512 2.057 20 0 GEADLP CN(C)c1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc[nH+]1 ZINC001164959454 722051728 /nfs/dbraw/zinc/05/17/28/722051728.db2.gz JZUQUWFAJNSQAB-UHFFFAOYSA-N 2 2 382.512 2.057 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(Br)cc3O)CC2)CC1 ZINC000051463872 531742669 /nfs/dbraw/zinc/74/26/69/531742669.db2.gz NOLHYDHGVUDGLQ-UHFFFAOYSA-N 2 2 396.329 2.443 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Br)cc1O ZINC000094134808 531931896 /nfs/dbraw/zinc/93/18/96/531931896.db2.gz DHRWSLDJOOWKKJ-UHFFFAOYSA-N 2 2 384.318 2.253 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Br)cc1O ZINC000094134808 531931906 /nfs/dbraw/zinc/93/19/06/531931906.db2.gz DHRWSLDJOOWKKJ-UHFFFAOYSA-N 2 2 384.318 2.253 20 0 GEADLP Cc1ccc(NC(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)c(Br)c1 ZINC000174720760 532076122 /nfs/dbraw/zinc/07/61/22/532076122.db2.gz MHGPJZYAGFPSQL-UHFFFAOYSA-N 2 2 397.361 2.265 20 0 GEADLP Cc1ccc(NC(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)c(Br)c1 ZINC000174720760 532076128 /nfs/dbraw/zinc/07/61/28/532076128.db2.gz MHGPJZYAGFPSQL-UHFFFAOYSA-N 2 2 397.361 2.265 20 0 GEADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(Oc3cccc(Br)c3)CC2)CC1 ZINC000183829209 532329435 /nfs/dbraw/zinc/32/94/35/532329435.db2.gz RSTXPCHWENAYHW-UHFFFAOYSA-N 2 2 396.329 2.066 20 0 GEADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2ccc(F)cc2Br)CC1 ZINC000188185858 532347184 /nfs/dbraw/zinc/34/71/84/532347184.db2.gz LAQRTKIBYAKOMS-UHFFFAOYSA-N 2 2 386.309 2.273 20 0 GEADLP Brc1ccc(C[NH2+]CCC[NH+]2CCOCC2)c(N2CCOCC2)c1 ZINC000188687047 532349253 /nfs/dbraw/zinc/34/92/53/532349253.db2.gz LLELLQOAVWYDJW-UHFFFAOYSA-N 2 2 398.345 2.098 20 0 GEADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000647530026 532375034 /nfs/dbraw/zinc/37/50/34/532375034.db2.gz FGDGARPLUSCLLG-KBPBESRZSA-N 2 2 377.312 2.170 20 0 GEADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000647530026 532375039 /nfs/dbraw/zinc/37/50/39/532375039.db2.gz FGDGARPLUSCLLG-KBPBESRZSA-N 2 2 377.312 2.170 20 0 GEADLP OC[C@H]1CC[NH+](Cc2cc(Br)ccc2C[N@H+]2CC[C@H](CO)C2)C1 ZINC000192073569 532383612 /nfs/dbraw/zinc/38/36/12/532383612.db2.gz DOQBPIVSRVENTG-GJZGRUSLSA-N 2 2 383.330 2.078 20 0 GEADLP OC[C@H]1CC[NH+](Cc2cc(Br)ccc2C[N@@H+]2CC[C@H](CO)C2)C1 ZINC000192073569 532383616 /nfs/dbraw/zinc/38/36/16/532383616.db2.gz DOQBPIVSRVENTG-GJZGRUSLSA-N 2 2 383.330 2.078 20 0 GEADLP OC[C@H]1CC[NH+](Cc2ccc(Br)cc2C[N@@H+]2CC[C@H](CO)C2)C1 ZINC000192073569 532383623 /nfs/dbraw/zinc/38/36/23/532383623.db2.gz DOQBPIVSRVENTG-GJZGRUSLSA-N 2 2 383.330 2.078 20 0 GEADLP OC[C@H]1CC[NH+](Cc2ccc(Br)cc2C[N@H+]2CC[C@H](CO)C2)C1 ZINC000192073569 532383628 /nfs/dbraw/zinc/38/36/28/532383628.db2.gz DOQBPIVSRVENTG-GJZGRUSLSA-N 2 2 383.330 2.078 20 0 GEADLP Brc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c(N2CCOCC2)c1 ZINC000427109942 532411320 /nfs/dbraw/zinc/41/13/20/532411320.db2.gz TUTURYKUOYAOAQ-YOEHRIQHSA-N 2 2 380.330 2.470 20 0 GEADLP Brc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c(N2CCOCC2)c1 ZINC000427109942 532411327 /nfs/dbraw/zinc/41/13/27/532411327.db2.gz TUTURYKUOYAOAQ-YOEHRIQHSA-N 2 2 380.330 2.470 20 0 GEADLP C[C@@H]1CN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C[C@@H]1[NH+](C)C ZINC000465285535 532414259 /nfs/dbraw/zinc/41/42/59/532414259.db2.gz MODPZDZSNYVZIC-RISCZKNCSA-N 2 2 380.290 2.188 20 0 GEADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193630549 532427963 /nfs/dbraw/zinc/42/79/63/532427963.db2.gz WHOHRNZPUWYQQC-BMFZPTHFSA-N 2 2 380.330 2.289 20 0 GEADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193630549 532427966 /nfs/dbraw/zinc/42/79/66/532427966.db2.gz WHOHRNZPUWYQQC-BMFZPTHFSA-N 2 2 380.330 2.289 20 0 GEADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193630549 532427969 /nfs/dbraw/zinc/42/79/69/532427969.db2.gz WHOHRNZPUWYQQC-BMFZPTHFSA-N 2 2 380.330 2.289 20 0 GEADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193630549 532427976 /nfs/dbraw/zinc/42/79/76/532427976.db2.gz WHOHRNZPUWYQQC-BMFZPTHFSA-N 2 2 380.330 2.289 20 0 GEADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ncc(Br)cc1F ZINC000427696026 532429855 /nfs/dbraw/zinc/42/98/55/532429855.db2.gz OKFXMRMZGNQDBR-RYUDHWBXSA-N 2 2 387.297 2.221 20 0 GEADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ncc(Br)cc1F ZINC000427696026 532429860 /nfs/dbraw/zinc/42/98/60/532429860.db2.gz OKFXMRMZGNQDBR-RYUDHWBXSA-N 2 2 387.297 2.221 20 0 GEADLP C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428029742 532441276 /nfs/dbraw/zinc/44/12/76/532441276.db2.gz BDTRBVQYUDGCDS-TYNCELHUSA-N 2 2 399.276 2.302 20 0 GEADLP C[C@H](C(=O)Nc1cccc(I)c1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428029742 532441281 /nfs/dbraw/zinc/44/12/81/532441281.db2.gz BDTRBVQYUDGCDS-TYNCELHUSA-N 2 2 399.276 2.302 20 0 GEADLP C[C@H]1CN(CC(=O)NCc2ccc(Cl)s2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000373531994 532455455 /nfs/dbraw/zinc/45/54/55/532455455.db2.gz VMSZRCCUSAKXCN-AWEZNQCLSA-N 2 2 384.977 2.118 20 0 GEADLP C[C@H]1CN(CC(=O)NCc2ccc(Cl)s2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000373531994 532455461 /nfs/dbraw/zinc/45/54/61/532455461.db2.gz VMSZRCCUSAKXCN-AWEZNQCLSA-N 2 2 384.977 2.118 20 0 GEADLP O=C(NC[C@H]1C[NH2+]CCCO1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000519648473 532473236 /nfs/dbraw/zinc/47/32/36/532473236.db2.gz ULWWCEYAQJFZTN-SJORKVTESA-N 2 2 396.329 2.081 20 0 GEADLP Cn1ncc(Br)c1C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000520691180 532496747 /nfs/dbraw/zinc/49/67/47/532496747.db2.gz UVISDYNAQOMCPQ-HNNXBMFYSA-N 2 2 398.374 2.322 20 0 GEADLP CC[NH2+]CCCNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000562813004 532485590 /nfs/dbraw/zinc/48/55/90/532485590.db2.gz XHZZWLHDJUCHPH-UHFFFAOYSA-N 2 2 398.305 2.450 20 0 GEADLP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc(I)c1OC ZINC000237242466 532505791 /nfs/dbraw/zinc/50/57/91/532505791.db2.gz LMFOROLZFQPTSB-LBPRGKRZSA-N 2 2 390.265 2.492 20 0 GEADLP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc(I)c1OC ZINC000237242466 532505798 /nfs/dbraw/zinc/50/57/98/532505798.db2.gz LMFOROLZFQPTSB-LBPRGKRZSA-N 2 2 390.265 2.492 20 0 GEADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000564974915 532540290 /nfs/dbraw/zinc/54/02/90/532540290.db2.gz FAJNWQAYWJGIPT-CABCVRRESA-N 2 2 377.312 2.170 20 0 GEADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000564974915 532540296 /nfs/dbraw/zinc/54/02/96/532540296.db2.gz FAJNWQAYWJGIPT-CABCVRRESA-N 2 2 377.312 2.170 20 0 GEADLP C[NH+](C)Cc1cc(C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)ccc1F ZINC000631073972 532541633 /nfs/dbraw/zinc/54/16/33/532541633.db2.gz RYHDHXJIFIHABH-UHFFFAOYSA-N 2 2 385.892 2.478 20 0 GEADLP Cn1cc[nH+]c1N1CC[NH+](Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000471147524 532543889 /nfs/dbraw/zinc/54/38/89/532543889.db2.gz FJCUMFKGSPVXPP-UHFFFAOYSA-N 2 2 393.285 2.276 20 0 GEADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000653072420 532529531 /nfs/dbraw/zinc/52/95/31/532529531.db2.gz QVODZCZIFWENJL-HUUCEWRRSA-N 2 2 387.311 2.202 20 0 GEADLP COc1ccc(Br)cc1[C@H]1CCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653083910 532530167 /nfs/dbraw/zinc/53/01/67/532530167.db2.gz OFCAEWGFOXXVOS-HUUCEWRRSA-N 2 2 384.318 2.400 20 0 GEADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1cc(Br)ccc1Br ZINC000653150088 532531986 /nfs/dbraw/zinc/53/19/86/532531986.db2.gz RAHIEZGPQTVUMA-GFCCVEGCSA-N 2 2 393.123 2.107 20 0 GEADLP Cc1cc(Br)cn2cc(C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)nc12 ZINC000564825512 532532989 /nfs/dbraw/zinc/53/29/89/532532989.db2.gz MJVNFCUAEHZHMO-CVEARBPZSA-N 2 2 379.302 2.262 20 0 GEADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](Nc1nc(C)[nH+]c(C)c1Br)C2 ZINC000631330995 532554633 /nfs/dbraw/zinc/55/46/33/532554633.db2.gz ZUIUUCABPCTMJL-GFCCVEGCSA-N 2 2 380.290 2.323 20 0 GEADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Br)cnc3OC)C2)CC1 ZINC000595314140 532555365 /nfs/dbraw/zinc/55/53/65/532555365.db2.gz PZMMAVQZANIYRM-MRXNPFEDSA-N 2 2 383.334 2.065 20 0 GEADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Br)cnc3OC)C2)CC1 ZINC000595314140 532555371 /nfs/dbraw/zinc/55/53/71/532555371.db2.gz PZMMAVQZANIYRM-MRXNPFEDSA-N 2 2 383.334 2.065 20 0 GEADLP C[C@@H]1C[C@H](O)C[NH+]1Cc1cc(Br)ccc1C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000433240988 532559644 /nfs/dbraw/zinc/55/96/44/532559644.db2.gz AMLUIELGWWLLQB-OSLDLMBLSA-N 2 2 383.330 2.359 20 0 GEADLP C[C@@H]1C[C@H](O)C[NH+]1Cc1cc(Br)ccc1C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000433240988 532559645 /nfs/dbraw/zinc/55/96/45/532559645.db2.gz AMLUIELGWWLLQB-OSLDLMBLSA-N 2 2 383.330 2.359 20 0 GEADLP C[C@@H]1C[C@H](O)C[NH+]1Cc1ccc(Br)cc1C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000433240988 532559650 /nfs/dbraw/zinc/55/96/50/532559650.db2.gz AMLUIELGWWLLQB-OSLDLMBLSA-N 2 2 383.330 2.359 20 0 GEADLP C[C@@H]1C[C@H](O)C[NH+]1Cc1ccc(Br)cc1C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000433240988 532559654 /nfs/dbraw/zinc/55/96/54/532559654.db2.gz AMLUIELGWWLLQB-OSLDLMBLSA-N 2 2 383.330 2.359 20 0 GEADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H](c2nccs2)C(F)(F)F)CC1 ZINC000297035510 532562136 /nfs/dbraw/zinc/56/21/36/532562136.db2.gz RHOJPTPJTGWWJY-LBPRGKRZSA-N 2 2 379.452 2.072 20 0 GEADLP O=S(=O)(c1ccc(Cl)s1)N1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000262043086 532583444 /nfs/dbraw/zinc/58/34/44/532583444.db2.gz YPLDOOZRXBFDDM-CYBMUJFWSA-N 2 2 377.963 2.098 20 0 GEADLP O=S(=O)(c1ccc(Cl)s1)N1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000262043086 532583450 /nfs/dbraw/zinc/58/34/50/532583450.db2.gz YPLDOOZRXBFDDM-CYBMUJFWSA-N 2 2 377.963 2.098 20 0 GEADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2nnc(S(C)(=O)=O)s2)cc1 ZINC000375671716 532574364 /nfs/dbraw/zinc/57/43/64/532574364.db2.gz JAZDWURNUHGPAW-NSHDSACASA-N 2 2 377.495 2.287 20 0 GEADLP C[C@@]([NH3+])(C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Br)cc1 ZINC000261677172 532575754 /nfs/dbraw/zinc/57/57/54/532575754.db2.gz GNHVKBYBPGXJFX-SFHVURJKSA-N 2 2 389.297 2.367 20 0 GEADLP Fc1cccc(Br)c1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000376569399 532618297 /nfs/dbraw/zinc/61/82/97/532618297.db2.gz GKMKVPTVWZRJGV-AWEZNQCLSA-N 2 2 386.309 2.084 20 0 GEADLP C[NH+](C)C1CC[NH+](CCNc2ncc3scc(Br)c3n2)CC1 ZINC000566485576 532612868 /nfs/dbraw/zinc/61/28/68/532612868.db2.gz NOLLFJYERXAECP-UHFFFAOYSA-N 2 2 384.347 2.892 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)NCC3=CC[NH2+]CC3)[nH+]c12 ZINC000566727949 532626473 /nfs/dbraw/zinc/62/64/73/532626473.db2.gz ZEOYHTSPGPYRJF-UHFFFAOYSA-N 2 2 378.274 2.124 20 0 GEADLP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3nc4ccccn4c3Br)C2)CC1 ZINC000377543113 532660235 /nfs/dbraw/zinc/66/02/35/532660235.db2.gz PLROWHWUXUXNID-CQSZACIVSA-N 2 2 392.345 2.355 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NCc3nc4ccccn4c3Br)C2)CC1 ZINC000377543113 532660241 /nfs/dbraw/zinc/66/02/41/532660241.db2.gz PLROWHWUXUXNID-CQSZACIVSA-N 2 2 392.345 2.355 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NCc3nc4ccccn4c3Br)C2)CC1 ZINC000377543113 532660247 /nfs/dbraw/zinc/66/02/47/532660247.db2.gz PLROWHWUXUXNID-CQSZACIVSA-N 2 2 392.345 2.355 20 0 GEADLP CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000377618000 532665287 /nfs/dbraw/zinc/66/52/87/532665287.db2.gz BNMUXQORXXCKDK-QAPCUYQASA-N 2 2 385.599 2.410 20 0 GEADLP CC1(C)CC[NH+](CCCC[N@@H+]2CC[S@@](=O)C(C)(C)CC2)CC[S@]1=O ZINC000567348509 532650441 /nfs/dbraw/zinc/65/04/41/532650441.db2.gz DQVJKGDZSPTOFV-ZEQRLZLVSA-N 2 2 376.632 2.233 20 0 GEADLP CC1(C)CC[NH+](CCCC[N@H+]2CC[S@@](=O)C(C)(C)CC2)CC[S@]1=O ZINC000567348509 532650443 /nfs/dbraw/zinc/65/04/43/532650443.db2.gz DQVJKGDZSPTOFV-ZEQRLZLVSA-N 2 2 376.632 2.233 20 0 GEADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)NCc3cn4cc(Br)ccc4[nH+]3)C2)C1 ZINC000488018435 532699210 /nfs/dbraw/zinc/69/92/10/532699210.db2.gz RXXVEQOUJGGKJM-QGZVFWFLSA-N 2 2 392.301 2.334 20 0 GEADLP C[N@H+]1CC[C@@]2(CCN(C(=O)NCc3cn4cc(Br)ccc4[nH+]3)C2)C1 ZINC000488018435 532699217 /nfs/dbraw/zinc/69/92/17/532699217.db2.gz RXXVEQOUJGGKJM-QGZVFWFLSA-N 2 2 392.301 2.334 20 0 GEADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000638788649 532687309 /nfs/dbraw/zinc/68/73/09/532687309.db2.gz OBPORXUDQQHOBZ-ZDUSSCGKSA-N 2 2 380.539 2.106 20 0 GEADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cc3c(c(Br)c1)OCO3)CCO2 ZINC000646104596 532723711 /nfs/dbraw/zinc/72/37/11/532723711.db2.gz RUFQTTJHBJPPIM-UHFFFAOYSA-N 2 2 383.286 2.474 20 0 GEADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc3c(c(Br)c1)OCO3)CCO2 ZINC000646104596 532723715 /nfs/dbraw/zinc/72/37/15/532723715.db2.gz RUFQTTJHBJPPIM-UHFFFAOYSA-N 2 2 383.286 2.474 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1cccc(Br)c1 ZINC000299569597 532727116 /nfs/dbraw/zinc/72/71/16/532727116.db2.gz BZLQLRVFBYZUBD-UHFFFAOYSA-N 2 2 382.346 2.476 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1cccc(Br)c1 ZINC000299569597 532727121 /nfs/dbraw/zinc/72/71/21/532727121.db2.gz BZLQLRVFBYZUBD-UHFFFAOYSA-N 2 2 382.346 2.476 20 0 GEADLP CO[C@H](C[NH3+])CC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000576224821 532727334 /nfs/dbraw/zinc/72/73/34/532727334.db2.gz DTPSIVDFVYPWEW-HNNXBMFYSA-N 2 2 395.301 2.038 20 0 GEADLP COc1ccc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1Br ZINC000501152456 532738431 /nfs/dbraw/zinc/73/84/31/532738431.db2.gz YARMALJUFPNBTB-UHFFFAOYSA-N 2 2 399.329 2.117 20 0 GEADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCc2ccc(Br)cc2)CC1 ZINC000303339847 532776317 /nfs/dbraw/zinc/77/63/17/532776317.db2.gz VWJOJZRPELDWSU-HNNXBMFYSA-N 2 2 382.346 2.476 20 0 GEADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCc2ccc(Br)cc2)CC1 ZINC000303339847 532776319 /nfs/dbraw/zinc/77/63/19/532776319.db2.gz VWJOJZRPELDWSU-HNNXBMFYSA-N 2 2 382.346 2.476 20 0 GEADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)Nc1cccc(I)c1)C2 ZINC000313841639 532780201 /nfs/dbraw/zinc/78/02/01/532780201.db2.gz AXBSMVLHMXOEQZ-LRDDRELGSA-N 2 2 399.276 2.291 20 0 GEADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)Nc1cccc(I)c1)C2 ZINC000313841639 532780205 /nfs/dbraw/zinc/78/02/05/532780205.db2.gz AXBSMVLHMXOEQZ-LRDDRELGSA-N 2 2 399.276 2.291 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3CCC[N@@H+](C)CC3)[nH+]c12 ZINC000273598549 532827496 /nfs/dbraw/zinc/82/74/96/532827496.db2.gz XMJZMIMEPIOYFC-UHFFFAOYSA-N 2 2 394.317 2.295 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3CCC[N@H+](C)CC3)[nH+]c12 ZINC000273598549 532827497 /nfs/dbraw/zinc/82/74/97/532827497.db2.gz XMJZMIMEPIOYFC-UHFFFAOYSA-N 2 2 394.317 2.295 20 0 GEADLP COC[C@]1(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CCC[NH2+]1 ZINC000414943205 532836110 /nfs/dbraw/zinc/83/61/10/532836110.db2.gz CRMJIAKBPPYLMY-GOSISDBHSA-N 2 2 398.345 2.144 20 0 GEADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000414967139 532836238 /nfs/dbraw/zinc/83/62/38/532836238.db2.gz POSNEPUMRWHMOR-LLVKDONJSA-N 2 2 377.124 2.205 20 0 GEADLP CCCOc1c(Br)cc(C[NH2+]C[C@H]2C[NH2+]CCN2C)cc1OC ZINC000414967194 532836891 /nfs/dbraw/zinc/83/68/91/532836891.db2.gz PSOHOOCQVIIGIB-CQSZACIVSA-N 2 2 386.334 2.240 20 0 GEADLP COc1ccc(Br)cc1C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415124951 532837990 /nfs/dbraw/zinc/83/79/90/532837990.db2.gz KPMNEJVQBKJHQE-HNNXBMFYSA-N 2 2 380.290 2.345 20 0 GEADLP COc1ccc(Br)cc1C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415124951 532837993 /nfs/dbraw/zinc/83/79/93/532837993.db2.gz KPMNEJVQBKJHQE-HNNXBMFYSA-N 2 2 380.290 2.345 20 0 GEADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3cc4c(cc3Br)OCO4)C2)nn1 ZINC000415133789 532838491 /nfs/dbraw/zinc/83/84/91/532838491.db2.gz VMRHUAFMAVULTD-ZDUSSCGKSA-N 2 2 394.273 2.065 20 0 GEADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3cc4c(cc3Br)OCO4)C2)nn1 ZINC000415133789 532838496 /nfs/dbraw/zinc/83/84/96/532838496.db2.gz VMRHUAFMAVULTD-ZDUSSCGKSA-N 2 2 394.273 2.065 20 0 GEADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3cc4c(c(Br)c3)OCO4)C2)nn1 ZINC000415127445 532838562 /nfs/dbraw/zinc/83/85/62/532838562.db2.gz NCHQMSFNRPRCBS-ZDUSSCGKSA-N 2 2 394.273 2.065 20 0 GEADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3cc4c(c(Br)c3)OCO4)C2)nn1 ZINC000415127445 532838565 /nfs/dbraw/zinc/83/85/65/532838565.db2.gz NCHQMSFNRPRCBS-ZDUSSCGKSA-N 2 2 394.273 2.065 20 0 GEADLP O=C1N[C@H]2C[N@H+](Cc3sccc3Br)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415136494 532839025 /nfs/dbraw/zinc/83/90/25/532839025.db2.gz HOTQHRXIKPMSBZ-UONOGXRCSA-N 2 2 399.358 2.231 20 0 GEADLP O=C1N[C@H]2C[N@@H+](Cc3sccc3Br)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415136494 532839028 /nfs/dbraw/zinc/83/90/28/532839028.db2.gz HOTQHRXIKPMSBZ-UONOGXRCSA-N 2 2 399.358 2.231 20 0 GEADLP O=C1N[C@H]2C[N@H+](Cc3sccc3Br)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415136490 532839046 /nfs/dbraw/zinc/83/90/46/532839046.db2.gz HOTQHRXIKPMSBZ-KBPBESRZSA-N 2 2 399.358 2.231 20 0 GEADLP O=C1N[C@H]2C[N@@H+](Cc3sccc3Br)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415136490 532839049 /nfs/dbraw/zinc/83/90/49/532839049.db2.gz HOTQHRXIKPMSBZ-KBPBESRZSA-N 2 2 399.358 2.231 20 0 GEADLP Cc1cccc(NC2CC[NH+](CC(=O)N3CC(=O)Nc4ccccc43)CC2)[nH+]1 ZINC000359883667 206268038 /nfs/dbraw/zinc/26/80/38/206268038.db2.gz XEPOCOFKEKFYJX-UHFFFAOYSA-N 2 2 379.464 2.252 20 0 GEADLP Cn1c2cc(Br)ccc2nc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000275042589 532862217 /nfs/dbraw/zinc/86/22/17/532862217.db2.gz YSYUBTOCVVHESA-UHFFFAOYSA-N 2 2 394.361 2.405 20 0 GEADLP Cn1c2cc(Br)ccc2nc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000275042589 532862220 /nfs/dbraw/zinc/86/22/20/532862220.db2.gz YSYUBTOCVVHESA-UHFFFAOYSA-N 2 2 394.361 2.405 20 0 GEADLP [NH3+]CC[C@@H](NC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1)C(F)(F)F ZINC000416001686 532862484 /nfs/dbraw/zinc/86/24/84/532862484.db2.gz CTDOCRNLSAUNGP-CQSZACIVSA-N 2 2 378.826 2.447 20 0 GEADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccc(Br)s3)CC2)CC1 ZINC000289968856 532869212 /nfs/dbraw/zinc/86/92/12/532869212.db2.gz ZAFWTVAKSDVCPD-UHFFFAOYSA-N 2 2 386.359 2.497 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@]4(CC[NH2+]C4)C3)[nH+]c12 ZINC000333852516 532873937 /nfs/dbraw/zinc/87/39/37/532873937.db2.gz XOGROQBLOPJQQS-KRWDZBQOSA-N 2 2 392.301 2.300 20 0 GEADLP CC(C)([NH3+])CNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000418427287 532880815 /nfs/dbraw/zinc/88/08/15/532880815.db2.gz KTZGSDYPQZYQRH-UHFFFAOYSA-N 2 2 384.278 2.188 20 0 GEADLP CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000364204871 532904776 /nfs/dbraw/zinc/90/47/76/532904776.db2.gz CAEKJFYXEGLXBA-GFCCVEGCSA-N 2 2 398.349 2.194 20 0 GEADLP CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000364204871 532904778 /nfs/dbraw/zinc/90/47/78/532904778.db2.gz CAEKJFYXEGLXBA-GFCCVEGCSA-N 2 2 398.349 2.194 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccccc3Br)C2)CC1 ZINC000365258390 532909307 /nfs/dbraw/zinc/90/93/07/532909307.db2.gz FGVVZLMVCWSSMY-OAHLLOKOSA-N 2 2 395.345 2.417 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ccccc3Br)C2)CC1 ZINC000365258390 532909309 /nfs/dbraw/zinc/90/93/09/532909309.db2.gz FGVVZLMVCWSSMY-OAHLLOKOSA-N 2 2 395.345 2.417 20 0 GEADLP Cc1ccccc1N1CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000029122381 207355984 /nfs/dbraw/zinc/35/59/84/207355984.db2.gz SMRAFMKUCBKZEF-UHFFFAOYSA-N 2 2 392.547 2.461 20 0 GEADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]C[C@H](O)COCC(F)(F)F)[C@H](C)C2)s1 ZINC000366590400 532919190 /nfs/dbraw/zinc/91/91/90/532919190.db2.gz ICVVEFNKSJRYNN-ZLDLUXBVSA-N 2 2 381.464 2.191 20 0 GEADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]C[C@H](O)COCC(F)(F)F)[C@H](C)C2)s1 ZINC000366590400 532919191 /nfs/dbraw/zinc/91/91/91/532919191.db2.gz ICVVEFNKSJRYNN-ZLDLUXBVSA-N 2 2 381.464 2.191 20 0 GEADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000368103234 532930090 /nfs/dbraw/zinc/93/00/90/532930090.db2.gz UFHNGUCBTPOFKU-ONGXEEELSA-N 2 2 399.314 2.028 20 0 GEADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000368103234 532930091 /nfs/dbraw/zinc/93/00/91/532930091.db2.gz UFHNGUCBTPOFKU-ONGXEEELSA-N 2 2 399.314 2.028 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(Br)cc3F)C2)CC1 ZINC000369275813 532937722 /nfs/dbraw/zinc/93/77/22/532937722.db2.gz YXNWJARUXJMLCC-CYBMUJFWSA-N 2 2 384.293 2.487 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(Br)cc3F)C2)CC1 ZINC000369275813 532937724 /nfs/dbraw/zinc/93/77/24/532937724.db2.gz YXNWJARUXJMLCC-CYBMUJFWSA-N 2 2 384.293 2.487 20 0 GEADLP CN(C(=O)c1cc(Br)cn1C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371627855 532949145 /nfs/dbraw/zinc/94/91/45/532949145.db2.gz NCAMQXHAGZMOTI-OAHLLOKOSA-N 2 2 383.334 2.028 20 0 GEADLP CN(C(=O)c1cc(Br)cn1C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371627855 532949146 /nfs/dbraw/zinc/94/91/46/532949146.db2.gz NCAMQXHAGZMOTI-OAHLLOKOSA-N 2 2 383.334 2.028 20 0 GEADLP C[C@@H]1C[N@H+](C(C)(C)CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C[C@H](C)O1 ZINC000736290837 599261323 /nfs/dbraw/zinc/26/13/23/599261323.db2.gz KAMIMGLDFYRQEP-OKILXGFUSA-N 2 2 381.484 2.137 20 0 GEADLP C[C@@H]1C[N@@H+](C(C)(C)CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C[C@H](C)O1 ZINC000736290837 599261327 /nfs/dbraw/zinc/26/13/27/599261327.db2.gz KAMIMGLDFYRQEP-OKILXGFUSA-N 2 2 381.484 2.137 20 0 GEADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737503348 598356580 /nfs/dbraw/zinc/35/65/80/598356580.db2.gz URNMQAGQDOXLGU-DZGCQCFKSA-N 2 2 380.456 2.036 20 0 GEADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737503348 598356582 /nfs/dbraw/zinc/35/65/82/598356582.db2.gz URNMQAGQDOXLGU-DZGCQCFKSA-N 2 2 380.456 2.036 20 0 GEADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)c2c1 ZINC000737248859 599320459 /nfs/dbraw/zinc/32/04/59/599320459.db2.gz NIRITVHAGGOCBT-ROUUACIJSA-N 2 2 393.495 2.067 20 0 GEADLP c1cc2c(s1)CC[N@@H+](CCNc1c(-c3nn[nH]n3)c[nH+]c3ccccc31)C2 ZINC000823796512 599491969 /nfs/dbraw/zinc/49/19/69/599491969.db2.gz CSKZMQJBYISUCR-UHFFFAOYSA-N 2 2 377.477 2.369 20 0 GEADLP c1cc2c(s1)CC[N@H+](CCNc1c(-c3nn[nH]n3)c[nH+]c3ccccc31)C2 ZINC000823796512 599491971 /nfs/dbraw/zinc/49/19/71/599491971.db2.gz CSKZMQJBYISUCR-UHFFFAOYSA-N 2 2 377.477 2.369 20 0 GEADLP COc1cc[nH+]c(N2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)c1 ZINC000821903840 599529106 /nfs/dbraw/zinc/52/91/06/599529106.db2.gz MNRZFWARSBRTDO-UHFFFAOYSA-N 2 2 388.435 2.145 20 0 GEADLP C[C@@H]1C[C@H](Nc2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)CC[N@@H+]1C ZINC000820666267 599590057 /nfs/dbraw/zinc/59/00/57/599590057.db2.gz HLTFPNSVJUMTSU-GHMZBOCLSA-N 2 2 389.410 2.333 20 0 GEADLP C[C@@H]1C[C@H](Nc2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)CC[N@H+]1C ZINC000820666267 599590059 /nfs/dbraw/zinc/59/00/59/599590059.db2.gz HLTFPNSVJUMTSU-GHMZBOCLSA-N 2 2 389.410 2.333 20 0 GEADLP Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000822743779 607472562 /nfs/dbraw/zinc/47/25/62/607472562.db2.gz FTQCVIABVOKGFC-UHFFFAOYSA-N 2 2 382.443 2.128 20 0 GEADLP COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000826176035 607477424 /nfs/dbraw/zinc/47/74/24/607477424.db2.gz YIIJNSJTYUVCAS-FUHWJXTLSA-N 2 2 398.511 2.203 20 0 GEADLP COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000826176035 607477425 /nfs/dbraw/zinc/47/74/25/607477425.db2.gz YIIJNSJTYUVCAS-FUHWJXTLSA-N 2 2 398.511 2.203 20 0 GEADLP COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000826176035 607477426 /nfs/dbraw/zinc/47/74/26/607477426.db2.gz YIIJNSJTYUVCAS-FUHWJXTLSA-N 2 2 398.511 2.203 20 0 GEADLP COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000826176035 607477427 /nfs/dbraw/zinc/47/74/27/607477427.db2.gz YIIJNSJTYUVCAS-FUHWJXTLSA-N 2 2 398.511 2.203 20 0 GEADLP O=C(CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407291 607478013 /nfs/dbraw/zinc/47/80/13/607478013.db2.gz HUBHYVSALVJKJY-APWZRJJASA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407291 607478014 /nfs/dbraw/zinc/47/80/14/607478014.db2.gz HUBHYVSALVJKJY-APWZRJJASA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407291 607478015 /nfs/dbraw/zinc/47/80/15/607478015.db2.gz HUBHYVSALVJKJY-APWZRJJASA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407291 607478016 /nfs/dbraw/zinc/47/80/16/607478016.db2.gz HUBHYVSALVJKJY-APWZRJJASA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407292 607478090 /nfs/dbraw/zinc/47/80/90/607478090.db2.gz HUBHYVSALVJKJY-LPHOPBHVSA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407292 607478092 /nfs/dbraw/zinc/47/80/92/607478092.db2.gz HUBHYVSALVJKJY-LPHOPBHVSA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407292 607478094 /nfs/dbraw/zinc/47/80/94/607478094.db2.gz HUBHYVSALVJKJY-LPHOPBHVSA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407292 607478095 /nfs/dbraw/zinc/47/80/95/607478095.db2.gz HUBHYVSALVJKJY-LPHOPBHVSA-N 2 2 395.511 2.144 20 0 GEADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)c2ccccc2)CC1 ZINC000821627003 607479047 /nfs/dbraw/zinc/47/90/47/607479047.db2.gz IWHXZERDMAISGM-FQEVSTJZSA-N 2 2 395.486 2.084 20 0 GEADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C3CC[NH+](CCCC(=O)[O-])CC3)c2)CCO1 ZINC000833629460 605219600 /nfs/dbraw/zinc/21/96/00/605219600.db2.gz IXRNDKGTMKVHBE-GOSISDBHSA-N 2 2 389.540 2.326 20 0 GEADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CC[NH+](CCCC(=O)[O-])CC3)c2)CCO1 ZINC000833629460 605219602 /nfs/dbraw/zinc/21/96/02/605219602.db2.gz IXRNDKGTMKVHBE-GOSISDBHSA-N 2 2 389.540 2.326 20 0 GEADLP C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000821609759 606076185 /nfs/dbraw/zinc/07/61/85/606076185.db2.gz KUXRJINMNAFLAB-UHFFFAOYSA-N 2 2 377.496 2.401 20 0 GEADLP C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000821609759 606076189 /nfs/dbraw/zinc/07/61/89/606076189.db2.gz KUXRJINMNAFLAB-UHFFFAOYSA-N 2 2 377.496 2.401 20 0 GEADLP C[NH+](C)C1CC[NH+](CCNc2ccc(-c3nn[nH]n3)cc2C(F)(F)F)CC1 ZINC000821582994 606402786 /nfs/dbraw/zinc/40/27/86/606402786.db2.gz FFNHXIFHEBTMRH-UHFFFAOYSA-N 2 2 383.422 2.323 20 0 GEADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000822477288 606617474 /nfs/dbraw/zinc/61/74/74/606617474.db2.gz KNJUQJAVAWZSNQ-MRXNPFEDSA-N 2 2 391.439 2.086 20 0 GEADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000822477288 606617476 /nfs/dbraw/zinc/61/74/76/606617476.db2.gz KNJUQJAVAWZSNQ-MRXNPFEDSA-N 2 2 391.439 2.086 20 0 GEADLP C[NH+](C)C1CCN(c2ccc(NCc3cc(-c4nn[nH]n4)cs3)[nH+]c2)CC1 ZINC000821583196 607229776 /nfs/dbraw/zinc/22/97/76/607229776.db2.gz LYECTDLUDIPLSE-UHFFFAOYSA-N 2 2 384.513 2.466 20 0 GEADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000826523732 607850124 /nfs/dbraw/zinc/85/01/24/607850124.db2.gz WFGKYKLTZUUJIO-MRXNPFEDSA-N 2 2 393.495 2.496 20 0 GEADLP CC(=O)NCC[N@@H+](CCc1c[nH+]cn1C)Cc1ccc(Br)s1 ZINC000459444393 650424460 /nfs/dbraw/zinc/42/44/60/650424460.db2.gz FUYAKOXUAMCIOH-UHFFFAOYSA-N 2 2 385.331 2.425 20 0 GEADLP CC(=O)NCC[N@H+](CCc1c[nH+]cn1C)Cc1ccc(Br)s1 ZINC000459444393 650424464 /nfs/dbraw/zinc/42/44/64/650424464.db2.gz FUYAKOXUAMCIOH-UHFFFAOYSA-N 2 2 385.331 2.425 20 0 GEADLP C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)N1CC[NH+](C)CC1 ZINC000469498622 650510744 /nfs/dbraw/zinc/51/07/44/650510744.db2.gz ZGIRZBLAVKCCNZ-ZDUSSCGKSA-N 2 2 383.334 2.085 20 0 GEADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000513964723 650572412 /nfs/dbraw/zinc/57/24/12/650572412.db2.gz NBGRYBWOESPWGI-UHFFFAOYSA-N 2 2 387.311 2.028 20 0 GEADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000513964723 650572416 /nfs/dbraw/zinc/57/24/16/650572416.db2.gz NBGRYBWOESPWGI-UHFFFAOYSA-N 2 2 387.311 2.028 20 0 GEADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000530213028 650718146 /nfs/dbraw/zinc/71/81/46/650718146.db2.gz UDSWGELTVZBZQP-LLVKDONJSA-N 2 2 376.245 2.014 20 0 GEADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000530213028 650718150 /nfs/dbraw/zinc/71/81/50/650718150.db2.gz UDSWGELTVZBZQP-LLVKDONJSA-N 2 2 376.245 2.014 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)[nH+]c12 ZINC000487143753 650729575 /nfs/dbraw/zinc/72/95/75/650729575.db2.gz XHHNLZIDYHIVER-SWLSCSKDSA-N 2 2 379.302 2.262 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)[nH+]c12 ZINC000487143753 650729576 /nfs/dbraw/zinc/72/95/76/650729576.db2.gz XHHNLZIDYHIVER-SWLSCSKDSA-N 2 2 379.302 2.262 20 0 GEADLP C[NH+](C)CCCNC(=S)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000044511942 642580000 /nfs/dbraw/zinc/58/00/00/642580000.db2.gz DWHGGHRDIGZGNS-UHFFFAOYSA-N 2 2 384.977 2.163 20 0 GEADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N(C)Cc3ccc(Cl)s3)C2)CC1 ZINC000107369807 643255235 /nfs/dbraw/zinc/25/52/35/643255235.db2.gz VVZBQABBGRSWQG-OAHLLOKOSA-N 2 2 384.977 2.072 20 0 GEADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N(C)Cc3ccc(Cl)s3)C2)CC1 ZINC000107369807 643255249 /nfs/dbraw/zinc/25/52/49/643255249.db2.gz VVZBQABBGRSWQG-OAHLLOKOSA-N 2 2 384.977 2.072 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccnc1Br ZINC000119979654 643583592 /nfs/dbraw/zinc/58/35/92/643583592.db2.gz YPPHNBVXBVJMKA-UHFFFAOYSA-N 2 2 384.322 2.334 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccnc1Br ZINC000119979654 643583594 /nfs/dbraw/zinc/58/35/94/643583594.db2.gz YPPHNBVXBVJMKA-UHFFFAOYSA-N 2 2 384.322 2.334 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(Br)c(O)c3)CC2)CC1 ZINC000127460392 643776248 /nfs/dbraw/zinc/77/62/48/643776248.db2.gz YXSDWJYXANRWQU-UHFFFAOYSA-N 2 2 396.329 2.443 20 0 GEADLP CCOc1cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc(Br)c1OC ZINC000131407735 643872646 /nfs/dbraw/zinc/87/26/46/643872646.db2.gz MGRJVKKEGJUJTE-MRXNPFEDSA-N 2 2 375.307 2.259 20 0 GEADLP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1Br ZINC000268944097 646008362 /nfs/dbraw/zinc/00/83/62/646008362.db2.gz TXWFHDUNLLRFAF-DOMZBBRYSA-N 2 2 384.318 2.448 20 0 GEADLP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1Br ZINC000268944097 646008367 /nfs/dbraw/zinc/00/83/67/646008367.db2.gz TXWFHDUNLLRFAF-DOMZBBRYSA-N 2 2 384.318 2.448 20 0 GEADLP C[NH+](C)CC(=O)N1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000411164305 648025227 /nfs/dbraw/zinc/02/52/27/648025227.db2.gz LWPGCWBRBRMSLE-UHFFFAOYSA-N 2 2 387.311 2.028 20 0 GEADLP C[N@@H+]1CC[C@@H](CNC(=O)NCC(F)(F)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417952939 648267332 /nfs/dbraw/zinc/26/73/32/648267332.db2.gz OWFYDLXISIRUMJ-SMDDNHRTSA-N 2 2 378.826 2.365 20 0 GEADLP C[N@H+]1CC[C@@H](CNC(=O)NCC(F)(F)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417952939 648267338 /nfs/dbraw/zinc/26/73/38/648267338.db2.gz OWFYDLXISIRUMJ-SMDDNHRTSA-N 2 2 378.826 2.365 20 0 GEADLP C[NH2+][C@@H]1CCCN(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000418017878 648270485 /nfs/dbraw/zinc/27/04/85/648270485.db2.gz HUZSORMXVCQQPD-CQSZACIVSA-N 2 2 394.317 2.341 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CC[NH2+]C[C@H]3C)[nH+]c12 ZINC000418017930 648270490 /nfs/dbraw/zinc/27/04/90/648270490.db2.gz HYHKZFUHYBDOJF-DOMZBBRYSA-N 2 2 394.317 2.245 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)[nH+]c12 ZINC000418016693 648270516 /nfs/dbraw/zinc/27/05/16/648270516.db2.gz GDODNPAGKVSRMX-GXTWGEPZSA-N 2 2 394.317 2.387 20 0 GEADLP CC[NH2+][C@H](C)CNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000418019146 648270973 /nfs/dbraw/zinc/27/09/73/648270973.db2.gz KHBSYJNUIGSGPK-GFCCVEGCSA-N 2 2 382.306 2.245 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@@H]([C@@H](C)[NH3+])C3)[nH+]c12 ZINC000418020864 648271409 /nfs/dbraw/zinc/27/14/09/648271409.db2.gz OHSBYDVLVPOBNW-CHWSQXEVSA-N 2 2 394.317 2.326 20 0 GEADLP CC(C)[C@H]([NH3+])CNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000418396662 648296676 /nfs/dbraw/zinc/29/66/76/648296676.db2.gz CULHTKDFHXUYPI-CQSZACIVSA-N 2 2 398.305 2.434 20 0 GEADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000423170269 648586649 /nfs/dbraw/zinc/58/66/49/648586649.db2.gz LMNPZGIAWXLIBF-HACGYAERSA-N 2 2 389.309 2.096 20 0 GEADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1cccc(I)c1 ZINC000424331180 648623156 /nfs/dbraw/zinc/62/31/56/648623156.db2.gz IZNNDQCHKHKZJS-LERXQTSPSA-N 2 2 387.265 2.478 20 0 GEADLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2cccc(I)c2)CC1 ZINC000551186667 651119420 /nfs/dbraw/zinc/11/94/20/651119420.db2.gz NTXNJZXVCBDTQU-MRXNPFEDSA-N 2 2 388.293 2.474 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)NC[C@@H]3CCC[NH2+]C3)[nH+]c12 ZINC000561188280 651476423 /nfs/dbraw/zinc/47/64/23/651476423.db2.gz VUPHYMRASHPOBQ-CYBMUJFWSA-N 2 2 394.317 2.247 20 0 GEADLP O[C@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)COc1cc(F)cc(Br)c1 ZINC000563705082 651538690 /nfs/dbraw/zinc/53/86/90/651538690.db2.gz DRBOADAWWHSZCL-CHWSQXEVSA-N 2 2 384.249 2.198 20 0 GEADLP [NH3+]C[C@H]1C[N@H+](Cc2cc3c(cc2Br)OCO3)CC12CCOCC2 ZINC000568762093 651680384 /nfs/dbraw/zinc/68/03/84/651680384.db2.gz WCXFEVAXKNJCNX-ZDUSSCGKSA-N 2 2 383.286 2.365 20 0 GEADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc3c(cc2Br)OCO3)CC12CCOCC2 ZINC000568762093 651680386 /nfs/dbraw/zinc/68/03/86/651680386.db2.gz WCXFEVAXKNJCNX-ZDUSSCGKSA-N 2 2 383.286 2.365 20 0 GEADLP COc1c(Br)ccc(C)c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617763069 651971092 /nfs/dbraw/zinc/97/10/92/651971092.db2.gz COAFLZQKQXAUGP-UHFFFAOYSA-N 2 2 386.334 2.379 20 0 GEADLP COc1c(Br)ccc(C)c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617763069 651971095 /nfs/dbraw/zinc/97/10/95/651971095.db2.gz COAFLZQKQXAUGP-UHFFFAOYSA-N 2 2 386.334 2.379 20 0 GEADLP Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000655759991 652010509 /nfs/dbraw/zinc/01/05/09/652010509.db2.gz JRTIQPVMXFRGMC-KRWDZBQOSA-N 2 2 379.302 2.099 20 0 GEADLP Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000655759991 652010518 /nfs/dbraw/zinc/01/05/18/652010518.db2.gz JRTIQPVMXFRGMC-KRWDZBQOSA-N 2 2 379.302 2.099 20 0 GEADLP [NH3+]C[C@@H]1CN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCCO1 ZINC000574276002 652012817 /nfs/dbraw/zinc/01/28/17/652012817.db2.gz AOJUSJKCICTKNE-SJORKVTESA-N 2 2 396.329 2.162 20 0 GEADLP C[C@@H](C(=O)Nc1cccc(I)c1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000576823914 652145971 /nfs/dbraw/zinc/14/59/71/652145971.db2.gz XLHLTNFCAFNLAK-RYUDHWBXSA-N 2 2 387.265 2.289 20 0 GEADLP C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000576823914 652145975 /nfs/dbraw/zinc/14/59/75/652145975.db2.gz XLHLTNFCAFNLAK-RYUDHWBXSA-N 2 2 387.265 2.289 20 0 GEADLP CSc1ccc(Cl)c(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000658427890 652270170 /nfs/dbraw/zinc/27/01/70/652270170.db2.gz MIPDPXLUFBUSOP-UHFFFAOYSA-N 2 2 386.949 2.000 20 0 GEADLP CSc1ccc(Cl)c(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000658427890 652270181 /nfs/dbraw/zinc/27/01/81/652270181.db2.gz MIPDPXLUFBUSOP-UHFFFAOYSA-N 2 2 386.949 2.000 20 0 GEADLP O[C@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)COc1cc(F)cc(Br)c1 ZINC000578880658 652301381 /nfs/dbraw/zinc/30/13/81/652301381.db2.gz KCXDMASRHMYKOK-UONOGXRCSA-N 2 2 384.249 2.129 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)[nH+]c12 ZINC000659483376 652359202 /nfs/dbraw/zinc/35/92/02/652359202.db2.gz ZRNBDQPVZYXGEM-ZIAGYGMSSA-N 2 2 398.280 2.028 20 0 GEADLP OCC1([NH2+]Cc2ccnc(-c3ccc(Br)cc3)n2)CC[NH2+]CC1 ZINC000662285055 652455271 /nfs/dbraw/zinc/45/52/71/652455271.db2.gz VJQWCCQQGUPSOX-UHFFFAOYSA-N 2 2 377.286 2.110 20 0 GEADLP Cc1cc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)ncc1Br ZINC000628293746 652457358 /nfs/dbraw/zinc/45/73/58/652457358.db2.gz RBEXBKXYUPYKJD-UHFFFAOYSA-N 2 2 383.334 2.234 20 0 GEADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)n1 ZINC000665292459 652550652 /nfs/dbraw/zinc/55/06/52/652550652.db2.gz AJHGZWWDWCRWMN-RHSMWYFYSA-N 2 2 393.285 2.413 20 0 GEADLP COc1cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1Br ZINC000666249421 652569791 /nfs/dbraw/zinc/56/97/91/652569791.db2.gz BXWFQGYXYPILFW-UHFFFAOYSA-N 2 2 387.322 2.463 20 0 GEADLP COc1cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1Br ZINC000666249421 652569794 /nfs/dbraw/zinc/56/97/94/652569794.db2.gz BXWFQGYXYPILFW-UHFFFAOYSA-N 2 2 387.322 2.463 20 0 GEADLP Brc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(CC[NH+]3CCOCC3)C1)CC2 ZINC000669847324 652722524 /nfs/dbraw/zinc/72/25/24/652722524.db2.gz LBNHEBCHRPQAHQ-HKUYNNGSSA-N 2 2 394.357 2.433 20 0 GEADLP C[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000764463900 652801432 /nfs/dbraw/zinc/80/14/32/652801432.db2.gz AGCBOGQBGACMFH-AYOQOUSVSA-N 2 2 396.373 2.440 20 0 GEADLP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000764463900 652801436 /nfs/dbraw/zinc/80/14/36/652801436.db2.gz AGCBOGQBGACMFH-AYOQOUSVSA-N 2 2 396.373 2.440 20 0 GEADLP COc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(Br)cn1 ZINC000598596443 652823533 /nfs/dbraw/zinc/82/35/33/652823533.db2.gz RNUOIIKWWJBXOL-MRXNPFEDSA-N 2 2 397.361 2.453 20 0 GEADLP COc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(Br)cn1 ZINC000598596443 652823538 /nfs/dbraw/zinc/82/35/38/652823538.db2.gz RNUOIIKWWJBXOL-MRXNPFEDSA-N 2 2 397.361 2.453 20 0 GEADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC1 ZINC000679336319 653144198 /nfs/dbraw/zinc/14/41/98/653144198.db2.gz LHPKBUAXEDLCBM-FUHWJXTLSA-N 2 2 396.329 2.033 20 0 GEADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)cn1 ZINC000684551737 653275111 /nfs/dbraw/zinc/27/51/11/653275111.db2.gz BTNYAWQPNIINGA-CZUORRHYSA-N 2 2 383.334 2.437 20 0 GEADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)cn1 ZINC000684551737 653275117 /nfs/dbraw/zinc/27/51/17/653275117.db2.gz BTNYAWQPNIINGA-CZUORRHYSA-N 2 2 383.334 2.437 20 0 GEADLP Cn1cc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c(Br)n1 ZINC000858152736 653351087 /nfs/dbraw/zinc/35/10/87/653351087.db2.gz AYYGOTATZIENRN-AWEZNQCLSA-N 2 2 379.306 2.330 20 0 GEADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1Br ZINC000877022044 653460731 /nfs/dbraw/zinc/46/07/31/653460731.db2.gz NHGJUGLMAHRRGN-ZIAGYGMSSA-N 2 2 383.286 2.189 20 0 GEADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1Br ZINC000877022044 653460735 /nfs/dbraw/zinc/46/07/35/653460735.db2.gz NHGJUGLMAHRRGN-ZIAGYGMSSA-N 2 2 383.286 2.189 20 0 GEADLP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000877989798 653625328 /nfs/dbraw/zinc/62/53/28/653625328.db2.gz FKGKDMNDMPTWSM-AEFFLSMTSA-N 2 2 386.323 2.094 20 0 GEADLP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000877989798 653625332 /nfs/dbraw/zinc/62/53/32/653625332.db2.gz FKGKDMNDMPTWSM-AEFFLSMTSA-N 2 2 386.323 2.094 20 0 GEADLP CSC1CC[NH+](CCS(=O)(=O)CC[NH+]2CCC(SC)CC2)CC1 ZINC000879098378 653658577 /nfs/dbraw/zinc/65/85/77/653658577.db2.gz CIFURVUPCKFWOZ-UHFFFAOYSA-N 2 2 380.645 2.056 20 0 GEADLP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000842478781 653757536 /nfs/dbraw/zinc/75/75/36/653757536.db2.gz JXVBZZIKAWOEGF-ROUUACIJSA-N 2 2 386.945 2.332 20 0 GEADLP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCS(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000842478816 653757712 /nfs/dbraw/zinc/75/77/12/653757712.db2.gz KUOVZWFMSSFFMV-AEFFLSMTSA-N 2 2 386.945 2.332 20 0 GEADLP C[N@H+](CCn1cnc(Br)n1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000821385329 653796851 /nfs/dbraw/zinc/79/68/51/653796851.db2.gz ASMKBNDSJLJLCR-UHFFFAOYSA-N 2 2 393.333 2.075 20 0 GEADLP C[N@@H+](CCn1cnc(Br)n1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000821385329 653796853 /nfs/dbraw/zinc/79/68/53/653796853.db2.gz ASMKBNDSJLJLCR-UHFFFAOYSA-N 2 2 393.333 2.075 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCC[C@H]3CC3(Cl)Cl)C2)CC1 ZINC000844984667 653831607 /nfs/dbraw/zinc/83/16/07/653831607.db2.gz NMIFLWCXOUAQDR-UONOGXRCSA-N 2 2 377.360 2.428 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCC[C@H]3CC3(Cl)Cl)C2)CC1 ZINC000844984667 653831609 /nfs/dbraw/zinc/83/16/09/653831609.db2.gz NMIFLWCXOUAQDR-UONOGXRCSA-N 2 2 377.360 2.428 20 0 GEADLP CC1(C)C[S@](=O)CC[NH+]1CCCCCC[N@H+]1CC[S@@](=O)CC1(C)C ZINC000794569600 653911427 /nfs/dbraw/zinc/91/14/27/653911427.db2.gz YBCYITBLIJQUCC-DNQXCXABSA-N 2 2 376.632 2.233 20 0 GEADLP CC1(C)C[S@](=O)CC[NH+]1CCCCCC[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000794569600 653911430 /nfs/dbraw/zinc/91/14/30/653911430.db2.gz YBCYITBLIJQUCC-DNQXCXABSA-N 2 2 376.632 2.233 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCSCCC(F)(F)F)C2)CC1 ZINC000868288439 654027733 /nfs/dbraw/zinc/02/77/33/654027733.db2.gz BLUKYJIYXNLZDY-CYBMUJFWSA-N 2 2 382.496 2.140 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCSCCC(F)(F)F)C2)CC1 ZINC000868288439 654027736 /nfs/dbraw/zinc/02/77/36/654027736.db2.gz BLUKYJIYXNLZDY-CYBMUJFWSA-N 2 2 382.496 2.140 20 0 GEADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000920181188 654205017 /nfs/dbraw/zinc/20/50/17/654205017.db2.gz GMNDHJBUQWCGKJ-GJZGRUSLSA-N 2 2 388.965 2.026 20 0 GEADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000920181188 654205019 /nfs/dbraw/zinc/20/50/19/654205019.db2.gz GMNDHJBUQWCGKJ-GJZGRUSLSA-N 2 2 388.965 2.026 20 0 GEADLP O=C1Nc2ncc(Br)cc2C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903326808 654234689 /nfs/dbraw/zinc/23/46/89/654234689.db2.gz TVSXUVJGFWSTPT-YPAMNDHTSA-N 2 2 391.313 2.455 20 0 GEADLP O=C1Nc2ncc(Br)cc2C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903326808 654234692 /nfs/dbraw/zinc/23/46/92/654234692.db2.gz TVSXUVJGFWSTPT-YPAMNDHTSA-N 2 2 391.313 2.455 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@@H]([NH3+])C[C@@H]3C)[nH+]c12 ZINC000891784452 654311651 /nfs/dbraw/zinc/31/16/51/654311651.db2.gz SVVCXEVGJAZWJL-AAEUAGOBSA-N 2 2 380.290 2.079 20 0 GEADLP O[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)COc1cc(Cl)cc(Cl)c1 ZINC000872199558 654316507 /nfs/dbraw/zinc/31/65/07/654316507.db2.gz PYMMKDXBEWCKGX-ZMSDIMECSA-N 2 2 375.296 2.186 20 0 GEADLP O[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)COc1cc(Cl)cc(Cl)c1 ZINC000872199558 654316513 /nfs/dbraw/zinc/31/65/13/654316513.db2.gz PYMMKDXBEWCKGX-ZMSDIMECSA-N 2 2 375.296 2.186 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(Br)cnc1Cl ZINC000855416612 654418317 /nfs/dbraw/zinc/41/83/17/654418317.db2.gz PHQXMAPCCVNYQP-UHFFFAOYSA-N 2 2 377.714 2.111 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(Br)cnc1Cl ZINC000855416612 654418324 /nfs/dbraw/zinc/41/83/24/654418324.db2.gz PHQXMAPCCVNYQP-UHFFFAOYSA-N 2 2 377.714 2.111 20 0 GEADLP C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519265 654459181 /nfs/dbraw/zinc/45/91/81/654459181.db2.gz PVSJUDJCDBDULY-FRRDWIJNSA-N 2 2 399.276 2.160 20 0 GEADLP C[C@H](C(=O)Nc1cccc(I)c1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519265 654459185 /nfs/dbraw/zinc/45/91/85/654459185.db2.gz PVSJUDJCDBDULY-FRRDWIJNSA-N 2 2 399.276 2.160 20 0 GEADLP Brc1ccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c(N2CCOCC2)c1 ZINC000925617775 654547049 /nfs/dbraw/zinc/54/70/49/654547049.db2.gz SERYWTLZMBLSKS-LVGQOLGVSA-N 2 2 392.341 2.372 20 0 GEADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2c(F)cc(Br)cc2F)CC1 ZINC000926048628 654556801 /nfs/dbraw/zinc/55/68/01/654556801.db2.gz KNQSCWWAHSBVLQ-UHFFFAOYSA-N 2 2 377.233 2.272 20 0 GEADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC[S@](=O)C(F)(F)F ZINC000929810855 654692575 /nfs/dbraw/zinc/69/25/75/654692575.db2.gz ZQFMHOSUBQAHJM-VWLOTQADSA-N 3 2 383.524 2.383 20 0 GEADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC[S@](=O)C(F)(F)F ZINC000929810855 654692580 /nfs/dbraw/zinc/69/25/80/654692580.db2.gz ZQFMHOSUBQAHJM-VWLOTQADSA-N 3 2 383.524 2.383 20 0 GEADLP C[NH+]1C[C@]2(C)C[NH+](C[C@H](O)COc3ccc(Br)cc3)C[C@@]2(C)C1 ZINC000931305567 654737556 /nfs/dbraw/zinc/73/75/56/654737556.db2.gz ZOISXJWYRRYXHC-CGTJXYLNSA-N 2 2 383.330 2.462 20 0 GEADLP C[NH+](C)CC1(O)CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000931482559 654743566 /nfs/dbraw/zinc/74/35/66/654743566.db2.gz XKEUYURCBBQJGT-INIZCTEOSA-N 2 2 386.323 2.487 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(Cn2cc(Cl)cn2)s1 ZINC000912386651 654752027 /nfs/dbraw/zinc/75/20/27/654752027.db2.gz GRLCLNQSRZPFTI-UHFFFAOYSA-N 2 2 383.949 2.260 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(Cn2cc(Cl)cn2)s1 ZINC000912386651 654752028 /nfs/dbraw/zinc/75/20/28/654752028.db2.gz GRLCLNQSRZPFTI-UHFFFAOYSA-N 2 2 383.949 2.260 20 0 GEADLP COc1cc(Br)cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000932623494 654783873 /nfs/dbraw/zinc/78/38/73/654783873.db2.gz YWDPRECCFXABSN-OAHLLOKOSA-N 2 2 396.329 2.356 20 0 GEADLP COc1cc(Br)cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000932623494 654783877 /nfs/dbraw/zinc/78/38/77/654783877.db2.gz YWDPRECCFXABSN-OAHLLOKOSA-N 2 2 396.329 2.356 20 0 GEADLP C[C@H]1CSCCC[NH+]1CCS(=O)(=O)CC[N@H+]1CCCSC[C@@H]1C ZINC000934301444 654843659 /nfs/dbraw/zinc/84/36/59/654843659.db2.gz JSZPDQBXOBGLQN-HOTGVXAUSA-N 2 2 380.645 2.056 20 0 GEADLP C[C@H]1CSCCC[NH+]1CCS(=O)(=O)CC[N@@H+]1CCCSC[C@@H]1C ZINC000934301444 654843661 /nfs/dbraw/zinc/84/36/61/654843661.db2.gz JSZPDQBXOBGLQN-HOTGVXAUSA-N 2 2 380.645 2.056 20 0 GEADLP CC(C)[N@H+](C)Cc1nn(-c2nc[nH]c3nc(=S)sc2-3)c2c1CC[NH2+]C2 ZINC001164679517 719637054 /nfs/dbraw/zinc/63/70/54/719637054.db2.gz DXAKHLBHBWXIKV-UHFFFAOYSA-N 2 2 375.527 2.047 20 0 GEADLP CC(C)[N@@H+](C)Cc1nn(-c2nc[nH]c3nc(=S)sc2-3)c2c1CC[NH2+]C2 ZINC001164679517 719637059 /nfs/dbraw/zinc/63/70/59/719637059.db2.gz DXAKHLBHBWXIKV-UHFFFAOYSA-N 2 2 375.527 2.047 20 0 GEADLP CCOC(=O)c1c(C)cc(N2CC[C@H]3C[N@H+](CCOC)CCO[C@@H]3C2)[nH+]c1C ZINC001164857462 720861925 /nfs/dbraw/zinc/86/19/25/720861925.db2.gz QWIHLCPIYJZJAE-ZWKOTPCHSA-N 2 2 391.512 2.049 20 0 GEADLP CCOC(=O)c1c(C)cc(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)[nH+]c1C ZINC001164857462 720861927 /nfs/dbraw/zinc/86/19/27/720861927.db2.gz QWIHLCPIYJZJAE-ZWKOTPCHSA-N 2 2 391.512 2.049 20 0 GEADLP CN(CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)S(=O)(=O)c1cccs1 ZINC000158354928 531776244 /nfs/dbraw/zinc/77/62/44/531776244.db2.gz ZJPINPTWXQJBPA-UHFFFAOYSA-N 2 2 376.507 2.344 20 0 GEADLP O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)Nc1ccc(Br)cc1 ZINC000069030268 531909708 /nfs/dbraw/zinc/90/97/08/531909708.db2.gz MRCREGBZKUUGMA-UHFFFAOYSA-N 2 2 396.329 2.432 20 0 GEADLP C[C@@H](Oc1cccc(Br)c1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177145662 532162466 /nfs/dbraw/zinc/16/24/66/532162466.db2.gz QYJCGOXHOTUMOK-CQSZACIVSA-N 2 2 398.345 2.359 20 0 GEADLP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)Nc1cccc(Br)c1 ZINC000129176411 532174191 /nfs/dbraw/zinc/17/41/91/532174191.db2.gz FEQNPFSFXSUTHI-OAHLLOKOSA-N 2 2 396.329 2.432 20 0 GEADLP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)Nc1cccc(Br)c1 ZINC000129176411 532174194 /nfs/dbraw/zinc/17/41/94/532174194.db2.gz FEQNPFSFXSUTHI-OAHLLOKOSA-N 2 2 396.329 2.432 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccncc3Br)CC2)CC1 ZINC000151175897 532307871 /nfs/dbraw/zinc/30/78/71/532307871.db2.gz MSYBBYOPDTWCGS-UHFFFAOYSA-N 2 2 381.318 2.133 20 0 GEADLP C[C@@H](C(=O)Nc1ccccc1Br)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182954910 532320203 /nfs/dbraw/zinc/32/02/03/532320203.db2.gz GOBOMFNRFZXMOE-HNNXBMFYSA-N 2 2 397.361 2.345 20 0 GEADLP C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182954910 532320204 /nfs/dbraw/zinc/32/02/04/532320204.db2.gz GOBOMFNRFZXMOE-HNNXBMFYSA-N 2 2 397.361 2.345 20 0 GEADLP CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C1CC[NH+](C)CC1 ZINC000294668270 532375296 /nfs/dbraw/zinc/37/52/96/532375296.db2.gz DFTMFENXRGFMFR-GFCCVEGCSA-N 2 2 384.318 2.146 20 0 GEADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000647530029 532375607 /nfs/dbraw/zinc/37/56/07/532375607.db2.gz FGDGARPLUSCLLG-ZIAGYGMSSA-N 2 2 377.312 2.170 20 0 GEADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000647530029 532375610 /nfs/dbraw/zinc/37/56/10/532375610.db2.gz FGDGARPLUSCLLG-ZIAGYGMSSA-N 2 2 377.312 2.170 20 0 GEADLP C[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccc(Br)cn1 ZINC000280043255 532405718 /nfs/dbraw/zinc/40/57/18/532405718.db2.gz WXQZANXKBVZXFD-ZDUSSCGKSA-N 2 2 398.349 2.230 20 0 GEADLP Cc1ccc(Br)nc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372753901 532406657 /nfs/dbraw/zinc/40/66/57/532406657.db2.gz WWDGHMVJFKGUPR-OAHLLOKOSA-N 2 2 395.345 2.393 20 0 GEADLP Cc1ccc(Br)nc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372753901 532406663 /nfs/dbraw/zinc/40/66/63/532406663.db2.gz WWDGHMVJFKGUPR-OAHLLOKOSA-N 2 2 395.345 2.393 20 0 GEADLP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1nc(C(F)(F)F)cs1 ZINC000467747493 532452932 /nfs/dbraw/zinc/45/29/32/532452932.db2.gz TUODNUHGQAZHGX-ZDUSSCGKSA-N 2 2 380.480 2.203 20 0 GEADLP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1nc(C(F)(F)F)cs1 ZINC000467747492 532453598 /nfs/dbraw/zinc/45/35/98/532453598.db2.gz TUODNUHGQAZHGX-CYBMUJFWSA-N 2 2 380.480 2.203 20 0 GEADLP NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000562839305 532485159 /nfs/dbraw/zinc/48/51/59/532485159.db2.gz LJYOVLDPECHIAT-ULQDDVLXSA-N 2 2 396.329 2.194 20 0 GEADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000562984989 532492848 /nfs/dbraw/zinc/49/28/48/532492848.db2.gz NQMGWGVYCJIOHM-HUUCEWRRSA-N 2 2 377.312 2.434 20 0 GEADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000562984989 532492851 /nfs/dbraw/zinc/49/28/51/532492851.db2.gz NQMGWGVYCJIOHM-HUUCEWRRSA-N 2 2 377.312 2.434 20 0 GEADLP CCCOc1ccc(Br)cc1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000470019413 532517631 /nfs/dbraw/zinc/51/76/31/532517631.db2.gz SRCUZBAMAAZKPA-UHFFFAOYSA-N 2 2 384.318 2.102 20 0 GEADLP CCCOc1ccc(Br)cc1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000470019413 532517638 /nfs/dbraw/zinc/51/76/38/532517638.db2.gz SRCUZBAMAAZKPA-UHFFFAOYSA-N 2 2 384.318 2.102 20 0 GEADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000564974919 532541297 /nfs/dbraw/zinc/54/12/97/532541297.db2.gz FAJNWQAYWJGIPT-HUUCEWRRSA-N 2 2 377.312 2.170 20 0 GEADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000564974919 532541303 /nfs/dbraw/zinc/54/13/03/532541303.db2.gz FAJNWQAYWJGIPT-HUUCEWRRSA-N 2 2 377.312 2.170 20 0 GEADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595021039 532541497 /nfs/dbraw/zinc/54/14/97/532541497.db2.gz WMZNDYUDFDYSKC-GOEBONIOSA-N 2 2 385.293 2.114 20 0 GEADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595021039 532541501 /nfs/dbraw/zinc/54/15/01/532541501.db2.gz WMZNDYUDFDYSKC-GOEBONIOSA-N 2 2 385.293 2.114 20 0 GEADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2ncc(Br)cc2Cl)C1 ZINC000631065030 532541797 /nfs/dbraw/zinc/54/17/97/532541797.db2.gz SJXPUIMABRVLNA-LLVKDONJSA-N 2 2 389.725 2.175 20 0 GEADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2ncc(Br)cc2Cl)C1 ZINC000631065030 532541802 /nfs/dbraw/zinc/54/18/02/532541802.db2.gz SJXPUIMABRVLNA-LLVKDONJSA-N 2 2 389.725 2.175 20 0 GEADLP CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653058894 532529455 /nfs/dbraw/zinc/52/94/55/532529455.db2.gz LESRBTQVPPYZJN-AWEZNQCLSA-N 2 2 389.327 2.450 20 0 GEADLP CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000296597366 532530543 /nfs/dbraw/zinc/53/05/43/532530543.db2.gz YFDLRXCUNZPNAO-DOMZBBRYSA-N 2 2 384.318 2.146 20 0 GEADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000653154865 532532477 /nfs/dbraw/zinc/53/24/77/532532477.db2.gz BISWIFKCHAHCKB-INIZCTEOSA-N 2 2 384.318 2.098 20 0 GEADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000653149061 532532658 /nfs/dbraw/zinc/53/26/58/532532658.db2.gz VIMRQYXTOSMWIC-GFCCVEGCSA-N 2 2 382.224 2.363 20 0 GEADLP C[NH+](C)CC[C@H](N)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000653153544 532532757 /nfs/dbraw/zinc/53/27/57/532532757.db2.gz SJKCXLBOEIRBDY-KRWDZBQOSA-N 2 2 387.355 2.353 20 0 GEADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000653153544 532532768 /nfs/dbraw/zinc/53/27/68/532532768.db2.gz SJKCXLBOEIRBDY-KRWDZBQOSA-N 3 2 387.355 2.353 20 0 GEADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000565173731 532550795 /nfs/dbraw/zinc/55/07/95/532550795.db2.gz VAKWPJNBWWYWSV-RDJZCZTQSA-N 2 2 387.318 2.130 20 0 GEADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000565173731 532550799 /nfs/dbraw/zinc/55/07/99/532550799.db2.gz VAKWPJNBWWYWSV-RDJZCZTQSA-N 2 2 387.318 2.130 20 0 GEADLP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1ncc(Br)s1 ZINC000375502300 532563037 /nfs/dbraw/zinc/56/30/37/532563037.db2.gz KLTDVAOILVRIHU-JRKPZEMJSA-N 2 2 384.303 2.310 20 0 GEADLP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1ncc(Br)cc1F ZINC000375517240 532564390 /nfs/dbraw/zinc/56/43/90/532564390.db2.gz PZIGWBJNESYYAH-VYROHLMNSA-N 2 2 396.264 2.387 20 0 GEADLP C[N@@H+]1CCN(C(=O)N[C@H]2c3cccc(Br)c3CC2(C)C)[C@H](C[NH3+])C1 ZINC000565882711 532583171 /nfs/dbraw/zinc/58/31/71/532583171.db2.gz GOTIPWYWMXJGFQ-WBMJQRKESA-N 2 2 395.345 2.357 20 0 GEADLP C[N@H+]1CCN(C(=O)N[C@H]2c3cccc(Br)c3CC2(C)C)[C@H](C[NH3+])C1 ZINC000565882711 532583177 /nfs/dbraw/zinc/58/31/77/532583177.db2.gz GOTIPWYWMXJGFQ-WBMJQRKESA-N 2 2 395.345 2.357 20 0 GEADLP Ic1ccc(C[N@@H+]2CCC[C@H]2CNC2=[NH+]CCCN2)cc1 ZINC000262437955 532594224 /nfs/dbraw/zinc/59/42/24/532594224.db2.gz XQYPZWRILDRRPR-HNNXBMFYSA-N 2 2 398.292 2.195 20 0 GEADLP Ic1ccc(C[N@H+]2CCC[C@H]2CNC2=[NH+]CCCN2)cc1 ZINC000262437955 532594231 /nfs/dbraw/zinc/59/42/31/532594231.db2.gz XQYPZWRILDRRPR-HNNXBMFYSA-N 2 2 398.292 2.195 20 0 GEADLP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc(I)c1OC ZINC000435373378 532614812 /nfs/dbraw/zinc/61/48/12/532614812.db2.gz MXSCXXDXZAHPDS-CMPLNLGQSA-N 2 2 390.265 2.478 20 0 GEADLP COc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc(I)c1OC ZINC000435373378 532614814 /nfs/dbraw/zinc/61/48/14/532614814.db2.gz MXSCXXDXZAHPDS-CMPLNLGQSA-N 2 2 390.265 2.478 20 0 GEADLP O=C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)Nc1cccc(Br)c1 ZINC000566245650 532602372 /nfs/dbraw/zinc/60/23/72/532602372.db2.gz ONFAXTHDAPYWAC-BZUAXINKSA-N 2 2 382.302 2.134 20 0 GEADLP O=S(=O)(CCC[NH+]1CCCC1)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000632378222 532606211 /nfs/dbraw/zinc/60/62/11/532606211.db2.gz XLUDVHVCHQONPG-UHFFFAOYSA-N 2 2 382.917 2.431 20 0 GEADLP C[N@H+]([C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)C1CC[NH+](CCO)CC1 ZINC000475052112 532636261 /nfs/dbraw/zinc/63/62/61/532636261.db2.gz ITKYPSPOHCJNRN-QGZVFWFLSA-N 2 2 386.323 2.487 20 0 GEADLP C[N@@H+]([C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)C1CC[NH+](CCO)CC1 ZINC000475052112 532636266 /nfs/dbraw/zinc/63/62/66/532636266.db2.gz ITKYPSPOHCJNRN-QGZVFWFLSA-N 2 2 386.323 2.487 20 0 GEADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)Cc2cc(Br)ccc2OC)CC1 ZINC000532745286 532655400 /nfs/dbraw/zinc/65/54/00/532655400.db2.gz PHNMLDLOPSTEHY-AWEZNQCLSA-N 2 2 398.345 2.442 20 0 GEADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2cc(Br)ccc2OC)CC1 ZINC000532745286 532655407 /nfs/dbraw/zinc/65/54/07/532655407.db2.gz PHNMLDLOPSTEHY-AWEZNQCLSA-N 2 2 398.345 2.442 20 0 GEADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(c3ccccc3Br)CC2)CC1 ZINC000439257608 532686508 /nfs/dbraw/zinc/68/65/08/532686508.db2.gz DHNBDHFBIHVHBK-UHFFFAOYSA-N 2 2 380.330 2.403 20 0 GEADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(S(N)(=O)=O)c(Br)c2)CC[N@@H+]1C ZINC000638115424 532682280 /nfs/dbraw/zinc/68/22/80/532682280.db2.gz BZBKKHSVVAKUKW-AAEUAGOBSA-N 2 2 390.347 2.011 20 0 GEADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(S(N)(=O)=O)c(Br)c2)CC[N@H+]1C ZINC000638115424 532682285 /nfs/dbraw/zinc/68/22/85/532682285.db2.gz BZBKKHSVVAKUKW-AAEUAGOBSA-N 2 2 390.347 2.011 20 0 GEADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(S(N)(=O)=O)c(Br)c2)CC[NH+]1C ZINC000638115424 532682287 /nfs/dbraw/zinc/68/22/87/532682287.db2.gz BZBKKHSVVAKUKW-AAEUAGOBSA-N 2 2 390.347 2.011 20 0 GEADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(S(N)(=O)=O)c(Br)c2)CC[NH+]1C ZINC000638115424 532682289 /nfs/dbraw/zinc/68/22/89/532682289.db2.gz BZBKKHSVVAKUKW-AAEUAGOBSA-N 2 2 390.347 2.011 20 0 GEADLP O[C@@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266041195 532700581 /nfs/dbraw/zinc/70/05/81/532700581.db2.gz VUNCSKODXUCGCK-GDBMZVCRSA-N 2 2 389.323 2.387 20 0 GEADLP O[C@@H](COc1cc(Cl)ccc1Cl)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266041195 532700586 /nfs/dbraw/zinc/70/05/86/532700586.db2.gz VUNCSKODXUCGCK-GDBMZVCRSA-N 2 2 389.323 2.387 20 0 GEADLP COCCC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000675782038 532741435 /nfs/dbraw/zinc/74/14/35/532741435.db2.gz KXLRIGBCTJPAPJ-QGZVFWFLSA-N 2 2 398.345 2.280 20 0 GEADLP O=C(CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1)Nc1ccccc1Br ZINC000512292286 532778031 /nfs/dbraw/zinc/77/80/31/532778031.db2.gz ASXJCDKHMYBICB-UHFFFAOYSA-N 2 2 392.301 2.319 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000286769478 532768043 /nfs/dbraw/zinc/76/80/43/532768043.db2.gz WIYOBDADXUPZAU-UHFFFAOYSA-N 2 2 375.485 2.271 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000286769478 532768047 /nfs/dbraw/zinc/76/80/47/532768047.db2.gz WIYOBDADXUPZAU-UHFFFAOYSA-N 2 2 375.485 2.271 20 0 GEADLP CC[C@@H](CO)[NH+]1CCN(Cc2c[nH+]c3c(C)cc(Br)cn23)CC1 ZINC000544348590 532781995 /nfs/dbraw/zinc/78/19/95/532781995.db2.gz IVNUGKFJPHTBIE-HNNXBMFYSA-N 2 2 381.318 2.294 20 0 GEADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000414053062 532818319 /nfs/dbraw/zinc/81/83/19/532818319.db2.gz AHVDFGXPCPUBPV-ZDUSSCGKSA-N 2 2 379.302 2.364 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)NCC[N@@H+](C)C3CC3)[nH+]c12 ZINC000273775948 532834251 /nfs/dbraw/zinc/83/42/51/532834251.db2.gz YTDZNWHPEKDTBJ-UHFFFAOYSA-N 2 2 380.290 2.299 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)NCC[N@H+](C)C3CC3)[nH+]c12 ZINC000273775948 532834253 /nfs/dbraw/zinc/83/42/53/532834253.db2.gz YTDZNWHPEKDTBJ-UHFFFAOYSA-N 2 2 380.290 2.299 20 0 GEADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cc(O)ccc3Br)CC2)CC1 ZINC000289858339 532866736 /nfs/dbraw/zinc/86/67/36/532866736.db2.gz QLBZMSVBTWELMY-UHFFFAOYSA-N 2 2 396.329 2.141 20 0 GEADLP [NH3+]C[C@@H]1CCCCN1C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000333353366 532867317 /nfs/dbraw/zinc/86/73/17/532867317.db2.gz RSPHYPKUCQOZEQ-LBPRGKRZSA-N 2 2 398.305 2.026 20 0 GEADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H](O)COCC(F)(F)F)[C@@H](C)C2)s1 ZINC000366590398 532919103 /nfs/dbraw/zinc/91/91/03/532919103.db2.gz ICVVEFNKSJRYNN-LNSITVRQSA-N 2 2 381.464 2.191 20 0 GEADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]C[C@@H](O)COCC(F)(F)F)[C@@H](C)C2)s1 ZINC000366590398 532919105 /nfs/dbraw/zinc/91/91/05/532919105.db2.gz ICVVEFNKSJRYNN-LNSITVRQSA-N 2 2 381.464 2.191 20 0 GEADLP O[C@H]1CCC[C@@H]1[NH+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)CC1 ZINC000367460682 532925150 /nfs/dbraw/zinc/92/51/50/532925150.db2.gz HAOCQUFXZXPAAL-HOTGVXAUSA-N 2 2 379.302 2.128 20 0 GEADLP O[C@H]1CCC[C@H]1[NH+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)CC1 ZINC000367460681 532925210 /nfs/dbraw/zinc/92/52/10/532925210.db2.gz HAOCQUFXZXPAAL-CVEARBPZSA-N 2 2 379.302 2.128 20 0 GEADLP O=S(=O)(NC1CC[NH+](CCCn2cc[nH+]c2)CC1)c1ccc(Cl)cc1 ZINC000367706000 532926633 /nfs/dbraw/zinc/92/66/33/532926633.db2.gz QAUCWPIVEXNATC-UHFFFAOYSA-N 2 2 382.917 2.370 20 0 GEADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000368103233 532930164 /nfs/dbraw/zinc/93/01/64/532930164.db2.gz UFHNGUCBTPOFKU-MWLCHTKSSA-N 2 2 399.314 2.028 20 0 GEADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000368103233 532930166 /nfs/dbraw/zinc/93/01/66/532930166.db2.gz UFHNGUCBTPOFKU-MWLCHTKSSA-N 2 2 399.314 2.028 20 0 GEADLP Cc1nn(C)c(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1Br ZINC000368050647 532929902 /nfs/dbraw/zinc/92/99/02/532929902.db2.gz GVBLTKNMACAXDP-CYBMUJFWSA-N 2 2 384.366 2.091 20 0 GEADLP Cc1nn(C)c(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1Br ZINC000368050647 532929904 /nfs/dbraw/zinc/92/99/04/532929904.db2.gz GVBLTKNMACAXDP-CYBMUJFWSA-N 2 2 384.366 2.091 20 0 GEADLP C[NH+]1CCC(CNc2ncc(-c3nn[nH]n3)cc2Cl)([NH+]2CCCCC2)CC1 ZINC000821621967 599062529 /nfs/dbraw/zinc/06/25/29/599062529.db2.gz NHEOUBVEQFNQMK-UHFFFAOYSA-N 2 2 390.923 2.277 20 0 GEADLP COc1ccc(C[NH2+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)cc1-c1nn[nH]n1 ZINC000737091451 599284318 /nfs/dbraw/zinc/28/43/18/599284318.db2.gz BSNYUXHOZKDDBL-AWEZNQCLSA-N 2 2 381.484 2.474 20 0 GEADLP Cc1cccc2c(NC3CC[NH+](C[C@H]4CCCO4)CC3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822336876 599474528 /nfs/dbraw/zinc/47/45/28/599474528.db2.gz SHKWRYBOICFKAE-MRXNPFEDSA-N 2 2 393.495 2.201 20 0 GEADLP CC[C@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc32)CC[N@@H+]1C[C@H](C)O ZINC000820993929 599530718 /nfs/dbraw/zinc/53/07/18/599530718.db2.gz CDDHAVXPIJBTTE-HOTGVXAUSA-N 2 2 395.511 2.313 20 0 GEADLP CC[C@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc32)CC[N@H+]1C[C@H](C)O ZINC000820993929 599530720 /nfs/dbraw/zinc/53/07/20/599530720.db2.gz CDDHAVXPIJBTTE-HOTGVXAUSA-N 2 2 395.511 2.313 20 0 GEADLP O=C(CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407296 607478476 /nfs/dbraw/zinc/47/84/76/607478476.db2.gz HUVLQIZBMBYHPX-LPHOPBHVSA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407296 607478478 /nfs/dbraw/zinc/47/84/78/607478478.db2.gz HUVLQIZBMBYHPX-LPHOPBHVSA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407296 607478480 /nfs/dbraw/zinc/47/84/80/607478480.db2.gz HUVLQIZBMBYHPX-LPHOPBHVSA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407296 607478481 /nfs/dbraw/zinc/47/84/81/607478481.db2.gz HUVLQIZBMBYHPX-LPHOPBHVSA-N 2 2 395.511 2.144 20 0 GEADLP CC[N@@H+](Cc1ccnc(-c2nn[nH]n2)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000825439685 607507507 /nfs/dbraw/zinc/50/75/07/607507507.db2.gz KNRIFSVPFASMSN-UHFFFAOYSA-N 2 2 378.484 2.395 20 0 GEADLP CC[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000825439685 607507508 /nfs/dbraw/zinc/50/75/08/607507508.db2.gz KNRIFSVPFASMSN-UHFFFAOYSA-N 2 2 378.484 2.395 20 0 GEADLP C[N@H+](Cc1ccccc1-c1nn[nH]n1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000821614720 606076918 /nfs/dbraw/zinc/07/69/18/606076918.db2.gz RXIRLQAWMIBWHS-UHFFFAOYSA-N 2 2 377.496 2.401 20 0 GEADLP C[N@@H+](Cc1ccccc1-c1nn[nH]n1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000821614720 606076922 /nfs/dbraw/zinc/07/69/22/606076922.db2.gz RXIRLQAWMIBWHS-UHFFFAOYSA-N 2 2 377.496 2.401 20 0 GEADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821622116 606186063 /nfs/dbraw/zinc/18/60/63/606186063.db2.gz SHULCGDNKGWJAX-UHFFFAOYSA-N 3 2 397.571 2.495 20 0 GEADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)c2c1 ZINC000822195069 606227520 /nfs/dbraw/zinc/22/75/20/606227520.db2.gz GBJXMCGOBXXIOR-QAPCUYQASA-N 2 2 393.495 2.189 20 0 GEADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000822336791 606440369 /nfs/dbraw/zinc/44/03/69/606440369.db2.gz RDORFTOBDXBXFT-HNNXBMFYSA-N 2 2 379.468 2.024 20 0 GEADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3nnc(-c4ccc(-c5nn[nH]n5)cc4)o3)C2)[nH]1 ZINC000823737701 606622783 /nfs/dbraw/zinc/62/27/83/606622783.db2.gz IREMRZSOQILRFU-AWEZNQCLSA-N 2 2 377.412 2.019 20 0 GEADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3nnc(-c4ccc(-c5nn[nH]n5)cc4)o3)C2)[nH]1 ZINC000823737701 606622784 /nfs/dbraw/zinc/62/27/84/606622784.db2.gz IREMRZSOQILRFU-AWEZNQCLSA-N 2 2 377.412 2.019 20 0 GEADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823689303 606858689 /nfs/dbraw/zinc/85/86/89/606858689.db2.gz DFXRTRDIQODNFQ-SFHVURJKSA-N 2 2 379.399 2.015 20 0 GEADLP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824616914 609325064 /nfs/dbraw/zinc/32/50/64/609325064.db2.gz AZZAPSCQKWGWAB-CQSZACIVSA-N 2 2 396.474 2.003 20 0 GEADLP CC[NH+]1CCN(CC(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)CC1 ZINC000469494654 650510751 /nfs/dbraw/zinc/51/07/51/650510751.db2.gz WFXQPVUZXIDSTJ-UHFFFAOYSA-N 2 2 383.334 2.087 20 0 GEADLP OCC[NH+]1CCN(CCCC[NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000510716261 650517804 /nfs/dbraw/zinc/51/78/04/650517804.db2.gz FGPUULZKBOOMRA-IBGZPJMESA-N 2 2 396.373 2.416 20 0 GEADLP COc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c(Br)c1 ZINC000512112731 650545449 /nfs/dbraw/zinc/54/54/49/650545449.db2.gz FVQJYXUOYYANAY-KRWDZBQOSA-N 2 2 398.345 2.490 20 0 GEADLP COc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c(Br)c1 ZINC000512112731 650545452 /nfs/dbraw/zinc/54/54/52/650545452.db2.gz FVQJYXUOYYANAY-KRWDZBQOSA-N 2 2 398.345 2.490 20 0 GEADLP Cc1cc(N2CC[C@H]([NH2+][C@H](C)C[C@H]3COCC[NH2+]3)C2=O)ccc1Br ZINC000521423706 650617369 /nfs/dbraw/zinc/61/73/69/650617369.db2.gz IPZTWPKFRXVEMI-KEYYUXOJSA-N 2 2 396.329 2.219 20 0 GEADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000484939521 650691246 /nfs/dbraw/zinc/69/12/46/650691246.db2.gz SBCGRRJKMXDTQW-QJPTWQEYSA-N 2 2 387.265 2.287 20 0 GEADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000484939521 650691247 /nfs/dbraw/zinc/69/12/47/650691247.db2.gz SBCGRRJKMXDTQW-QJPTWQEYSA-N 2 2 387.265 2.287 20 0 GEADLP CS[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C[C@H]1[NH+](C)C ZINC000534826472 650781054 /nfs/dbraw/zinc/78/10/54/650781054.db2.gz QATCUFIGRIZYET-KURKYZTESA-N 2 2 379.595 2.281 20 0 GEADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000128563839 643804708 /nfs/dbraw/zinc/80/47/08/643804708.db2.gz OROYJOSAWHURPM-OAHLLOKOSA-N 2 2 391.269 2.300 20 0 GEADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000128563839 643804710 /nfs/dbraw/zinc/80/47/10/643804710.db2.gz OROYJOSAWHURPM-OAHLLOKOSA-N 2 2 391.269 2.300 20 0 GEADLP C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(I)c2)C[C@@H]1C[NH3+] ZINC000163895728 644258169 /nfs/dbraw/zinc/25/81/69/644258169.db2.gz DFGQWGJWUDYZTB-NEPJUHHUSA-N 2 2 387.265 2.146 20 0 GEADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(I)c2)C[C@@H]1C[NH3+] ZINC000163895728 644258181 /nfs/dbraw/zinc/25/81/81/644258181.db2.gz DFGQWGJWUDYZTB-NEPJUHHUSA-N 2 2 387.265 2.146 20 0 GEADLP C[C@]([NH3+])(C(=O)NCc1cn2c([nH+]1)CCCC2)c1ccc(Br)cc1 ZINC000261832867 645604208 /nfs/dbraw/zinc/60/42/08/645604208.db2.gz UGRIURAQVDAINL-QGZVFWFLSA-N 2 2 377.286 2.472 20 0 GEADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1cc(Cl)ccc1I ZINC000405343640 647909921 /nfs/dbraw/zinc/90/99/21/647909921.db2.gz ORVKRTSZGBKEIY-UHFFFAOYSA-N 2 2 393.700 2.282 20 0 GEADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc(Cl)ccc1I ZINC000405343640 647909929 /nfs/dbraw/zinc/90/99/29/647909929.db2.gz ORVKRTSZGBKEIY-UHFFFAOYSA-N 2 2 393.700 2.282 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)NC3(C)CC[NH2+]CC3)[nH+]c12 ZINC000418026979 648272204 /nfs/dbraw/zinc/27/22/04/648272204.db2.gz WQNDXFXCUGKMDA-UHFFFAOYSA-N 2 2 394.317 2.389 20 0 GEADLP [NH3+][C@H](CNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1CC1 ZINC000418496234 648298344 /nfs/dbraw/zinc/29/83/44/648298344.db2.gz HIEGPFFHLJWJQA-CQSZACIVSA-N 2 2 396.289 2.188 20 0 GEADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000422908522 648576864 /nfs/dbraw/zinc/57/68/64/648576864.db2.gz MUDPMNVSSLCABQ-HOCLYGCPSA-N 2 2 398.345 2.154 20 0 GEADLP [NH3+][C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)c2ccccc21 ZINC000423112694 648581442 /nfs/dbraw/zinc/58/14/42/648581442.db2.gz JZVNCRGCTKPAGZ-JKSUJKDBSA-N 2 2 383.876 2.492 20 0 GEADLP Cc1ccc(C[C@H](CO)C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)cc1Br ZINC000423149862 648584300 /nfs/dbraw/zinc/58/43/00/648584300.db2.gz BBDYFCLDKIZYOK-HYVNUMGLSA-N 2 2 385.346 2.265 20 0 GEADLP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423175168 648587116 /nfs/dbraw/zinc/58/71/16/648587116.db2.gz DHNIIETYBAJELV-NSHDSACASA-N 2 2 390.347 2.409 20 0 GEADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccccc1I ZINC000430571101 648763943 /nfs/dbraw/zinc/76/39/43/648763943.db2.gz LEXAAZQQOSKVDT-CQSZACIVSA-N 2 2 375.254 2.193 20 0 GEADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430707045 648765295 /nfs/dbraw/zinc/76/52/95/648765295.db2.gz OVIARVHPTJAVSL-GFCCVEGCSA-N 2 2 392.363 2.479 20 0 GEADLP C[N@@H+]1CC[C@@H](C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)C1 ZINC000552802629 651158229 /nfs/dbraw/zinc/15/82/29/651158229.db2.gz BVSMAICBAVVWEF-CYBMUJFWSA-N 2 2 381.274 2.219 20 0 GEADLP C[N@H+]1CC[C@@H](C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)C1 ZINC000552802629 651158230 /nfs/dbraw/zinc/15/82/30/651158230.db2.gz BVSMAICBAVVWEF-CYBMUJFWSA-N 2 2 381.274 2.219 20 0 GEADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000557339143 651268665 /nfs/dbraw/zinc/26/86/65/651268665.db2.gz LPUCSNBPLSEPBB-CYBMUJFWSA-N 2 2 383.283 2.319 20 0 GEADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000557339143 651268667 /nfs/dbraw/zinc/26/86/67/651268667.db2.gz LPUCSNBPLSEPBB-CYBMUJFWSA-N 2 2 383.283 2.319 20 0 GEADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3cc(Br)cc4c3OCC4)C2)nn1 ZINC000562751423 651501477 /nfs/dbraw/zinc/50/14/77/651501477.db2.gz WPECZQPLSRQYOZ-INIZCTEOSA-N 2 2 392.301 2.271 20 0 GEADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3cc(Br)cc4c3OCC4)C2)nn1 ZINC000562751423 651501480 /nfs/dbraw/zinc/50/14/80/651501480.db2.gz WPECZQPLSRQYOZ-INIZCTEOSA-N 2 2 392.301 2.271 20 0 GEADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1Cc1ccccc1Br ZINC000568649985 651674377 /nfs/dbraw/zinc/67/43/77/651674377.db2.gz QHFNLAMROZHOTH-IAGOWNOFSA-N 2 2 385.346 2.395 20 0 GEADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1Cc1ccccc1Br ZINC000568649985 651674383 /nfs/dbraw/zinc/67/43/83/651674383.db2.gz QHFNLAMROZHOTH-IAGOWNOFSA-N 2 2 385.346 2.395 20 0 GEADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000568649985 651674387 /nfs/dbraw/zinc/67/43/87/651674387.db2.gz QHFNLAMROZHOTH-IAGOWNOFSA-N 2 2 385.346 2.395 20 0 GEADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000568649985 651674392 /nfs/dbraw/zinc/67/43/92/651674392.db2.gz QHFNLAMROZHOTH-IAGOWNOFSA-N 2 2 385.346 2.395 20 0 GEADLP CN(C(=O)NCCSCC(F)(F)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000613862850 651800629 /nfs/dbraw/zinc/80/06/29/651800629.db2.gz ZJSKRRODLMTIQO-CQSZACIVSA-N 2 2 382.496 2.092 20 0 GEADLP CN(C(=O)NCCSCC(F)(F)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000613862850 651800632 /nfs/dbraw/zinc/80/06/32/651800632.db2.gz ZJSKRRODLMTIQO-CQSZACIVSA-N 2 2 382.496 2.092 20 0 GEADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(I)c(Cl)c1)C1CC1 ZINC000571040499 651807528 /nfs/dbraw/zinc/80/75/28/651807528.db2.gz FQJYCBMCLHJLCD-LBPRGKRZSA-N 2 2 394.684 2.489 20 0 GEADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(I)c(Cl)c1)C1CC1 ZINC000571040499 651807533 /nfs/dbraw/zinc/80/75/33/651807533.db2.gz FQJYCBMCLHJLCD-LBPRGKRZSA-N 2 2 394.684 2.489 20 0 GEADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(=O)n4cc(Br)ccc4n3)C2)C1 ZINC000573695960 651974429 /nfs/dbraw/zinc/97/44/29/651974429.db2.gz WPNRNYWYRXIQLJ-SFHVURJKSA-N 2 2 391.313 2.375 20 0 GEADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(=O)n4cc(Br)ccc4n3)C2)C1 ZINC000573695960 651974437 /nfs/dbraw/zinc/97/44/37/651974437.db2.gz WPNRNYWYRXIQLJ-SFHVURJKSA-N 2 2 391.313 2.375 20 0 GEADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(=O)n4cc(Br)ccc4n3)C2)C1 ZINC000573695960 651974441 /nfs/dbraw/zinc/97/44/41/651974441.db2.gz WPNRNYWYRXIQLJ-SFHVURJKSA-N 2 2 391.313 2.375 20 0 GEADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(=O)n4cc(Br)ccc4n3)C2)C1 ZINC000573695960 651974444 /nfs/dbraw/zinc/97/44/44/651974444.db2.gz WPNRNYWYRXIQLJ-SFHVURJKSA-N 2 2 391.313 2.375 20 0 GEADLP Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000742733825 651999022 /nfs/dbraw/zinc/99/90/22/651999022.db2.gz BIRKSNUYSSHVNU-CABCVRRESA-N 2 2 388.965 2.024 20 0 GEADLP Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000742733825 651999027 /nfs/dbraw/zinc/99/90/27/651999027.db2.gz BIRKSNUYSSHVNU-CABCVRRESA-N 2 2 388.965 2.024 20 0 GEADLP O=C(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Nc1ccc(Br)cc1 ZINC000655700130 652008565 /nfs/dbraw/zinc/00/85/65/652008565.db2.gz DQVYPKRXIOSKQP-INIZCTEOSA-N 2 2 382.302 2.231 20 0 GEADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000655719795 652008635 /nfs/dbraw/zinc/00/86/35/652008635.db2.gz MOOLHXODHLCDGX-GOSISDBHSA-N 2 2 393.329 2.490 20 0 GEADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000658333890 652254438 /nfs/dbraw/zinc/25/44/38/652254438.db2.gz UXZPAHDLNHNYLR-LBPRGKRZSA-N 2 2 389.327 2.320 20 0 GEADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000658333890 652254445 /nfs/dbraw/zinc/25/44/45/652254445.db2.gz UXZPAHDLNHNYLR-LBPRGKRZSA-N 2 2 389.327 2.320 20 0 GEADLP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624085425 652269383 /nfs/dbraw/zinc/26/93/83/652269383.db2.gz TVQGTTDVKFFPFV-WBMJQRKESA-N 2 2 386.309 2.449 20 0 GEADLP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624085425 652269388 /nfs/dbraw/zinc/26/93/88/652269388.db2.gz TVQGTTDVKFFPFV-WBMJQRKESA-N 2 2 386.309 2.449 20 0 GEADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc(=O)n3cc(Br)ccc3n1)C2 ZINC000660654649 652408959 /nfs/dbraw/zinc/40/89/59/652408959.db2.gz AZBKQSXSBPVPRE-SFHVURJKSA-N 2 2 391.313 2.375 20 0 GEADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc(=O)n3cc(Br)ccc3n1)C2 ZINC000660654649 652408964 /nfs/dbraw/zinc/40/89/64/652408964.db2.gz AZBKQSXSBPVPRE-SFHVURJKSA-N 2 2 391.313 2.375 20 0 GEADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cc(=O)n3cc(Br)ccc3n1)C2 ZINC000660654649 652408967 /nfs/dbraw/zinc/40/89/67/652408967.db2.gz AZBKQSXSBPVPRE-SFHVURJKSA-N 2 2 391.313 2.375 20 0 GEADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cc(=O)n3cc(Br)ccc3n1)C2 ZINC000660654649 652408968 /nfs/dbraw/zinc/40/89/68/652408968.db2.gz AZBKQSXSBPVPRE-SFHVURJKSA-N 2 2 391.313 2.375 20 0 GEADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000627012601 652411998 /nfs/dbraw/zinc/41/19/98/652411998.db2.gz CCEGTJYMWHADEH-LSDHHAIUSA-N 2 2 394.317 2.387 20 0 GEADLP C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)Cn1cc[nH+]c1 ZINC000581591844 652418036 /nfs/dbraw/zinc/41/80/36/652418036.db2.gz GQLGFLCEOGAOCE-ZDUSSCGKSA-N 2 2 392.301 2.425 20 0 GEADLP C[C@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)Cn1cc[nH+]c1 ZINC000581591844 652418042 /nfs/dbraw/zinc/41/80/42/652418042.db2.gz GQLGFLCEOGAOCE-ZDUSSCGKSA-N 2 2 392.301 2.425 20 0 GEADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]([NH3+])c2ccccc2Br)C[C@@H](C)O1 ZINC000662364378 652457464 /nfs/dbraw/zinc/45/74/64/652457464.db2.gz HXUNQWOVQHUABD-IOASZLSFSA-N 2 2 398.345 2.453 20 0 GEADLP C[C@@H]1C[NH+](CCCNC(=O)[C@H]([NH3+])c2ccccc2Br)C[C@@H](C)O1 ZINC000662368023 652457630 /nfs/dbraw/zinc/45/76/30/652457630.db2.gz KANGEWMRGFLGMS-XJKCOSOUSA-N 2 2 384.318 2.064 20 0 GEADLP C[NH2+][C@H](C(=O)N(C)CCCN1CC[NH+](C)CC1)c1cccc(Cl)c1Cl ZINC000662470096 652463055 /nfs/dbraw/zinc/46/30/55/652463055.db2.gz CMAZVJOBUFCHAT-KRWDZBQOSA-N 2 2 387.355 2.350 20 0 GEADLP C[NH2+][C@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(Cl)c1Cl ZINC000662491739 652464138 /nfs/dbraw/zinc/46/41/38/652464138.db2.gz MLAXQGRLNHLLRM-GUYCJALGSA-N 2 2 386.323 2.435 20 0 GEADLP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000662561263 652468038 /nfs/dbraw/zinc/46/80/38/652468038.db2.gz ODXOMEBDAZXMJI-LBPRGKRZSA-N 2 2 393.310 2.296 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000664777230 652538544 /nfs/dbraw/zinc/53/85/44/652538544.db2.gz AGMIOGVNFDDEBU-DLBZAZTESA-N 2 2 397.361 2.488 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000664777230 652538547 /nfs/dbraw/zinc/53/85/47/652538547.db2.gz AGMIOGVNFDDEBU-DLBZAZTESA-N 2 2 397.361 2.488 20 0 GEADLP CSC1(CNC(=O)N2CC[NH+](Cc3cccs3)CC2)CC[NH+](C)CC1 ZINC000589630599 652570086 /nfs/dbraw/zinc/57/00/86/652570086.db2.gz RMSAREZNJZEPTO-UHFFFAOYSA-N 2 2 382.599 2.403 20 0 GEADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc(Br)ncc1F ZINC000762744692 652716684 /nfs/dbraw/zinc/71/66/84/652716684.db2.gz FJBKZXUIWHIWRZ-RYUDHWBXSA-N 2 2 387.297 2.221 20 0 GEADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cc(Br)ncc1F ZINC000762744692 652716691 /nfs/dbraw/zinc/71/66/91/652716691.db2.gz FJBKZXUIWHIWRZ-RYUDHWBXSA-N 2 2 387.297 2.221 20 0 GEADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000638719804 652904201 /nfs/dbraw/zinc/90/42/01/652904201.db2.gz QDRKTMZFJDERNO-PBHICJAKSA-N 2 2 379.551 2.396 20 0 GEADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000638719804 652904208 /nfs/dbraw/zinc/90/42/08/652904208.db2.gz QDRKTMZFJDERNO-PBHICJAKSA-N 2 2 379.551 2.396 20 0 GEADLP C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638914684 652912611 /nfs/dbraw/zinc/91/26/11/652912611.db2.gz CTECDJPYJVQPDG-HOCLYGCPSA-N 2 2 379.551 2.396 20 0 GEADLP C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638914684 652912614 /nfs/dbraw/zinc/91/26/14/652912614.db2.gz CTECDJPYJVQPDG-HOCLYGCPSA-N 2 2 379.551 2.396 20 0 GEADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2snc(OC)c2Br)CC1 ZINC000639253364 652928658 /nfs/dbraw/zinc/92/86/58/652928658.db2.gz MPAQKRPGIFDTAZ-UHFFFAOYSA-N 2 2 391.379 2.420 20 0 GEADLP Brc1ccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)s1 ZINC000641789812 653234324 /nfs/dbraw/zinc/23/43/24/653234324.db2.gz WOCQEIWUXGSQQZ-CQSZACIVSA-N 2 2 388.375 2.397 20 0 GEADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2csc(Br)n2)CC1 ZINC000874155467 653273408 /nfs/dbraw/zinc/27/34/08/653273408.db2.gz YRJNIKVHFFTANC-UHFFFAOYSA-N 2 2 382.287 2.305 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC[C@@]3(C)CC3(Cl)Cl)C2)CC1 ZINC000836318407 653344770 /nfs/dbraw/zinc/34/47/70/653344770.db2.gz OLFQPMGCIMLAKY-BBRMVZONSA-N 2 2 377.360 2.428 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC[C@@]3(C)CC3(Cl)Cl)C2)CC1 ZINC000836318407 653344774 /nfs/dbraw/zinc/34/47/74/653344774.db2.gz OLFQPMGCIMLAKY-BBRMVZONSA-N 2 2 377.360 2.428 20 0 GEADLP COCC[N@H+](CCS(=O)(=O)c1ccc(Cl)cc1)CC1CC[NH+](C)CC1 ZINC000879123534 653659837 /nfs/dbraw/zinc/65/98/37/653659837.db2.gz WPACJPWANBVTQP-UHFFFAOYSA-N 2 2 388.961 2.404 20 0 GEADLP COCC[N@@H+](CCS(=O)(=O)c1ccc(Cl)cc1)CC1CC[NH+](C)CC1 ZINC000879123534 653659839 /nfs/dbraw/zinc/65/98/39/653659839.db2.gz WPACJPWANBVTQP-UHFFFAOYSA-N 2 2 388.961 2.404 20 0 GEADLP O=S(=O)(CC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)c1ccc(Cl)cc1 ZINC000863573341 653716014 /nfs/dbraw/zinc/71/60/14/653716014.db2.gz VSZVUCXMVJUNIR-KRWDZBQOSA-N 2 2 386.945 2.204 20 0 GEADLP CC(C)[N@H+](C)CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787670394 653741987 /nfs/dbraw/zinc/74/19/87/653741987.db2.gz MWABFYWGRYSHEH-UHFFFAOYSA-N 2 2 383.334 2.480 20 0 GEADLP CC(C)[N@@H+](C)CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787670394 653741990 /nfs/dbraw/zinc/74/19/90/653741990.db2.gz MWABFYWGRYSHEH-UHFFFAOYSA-N 2 2 383.334 2.480 20 0 GEADLP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2cccnc2Br)c1 ZINC000865444992 653765482 /nfs/dbraw/zinc/76/54/82/653765482.db2.gz AHKNGKHQNUWLOO-UHFFFAOYSA-N 2 2 391.313 2.425 20 0 GEADLP COc1ncc(Br)cc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000865495156 653766808 /nfs/dbraw/zinc/76/68/08/653766808.db2.gz JSKDPVOPPVCRQA-HZPDHXFCSA-N 2 2 384.318 2.320 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1nc(Br)ccc1F ZINC000792172045 653836709 /nfs/dbraw/zinc/83/67/09/653836709.db2.gz LTITVHWMJKBBGL-UHFFFAOYSA-N 2 2 387.297 2.081 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1nc(Br)ccc1F ZINC000792172045 653836710 /nfs/dbraw/zinc/83/67/10/653836710.db2.gz LTITVHWMJKBBGL-UHFFFAOYSA-N 2 2 387.297 2.081 20 0 GEADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895684203 653845943 /nfs/dbraw/zinc/84/59/43/653845943.db2.gz BFQFNJXBYPMGJL-RPPIVITFSA-N 2 2 375.494 2.096 20 0 GEADLP C[N@@H+]1CC[C@]2(CC[NH+](Cn3nc(Br)c(=O)c4ccccc43)C2)C1 ZINC000793763134 653884606 /nfs/dbraw/zinc/88/46/06/653884606.db2.gz CETXWMMKYJEKEP-KRWDZBQOSA-N 2 2 377.286 2.144 20 0 GEADLP C[N@H+]1CC[C@]2(CC[NH+](Cn3nc(Br)c(=O)c4ccccc43)C2)C1 ZINC000793763134 653884609 /nfs/dbraw/zinc/88/46/09/653884609.db2.gz CETXWMMKYJEKEP-KRWDZBQOSA-N 2 2 377.286 2.144 20 0 GEADLP C[NH+]1CC[C@]2(CC[N@H+](Cn3nc(Br)c(=O)c4ccccc43)C2)C1 ZINC000793763134 653884613 /nfs/dbraw/zinc/88/46/13/653884613.db2.gz CETXWMMKYJEKEP-KRWDZBQOSA-N 2 2 377.286 2.144 20 0 GEADLP C[NH+]1CC[C@]2(CC[N@@H+](Cn3nc(Br)c(=O)c4ccccc43)C2)C1 ZINC000793763134 653884617 /nfs/dbraw/zinc/88/46/17/653884617.db2.gz CETXWMMKYJEKEP-KRWDZBQOSA-N 2 2 377.286 2.144 20 0 GEADLP C[NH+]1CCN([C@@H](C[NH2+]Cc2nc(Br)c[nH]2)c2cccs2)CC1 ZINC000921472177 654272065 /nfs/dbraw/zinc/27/20/65/654272065.db2.gz YMCXYNMWPXQPFU-LBPRGKRZSA-N 2 2 384.347 2.312 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnn(C(C)(C)C)c1Br ZINC000855416842 654418529 /nfs/dbraw/zinc/41/85/29/654418529.db2.gz BZLYFPKJJFJQAU-UHFFFAOYSA-N 2 2 388.354 2.014 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnn(C(C)(C)C)c1Br ZINC000855416842 654418536 /nfs/dbraw/zinc/41/85/36/654418536.db2.gz BZLYFPKJJFJQAU-UHFFFAOYSA-N 2 2 388.354 2.014 20 0 GEADLP CO[C@H]1C[C@@H](C[NH2+][C@H](C)C2(Br)CC2)N(c2cc(N(C)C)[nH+]cn2)C1 ZINC000926818738 654582851 /nfs/dbraw/zinc/58/28/51/654582851.db2.gz FKWPBARKGNJYPS-RDBSUJKOSA-N 2 2 398.349 2.042 20 0 GEADLP Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnc1Br ZINC000932623426 654783849 /nfs/dbraw/zinc/78/38/49/654783849.db2.gz XEQWPCXROUWMDT-CQSZACIVSA-N 2 2 381.318 2.051 20 0 GEADLP Cc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnc1Br ZINC000932623426 654783851 /nfs/dbraw/zinc/78/38/51/654783851.db2.gz XEQWPCXROUWMDT-CQSZACIVSA-N 2 2 381.318 2.051 20 0 GEADLP Cc1ccc(Br)c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000932713624 654786422 /nfs/dbraw/zinc/78/64/22/654786422.db2.gz POUHTOIGAVRBQQ-UHFFFAOYSA-N 2 2 383.334 2.251 20 0 GEADLP Cc1ccc(Br)c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000932713624 654786424 /nfs/dbraw/zinc/78/64/24/654786424.db2.gz POUHTOIGAVRBQQ-UHFFFAOYSA-N 2 2 383.334 2.251 20 0 GEADLP CCCc1cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc(C)[nH+]1 ZINC001164717176 720189768 /nfs/dbraw/zinc/18/97/68/720189768.db2.gz UGVVHMQUDZMXLE-IBGZPJMESA-N 2 2 399.543 2.082 20 0 GEADLP C[NH+]1CCN(c2cccc(N([C@@H]3COC4(C3)CC[NH2+]CC4)C(C)(C)C)[nH+]2)CC1 ZINC001164736214 720545393 /nfs/dbraw/zinc/54/53/93/720545393.db2.gz WAUIFXMETBUPQG-SFHVURJKSA-N 3 2 387.572 2.349 20 0 GEADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164729551 720563305 /nfs/dbraw/zinc/56/33/05/720563305.db2.gz QSLGFWSDPWXCAO-UHFFFAOYSA-N 2 2 383.496 2.340 20 0 GEADLP Cc1c[nH+]c(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1N1CCCC1 ZINC001164773128 721070686 /nfs/dbraw/zinc/07/06/86/721070686.db2.gz WMTFKVXUIHBQAO-RTBURBONSA-N 2 2 381.528 2.077 20 0 GEADLP Cc1c[nH+]c(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1N1CCCC1 ZINC001164773128 721070688 /nfs/dbraw/zinc/07/06/88/721070688.db2.gz WMTFKVXUIHBQAO-RTBURBONSA-N 2 2 381.528 2.077 20 0 GEADLP Cc1nc(N2CCCC2)cc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)[nH+]1 ZINC001164762585 721081535 /nfs/dbraw/zinc/08/15/35/721081535.db2.gz FESBFXASQDADRT-MOPGFXCFSA-N 2 2 381.528 2.077 20 0 GEADLP Cc1nc(N2CCCC2)cc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)[nH+]1 ZINC001164762585 721081537 /nfs/dbraw/zinc/08/15/37/721081537.db2.gz FESBFXASQDADRT-MOPGFXCFSA-N 2 2 381.528 2.077 20 0 GEADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2[nH+][nH]c(Cl)c3ncnc2-3)[C@H]2CCCO[C@@H]12 ZINC001164804018 721564312 /nfs/dbraw/zinc/56/43/12/721564312.db2.gz KRIRLHSIKMXSME-JJRVBVJISA-N 2 2 399.886 2.270 20 0 GEADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2[nH+][nH]c(Cl)c3ncnc2-3)[C@H]2CCCO[C@@H]12 ZINC001164804018 721564313 /nfs/dbraw/zinc/56/43/13/721564313.db2.gz KRIRLHSIKMXSME-JJRVBVJISA-N 2 2 399.886 2.270 20 0 GEADLP CCc1cc(N2CC[NH+](CCOc3ccccc3)CC2)nc(N2CCOCC2)[nH+]1 ZINC001165045519 721957791 /nfs/dbraw/zinc/95/77/91/721957791.db2.gz WOETZNKECFLNAO-UHFFFAOYSA-N 2 2 397.523 2.077 20 0 GEADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)Cc2cc(Br)cn2C)CC1 ZINC000151511854 531506356 /nfs/dbraw/zinc/50/63/56/531506356.db2.gz QSCAWRRJIWDKNM-UHFFFAOYSA-N 2 2 385.350 2.208 20 0 GEADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2cc(Br)cn2C)CC1 ZINC000151511854 531506375 /nfs/dbraw/zinc/50/63/75/531506375.db2.gz QSCAWRRJIWDKNM-UHFFFAOYSA-N 2 2 385.350 2.208 20 0 GEADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000122193732 532060959 /nfs/dbraw/zinc/06/09/59/532060959.db2.gz JNYGMRMXFFKEMO-RDJZCZTQSA-N 2 2 379.551 2.137 20 0 GEADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000122193732 532060966 /nfs/dbraw/zinc/06/09/66/532060966.db2.gz JNYGMRMXFFKEMO-RDJZCZTQSA-N 2 2 379.551 2.137 20 0 GEADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccs2)C1 ZINC000122250437 532063233 /nfs/dbraw/zinc/06/32/33/532063233.db2.gz MQEKKXLQHIIMFK-RDJZCZTQSA-N 2 2 379.551 2.452 20 0 GEADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccs2)C1 ZINC000122250437 532063237 /nfs/dbraw/zinc/06/32/37/532063237.db2.gz MQEKKXLQHIIMFK-RDJZCZTQSA-N 2 2 379.551 2.452 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000124863600 532131135 /nfs/dbraw/zinc/13/11/35/532131135.db2.gz KBJQGZXTBPALBN-YPMHNXCESA-N 2 2 387.265 2.207 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000124863600 532131140 /nfs/dbraw/zinc/13/11/40/532131140.db2.gz KBJQGZXTBPALBN-YPMHNXCESA-N 2 2 387.265 2.207 20 0 GEADLP C[C@@H](Cn1cc(Br)cn1)Nc1ccc(N2CC[NH+](C)CC2)c[nH+]1 ZINC000130011514 532187988 /nfs/dbraw/zinc/18/79/88/532187988.db2.gz VIZWBTJFCXYNIF-ZDUSSCGKSA-N 2 2 379.306 2.293 20 0 GEADLP C[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1Br ZINC000181034653 532288886 /nfs/dbraw/zinc/28/88/86/532288886.db2.gz VVXSMFKIMZPZIM-GJZGRUSLSA-N 2 2 396.329 2.033 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(Br)n1 ZINC000188579366 532348612 /nfs/dbraw/zinc/34/86/12/532348612.db2.gz KQQLKNYCJMPOHS-UHFFFAOYSA-N 2 2 384.322 2.334 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(Br)n1 ZINC000188579366 532348613 /nfs/dbraw/zinc/34/86/13/532348613.db2.gz KQQLKNYCJMPOHS-UHFFFAOYSA-N 2 2 384.322 2.334 20 0 GEADLP Cn1ncc(Br)c1C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000278398355 532378536 /nfs/dbraw/zinc/37/85/36/532378536.db2.gz NIMNIEHFLJKYCT-UHFFFAOYSA-N 2 2 392.345 2.220 20 0 GEADLP Cn1ncc(Br)c1C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000278398355 532378543 /nfs/dbraw/zinc/37/85/43/532378543.db2.gz NIMNIEHFLJKYCT-UHFFFAOYSA-N 2 2 392.345 2.220 20 0 GEADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000677654399 532380388 /nfs/dbraw/zinc/38/03/88/532380388.db2.gz WJJBBZYGRCXIDX-HNNXBMFYSA-N 2 2 386.721 2.453 20 0 GEADLP Fc1c(Br)cccc1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000648452349 532397928 /nfs/dbraw/zinc/39/79/28/532397928.db2.gz YIXQAXVMTHSDMG-OAHLLOKOSA-N 2 2 386.309 2.084 20 0 GEADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)C[C@H](C)O1 ZINC000517231325 532410444 /nfs/dbraw/zinc/41/04/44/532410444.db2.gz AEJNDHQULKYDTD-AHIWAGSCSA-N 2 2 396.329 2.490 20 0 GEADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)C[C@H](C)O1 ZINC000517231325 532410448 /nfs/dbraw/zinc/41/04/48/532410448.db2.gz AEJNDHQULKYDTD-AHIWAGSCSA-N 2 2 396.329 2.490 20 0 GEADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCc2ccc(Br)s2)C[C@@H](C)O1 ZINC000517358704 532415187 /nfs/dbraw/zinc/41/51/87/532415187.db2.gz KSLOQXRYRDEVIE-UPJWGTAASA-N 2 2 377.348 2.113 20 0 GEADLP C[NH+](C)CCN1CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1=O ZINC000649686515 532422789 /nfs/dbraw/zinc/42/27/89/532422789.db2.gz LCGXBUQTKQOSRT-UHFFFAOYSA-N 2 2 387.311 2.028 20 0 GEADLP C[NH+](C)CCN1CC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1=O ZINC000649686515 532422793 /nfs/dbraw/zinc/42/27/93/532422793.db2.gz LCGXBUQTKQOSRT-UHFFFAOYSA-N 2 2 387.311 2.028 20 0 GEADLP Cc1cc(Br)cn2c(CN3CC[N@H+](CCO)C(C)(C)C3)c[nH+]c12 ZINC000682167026 532442854 /nfs/dbraw/zinc/44/28/54/532442854.db2.gz XXYLRHPMNSTJOJ-UHFFFAOYSA-N 2 2 381.318 2.294 20 0 GEADLP Cc1cc(Br)cn2c(CN3CC[N@@H+](CCO)C(C)(C)C3)c[nH+]c12 ZINC000682167026 532442863 /nfs/dbraw/zinc/44/28/63/532442863.db2.gz XXYLRHPMNSTJOJ-UHFFFAOYSA-N 2 2 381.318 2.294 20 0 GEADLP C[NH+]1CCN(C(=O)CC2CCN(c3cc[nH+]cc3Br)CC2)CC1 ZINC000373446227 532450411 /nfs/dbraw/zinc/45/04/11/532450411.db2.gz BXWLBUDHTUGQMT-UHFFFAOYSA-N 2 2 381.318 2.225 20 0 GEADLP C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430614389 532502073 /nfs/dbraw/zinc/50/20/73/532502073.db2.gz YYDLPSAPUDEYNZ-VXGBXAGGSA-N 2 2 387.311 2.107 20 0 GEADLP C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430614389 532502077 /nfs/dbraw/zinc/50/20/77/532502077.db2.gz YYDLPSAPUDEYNZ-VXGBXAGGSA-N 2 2 387.311 2.107 20 0 GEADLP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1ccccc1I ZINC000431042886 532504818 /nfs/dbraw/zinc/50/48/18/532504818.db2.gz MFONIGWIHKJDSR-UHFFFAOYSA-N 2 2 399.276 2.305 20 0 GEADLP C[N@@H+]1CCN(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000521583227 532516220 /nfs/dbraw/zinc/51/62/20/532516220.db2.gz OTJXLJQWAHDTQA-LLVKDONJSA-N 2 2 380.798 2.388 20 0 GEADLP C[N@H+]1CCN(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000521583227 532516222 /nfs/dbraw/zinc/51/62/22/532516222.db2.gz OTJXLJQWAHDTQA-LLVKDONJSA-N 2 2 380.798 2.388 20 0 GEADLP C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430611376 532501257 /nfs/dbraw/zinc/50/12/57/532501257.db2.gz NYDCNJPXAICLKU-NEPJUHHUSA-N 2 2 387.311 2.107 20 0 GEADLP C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430611376 532501262 /nfs/dbraw/zinc/50/12/62/532501262.db2.gz NYDCNJPXAICLKU-NEPJUHHUSA-N 2 2 387.311 2.107 20 0 GEADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccccc2Br)C[C@@H](C)O1 ZINC000564864615 532535787 /nfs/dbraw/zinc/53/57/87/532535787.db2.gz PKRLYGJGEXMTQW-LTKULKHWSA-N 2 2 383.330 2.365 20 0 GEADLP CCOc1cc(Br)c(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1OCC ZINC000653076950 532528726 /nfs/dbraw/zinc/52/87/26/532528726.db2.gz JSALBZGNRGUVRE-LBPRGKRZSA-N 2 2 388.306 2.464 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3c(F)cncc3Br)CC2)CC1 ZINC000630863033 532532203 /nfs/dbraw/zinc/53/22/03/532532203.db2.gz PLTJLAOOPVRNAD-UHFFFAOYSA-N 2 2 399.308 2.272 20 0 GEADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)nc12 ZINC000564825588 532533084 /nfs/dbraw/zinc/53/30/84/532533084.db2.gz USOSFIZBYAQQMO-IRXDYDNUSA-N 2 2 393.329 2.304 20 0 GEADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]CCCNC(=O)C(F)(F)F)[C@H](C)C2)s1 ZINC000375514700 532563800 /nfs/dbraw/zinc/56/38/00/532563800.db2.gz OBRCWEUPMMUBEE-RISCZKNCSA-N 2 2 378.464 2.320 20 0 GEADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]CCCNC(=O)C(F)(F)F)[C@H](C)C2)s1 ZINC000375514700 532563801 /nfs/dbraw/zinc/56/38/01/532563801.db2.gz OBRCWEUPMMUBEE-RISCZKNCSA-N 2 2 378.464 2.320 20 0 GEADLP C[N@H+](C[C@@H](O)CN(CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1CC1 ZINC000565510794 532566923 /nfs/dbraw/zinc/56/69/23/532566923.db2.gz VCSUGACKIGPESM-OAHLLOKOSA-N 2 2 397.317 2.196 20 0 GEADLP C[N@@H+](C[C@@H](O)CN(CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1CC1 ZINC000565510794 532566929 /nfs/dbraw/zinc/56/69/29/532566929.db2.gz VCSUGACKIGPESM-OAHLLOKOSA-N 2 2 397.317 2.196 20 0 GEADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(Br)cc1C(F)(F)F ZINC000262048771 532583292 /nfs/dbraw/zinc/58/32/92/532583292.db2.gz ZIZYYDMUMFFNFM-UHFFFAOYSA-N 2 2 394.235 2.332 20 0 GEADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(Br)cc1C(F)(F)F ZINC000262048771 532583297 /nfs/dbraw/zinc/58/32/97/532583297.db2.gz ZIZYYDMUMFFNFM-UHFFFAOYSA-N 2 2 394.235 2.332 20 0 GEADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000375832177 532583480 /nfs/dbraw/zinc/58/34/80/532583480.db2.gz WLJWTFZDZAQQOX-CPUCHLNUSA-N 2 2 395.349 2.440 20 0 GEADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000375832177 532583485 /nfs/dbraw/zinc/58/34/85/532583485.db2.gz WLJWTFZDZAQQOX-CPUCHLNUSA-N 2 2 395.349 2.440 20 0 GEADLP COc1ccc(Br)cc1C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000261959447 532580144 /nfs/dbraw/zinc/58/01/44/532580144.db2.gz HCDRVRNIPFSVQH-OAHLLOKOSA-N 2 2 384.318 2.277 20 0 GEADLP COc1ccc(Br)cc1C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000261959447 532580150 /nfs/dbraw/zinc/58/01/50/532580150.db2.gz HCDRVRNIPFSVQH-OAHLLOKOSA-N 2 2 384.318 2.277 20 0 GEADLP O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000375748376 532580982 /nfs/dbraw/zinc/58/09/82/532580982.db2.gz YMIQUMDCCVIFCS-AWEZNQCLSA-N 2 2 376.507 2.196 20 0 GEADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](c2cc(Cl)ccc2Cl)[C@@H]2CCOC2)CC1 ZINC000376176449 532599340 /nfs/dbraw/zinc/59/93/40/532599340.db2.gz BEDRLKIVPZNQGQ-ACJLOTCBSA-N 2 2 386.323 2.435 20 0 GEADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](c2cc(Cl)ccc2Cl)[C@@H]2CCOC2)CC1 ZINC000376176450 532599904 /nfs/dbraw/zinc/59/99/04/532599904.db2.gz BEDRLKIVPZNQGQ-FZKQIMNGSA-N 2 2 386.323 2.435 20 0 GEADLP Cn1c[nH+]cc1CC[N@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000297720744 532605775 /nfs/dbraw/zinc/60/57/75/532605775.db2.gz RUMKKVRWYNGGFX-UHFFFAOYSA-N 2 2 375.274 2.438 20 0 GEADLP Cn1c[nH+]cc1CC[N@@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000297720744 532605779 /nfs/dbraw/zinc/60/57/79/532605779.db2.gz RUMKKVRWYNGGFX-UHFFFAOYSA-N 2 2 375.274 2.438 20 0 GEADLP Cn1c[nH+]cc1CC[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000297735924 532605933 /nfs/dbraw/zinc/60/59/33/532605933.db2.gz KEZBSOJZFYJEKC-UHFFFAOYSA-N 2 2 377.286 2.183 20 0 GEADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000436047815 532624524 /nfs/dbraw/zinc/62/45/24/532624524.db2.gz FMIAUCUOCMSEKD-ZDUSSCGKSA-N 2 2 387.311 2.251 20 0 GEADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000436047815 532624530 /nfs/dbraw/zinc/62/45/30/532624530.db2.gz FMIAUCUOCMSEKD-ZDUSSCGKSA-N 2 2 387.311 2.251 20 0 GEADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000533469897 532664449 /nfs/dbraw/zinc/66/44/49/532664449.db2.gz SLCBWCRKYXIROA-ZDUSSCGKSA-N 2 2 379.302 2.231 20 0 GEADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000533469897 532664453 /nfs/dbraw/zinc/66/44/53/532664453.db2.gz SLCBWCRKYXIROA-ZDUSSCGKSA-N 2 2 379.302 2.231 20 0 GEADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000533469897 532664460 /nfs/dbraw/zinc/66/44/60/532664460.db2.gz SLCBWCRKYXIROA-ZDUSSCGKSA-N 2 2 379.302 2.231 20 0 GEADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000533469897 532664463 /nfs/dbraw/zinc/66/44/63/532664463.db2.gz SLCBWCRKYXIROA-ZDUSSCGKSA-N 2 2 379.302 2.231 20 0 GEADLP CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000377617998 532664718 /nfs/dbraw/zinc/66/47/18/532664718.db2.gz BNMUXQORXXCKDK-CRAIPNDOSA-N 2 2 385.599 2.410 20 0 GEADLP CC1(C)CC[NH+](CCCC[N@@H+]2CC[S@@](=O)C(C)(C)CC2)CC[S@@]1=O ZINC000567348510 532650630 /nfs/dbraw/zinc/65/06/30/532650630.db2.gz DQVJKGDZSPTOFV-PSWAGMNNSA-N 2 2 376.632 2.233 20 0 GEADLP CC1(C)CC[NH+](CCCC[N@H+]2CC[S@@](=O)C(C)(C)CC2)CC[S@@]1=O ZINC000567348510 532650633 /nfs/dbraw/zinc/65/06/33/532650633.db2.gz DQVJKGDZSPTOFV-PSWAGMNNSA-N 2 2 376.632 2.233 20 0 GEADLP O[C@H](C[NH2+]Cc1ccc(I)c(Cl)c1)C[NH+]1CCCC1 ZINC000600734602 532680408 /nfs/dbraw/zinc/68/04/08/532680408.db2.gz HXBADENUNLMZOA-GFCCVEGCSA-N 2 2 394.684 2.491 20 0 GEADLP NS(=O)(=O)c1ccc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)cc1Br ZINC000638086107 532680514 /nfs/dbraw/zinc/68/05/14/532680514.db2.gz PITWARPOKVCKGR-UHFFFAOYSA-N 2 2 399.314 2.199 20 0 GEADLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000666074416 532696596 /nfs/dbraw/zinc/69/65/96/532696596.db2.gz KUAXSEAWCLWZNZ-UHFFFAOYSA-N 2 2 377.286 2.426 20 0 GEADLP CCc1ccc(C[NH+]2CCN(C(=O)NCC[NH+]3CCSCC3)CC2)s1 ZINC000606687743 532701947 /nfs/dbraw/zinc/70/19/47/532701947.db2.gz PYBQXVVWLUFHRJ-UHFFFAOYSA-N 2 2 382.599 2.187 20 0 GEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000582601514 532760878 /nfs/dbraw/zinc/76/08/78/532760878.db2.gz NWWFJZCQLDYJOT-XQAQDONZSA-N 2 2 387.293 2.400 20 0 GEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000582601514 532760886 /nfs/dbraw/zinc/76/08/86/532760886.db2.gz NWWFJZCQLDYJOT-XQAQDONZSA-N 2 2 387.293 2.400 20 0 GEADLP C[NH+]1CCN(C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)CC1 ZINC000413872517 532815727 /nfs/dbraw/zinc/81/57/27/532815727.db2.gz FGDJAMDPFIBQHT-UHFFFAOYSA-N 2 2 395.345 2.371 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ncsc3Br)CC2)CC1 ZINC000288123053 532818246 /nfs/dbraw/zinc/81/82/46/532818246.db2.gz YIUVZXADSWCJMQ-UHFFFAOYSA-N 2 2 387.347 2.194 20 0 GEADLP CN(C)c1[nH+]cc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)n1C ZINC000414352557 532821959 /nfs/dbraw/zinc/82/19/59/532821959.db2.gz XERSVYRKSXSWAV-UHFFFAOYSA-N 2 2 394.317 2.158 20 0 GEADLP COc1cc(C[NH2+][C@H]2CCC[NH2+]C2)cc(I)c1OC ZINC000414869583 532835685 /nfs/dbraw/zinc/83/56/85/532835685.db2.gz RKWPWHLOGDOGRK-NSHDSACASA-N 2 2 376.238 2.150 20 0 GEADLP COc1c(Br)cccc1C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415127455 532838727 /nfs/dbraw/zinc/83/87/27/532838727.db2.gz NDZYQEXVSWVSHT-AWEZNQCLSA-N 2 2 380.290 2.345 20 0 GEADLP COc1c(Br)cccc1C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415127455 532838730 /nfs/dbraw/zinc/83/87/30/532838730.db2.gz NDZYQEXVSWVSHT-AWEZNQCLSA-N 2 2 380.290 2.345 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)[nH+]c12 ZINC000333727561 532872610 /nfs/dbraw/zinc/87/26/10/532872610.db2.gz HGXDMDCPXKDGHJ-OLZOCXBDSA-N 2 2 392.301 2.156 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)[nH+]c12 ZINC000333842627 532874087 /nfs/dbraw/zinc/87/40/87/532874087.db2.gz VLQIJWGUSXRPRP-WFASDCNBSA-N 2 2 392.301 2.299 20 0 GEADLP C[C@H](C[NH2+]Cc1nc2ccccn2c1Br)CN1CC[NH+](C)CC1 ZINC000290478014 532881885 /nfs/dbraw/zinc/88/18/85/532881885.db2.gz VDORDDOGNZKZRG-CQSZACIVSA-N 2 2 380.334 2.070 20 0 GEADLP [NH3+][C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)c2ccccc21 ZINC000423098019 532893980 /nfs/dbraw/zinc/89/39/80/532893980.db2.gz JQDNBWVRKQVEKJ-HZPDHXFCSA-N 2 2 383.876 2.492 20 0 GEADLP C[C@@H](c1ncc(Br)cn1)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367875383 532928411 /nfs/dbraw/zinc/92/84/11/532928411.db2.gz TXQNQUYIONGIQA-KBPBESRZSA-N 2 2 382.350 2.400 20 0 GEADLP C[C@@H](c1ncc(Br)cn1)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367875383 532928412 /nfs/dbraw/zinc/92/84/12/532928412.db2.gz TXQNQUYIONGIQA-KBPBESRZSA-N 2 2 382.350 2.400 20 0 GEADLP CSc1nc2ncnc(N(C)[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c2s1 ZINC000367501822 532925782 /nfs/dbraw/zinc/92/57/82/532925782.db2.gz BSPJTIRDADJZIG-ZDUSSCGKSA-N 2 2 378.571 2.413 20 0 GEADLP CSc1nc2ncnc(N(C)[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c2s1 ZINC000367501822 532925784 /nfs/dbraw/zinc/92/57/84/532925784.db2.gz BSPJTIRDADJZIG-ZDUSSCGKSA-N 2 2 378.571 2.413 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3ccccc3Br)C2)CC1 ZINC000369277078 532938015 /nfs/dbraw/zinc/93/80/15/532938015.db2.gz JSQBMOGWESTAMZ-HNNXBMFYSA-N 2 2 380.330 2.276 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3ccccc3Br)C2)CC1 ZINC000369277078 532938017 /nfs/dbraw/zinc/93/80/17/532938017.db2.gz JSQBMOGWESTAMZ-HNNXBMFYSA-N 2 2 380.330 2.276 20 0 GEADLP CN(Cc1ccc(Br)o1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369365080 532938824 /nfs/dbraw/zinc/93/88/24/532938824.db2.gz XODZZRRFCSEFSW-ZDUSSCGKSA-N 2 2 399.333 2.352 20 0 GEADLP CN(Cc1ccc(Br)o1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369365080 532938825 /nfs/dbraw/zinc/93/88/25/532938825.db2.gz XODZZRRFCSEFSW-ZDUSSCGKSA-N 2 2 399.333 2.352 20 0 GEADLP C[NH+]1CCN(C[C@H]2CCC[N@H+](C[C@H](O)c3cccc(Br)c3)C2)CC1 ZINC000371421919 532948026 /nfs/dbraw/zinc/94/80/26/532948026.db2.gz BOAHULIEIXOFHH-APWZRJJASA-N 2 2 396.373 2.442 20 0 GEADLP C[NH+]1CCN(C[C@H]2CCC[N@@H+](C[C@H](O)c3cccc(Br)c3)C2)CC1 ZINC000371421919 532948027 /nfs/dbraw/zinc/94/80/27/532948027.db2.gz BOAHULIEIXOFHH-APWZRJJASA-N 2 2 396.373 2.442 20 0 GEADLP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@@H](C)[NH+]3CCSCC3)[C@@H](C)C2)s1 ZINC000371018033 532946596 /nfs/dbraw/zinc/94/65/96/532946596.db2.gz VMCHRVUEQOTEHF-VBQJREDUSA-N 2 2 382.599 2.215 20 0 GEADLP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](C)[NH+]3CCSCC3)[C@@H](C)C2)s1 ZINC000371018033 532946597 /nfs/dbraw/zinc/94/65/97/532946597.db2.gz VMCHRVUEQOTEHF-VBQJREDUSA-N 2 2 382.599 2.215 20 0 GEADLP COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000737032478 598985014 /nfs/dbraw/zinc/98/50/14/598985014.db2.gz LFPRNTIAGUIHJZ-HNNXBMFYSA-N 2 2 395.467 2.083 20 0 GEADLP COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000737032478 598985015 /nfs/dbraw/zinc/98/50/15/598985015.db2.gz LFPRNTIAGUIHJZ-HNNXBMFYSA-N 2 2 395.467 2.083 20 0 GEADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[C@@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000822195116 599051227 /nfs/dbraw/zinc/05/12/27/599051227.db2.gz HVNSUZADGWPAEP-INIZCTEOSA-N 2 2 393.495 2.190 20 0 GEADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736530296 599090670 /nfs/dbraw/zinc/09/06/70/599090670.db2.gz HMGWKZAXAPUHOW-LJQANCHMSA-N 2 2 393.495 2.025 20 0 GEADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736135373 599286209 /nfs/dbraw/zinc/28/62/09/599286209.db2.gz XWJRLEMQWIWMDN-LBPRGKRZSA-N 2 2 391.907 2.310 20 0 GEADLP O=C(CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737840171 598762740 /nfs/dbraw/zinc/76/27/40/598762740.db2.gz ZZXWCYLFXCIRDK-HNNXBMFYSA-N 2 2 392.467 2.024 20 0 GEADLP O=C(CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737840171 598762741 /nfs/dbraw/zinc/76/27/41/598762741.db2.gz ZZXWCYLFXCIRDK-HNNXBMFYSA-N 2 2 392.467 2.024 20 0 GEADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)c2c1 ZINC000737248860 599320258 /nfs/dbraw/zinc/32/02/58/599320258.db2.gz NIRITVHAGGOCBT-ZWKOTPCHSA-N 2 2 393.495 2.067 20 0 GEADLP COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1-c1nn[nH]n1 ZINC000821818663 599409390 /nfs/dbraw/zinc/40/93/90/599409390.db2.gz XACXAYUJIWUQIE-UHFFFAOYSA-N 2 2 376.424 2.054 20 0 GEADLP c1cn(Cc2cccc(C[NH2+]Cc3cnc4ccc(-c5nn[nH]n5)cn34)c2)c[nH+]1 ZINC000738413214 599485922 /nfs/dbraw/zinc/48/59/22/599485922.db2.gz NYKGNRXUZNVXMT-UHFFFAOYSA-N 2 2 385.435 2.049 20 0 GEADLP CCOCC[N@@H+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C[C@H]1CC ZINC000821378405 599533737 /nfs/dbraw/zinc/53/37/37/599533737.db2.gz NJQMDHFXYJSDNM-OAHLLOKOSA-N 2 2 381.484 2.352 20 0 GEADLP CCOCC[N@H+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C[C@H]1CC ZINC000821378405 599533738 /nfs/dbraw/zinc/53/37/38/599533738.db2.gz NJQMDHFXYJSDNM-OAHLLOKOSA-N 2 2 381.484 2.352 20 0 GEADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC(OCC[NH+](C)C)CC1 ZINC000822331997 606163587 /nfs/dbraw/zinc/16/35/87/606163587.db2.gz KKJQNJKCIBKODG-UHFFFAOYSA-N 2 2 381.484 2.270 20 0 GEADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824991915 608281111 /nfs/dbraw/zinc/28/11/11/608281111.db2.gz IEQWHDFGEMMGMA-OXJNMPFZSA-N 2 2 393.495 2.141 20 0 GEADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824991915 608281113 /nfs/dbraw/zinc/28/11/13/608281113.db2.gz IEQWHDFGEMMGMA-OXJNMPFZSA-N 2 2 393.495 2.141 20 0 GEADLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824627491 609137354 /nfs/dbraw/zinc/13/73/54/609137354.db2.gz XYKQWNXVVFJLOB-AWEZNQCLSA-N 2 2 396.474 2.003 20 0 GEADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824576998 609145996 /nfs/dbraw/zinc/14/59/96/609145996.db2.gz FTLOJYYSSDHRFI-BTYIYWSLSA-N 2 2 396.470 2.293 20 0 GEADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824576998 609145998 /nfs/dbraw/zinc/14/59/98/609145998.db2.gz FTLOJYYSSDHRFI-BTYIYWSLSA-N 2 2 396.470 2.293 20 0 GEADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000826513610 609367928 /nfs/dbraw/zinc/36/79/28/609367928.db2.gz QHEVUSBMTBNAKA-VAMGGRTRSA-N 2 2 394.523 2.378 20 0 GEADLP C[N@H+](Cc1cc(Br)c2c(c1)OCCO2)C1CC[NH+](CCO)CC1 ZINC000513568140 650565058 /nfs/dbraw/zinc/56/50/58/650565058.db2.gz KRIXVXJRQZUUQI-UHFFFAOYSA-N 2 2 385.302 2.109 20 0 GEADLP C[N@@H+](Cc1cc(Br)c2c(c1)OCCO2)C1CC[NH+](CCO)CC1 ZINC000513568140 650565060 /nfs/dbraw/zinc/56/50/60/650565060.db2.gz KRIXVXJRQZUUQI-UHFFFAOYSA-N 2 2 385.302 2.109 20 0 GEADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000519608401 650609318 /nfs/dbraw/zinc/60/93/18/650609318.db2.gz NFQSWQFIVWRAIM-HUUCEWRRSA-N 2 2 377.312 2.170 20 0 GEADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000519608401 650609320 /nfs/dbraw/zinc/60/93/20/650609320.db2.gz NFQSWQFIVWRAIM-HUUCEWRRSA-N 2 2 377.312 2.170 20 0 GEADLP C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000484920634 650691129 /nfs/dbraw/zinc/69/11/29/650691129.db2.gz XLDNQNCKJOEBTK-QJPTWQEYSA-N 2 2 387.265 2.287 20 0 GEADLP C[C@H](C(=O)Nc1cccc(I)c1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000484920634 650691131 /nfs/dbraw/zinc/69/11/31/650691131.db2.gz XLDNQNCKJOEBTK-QJPTWQEYSA-N 2 2 387.265 2.287 20 0 GEADLP C[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C[C@H]1CCC[NH+](C)C1 ZINC000532580897 650750229 /nfs/dbraw/zinc/75/02/29/650750229.db2.gz FPYQMGLLKHTKCN-ZDUSSCGKSA-N 2 2 379.302 2.231 20 0 GEADLP C[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C[C@H]1CCC[NH+](C)C1 ZINC000532580897 650750233 /nfs/dbraw/zinc/75/02/33/650750233.db2.gz FPYQMGLLKHTKCN-ZDUSSCGKSA-N 2 2 379.302 2.231 20 0 GEADLP C[NH+](Cc1cc(=O)n2cc(Br)ccc2n1)C[C@H]1CCC[N@H+](C)C1 ZINC000532580897 650750236 /nfs/dbraw/zinc/75/02/36/650750236.db2.gz FPYQMGLLKHTKCN-ZDUSSCGKSA-N 2 2 379.302 2.231 20 0 GEADLP C[NH+](Cc1cc(=O)n2cc(Br)ccc2n1)C[C@H]1CCC[N@@H+](C)C1 ZINC000532580897 650750238 /nfs/dbraw/zinc/75/02/38/650750238.db2.gz FPYQMGLLKHTKCN-ZDUSSCGKSA-N 2 2 379.302 2.231 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)NC[C@@H]3CCC[N@H+]3C)[nH+]c12 ZINC000543697550 650920283 /nfs/dbraw/zinc/92/02/83/650920283.db2.gz MONQVSGSEWDUDX-HNNXBMFYSA-N 2 2 394.317 2.341 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)NC[C@@H]3CCC[N@@H+]3C)[nH+]c12 ZINC000543697550 650920286 /nfs/dbraw/zinc/92/02/86/650920286.db2.gz MONQVSGSEWDUDX-HNNXBMFYSA-N 2 2 394.317 2.341 20 0 GEADLP C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261824469 645603832 /nfs/dbraw/zinc/60/38/32/645603832.db2.gz YFZZCMXBRJJXON-NHYWBVRUSA-N 2 2 387.265 2.289 20 0 GEADLP C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261824469 645603838 /nfs/dbraw/zinc/60/38/38/645603838.db2.gz YFZZCMXBRJJXON-NHYWBVRUSA-N 2 2 387.265 2.289 20 0 GEADLP O=S1(=O)CC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2cc(Br)ccc21 ZINC000547655520 651041027 /nfs/dbraw/zinc/04/10/27/651041027.db2.gz PSXQCRPALGMHCD-JSGCOSHPSA-N 2 2 396.310 2.469 20 0 GEADLP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)c(Br)c1 ZINC000271857124 646235491 /nfs/dbraw/zinc/23/54/91/646235491.db2.gz JOQGIVVJXPUOEN-BLLLJJGKSA-N 2 2 384.318 2.448 20 0 GEADLP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)c(Br)c1 ZINC000271857124 646235497 /nfs/dbraw/zinc/23/54/97/646235497.db2.gz JOQGIVVJXPUOEN-BLLLJJGKSA-N 2 2 384.318 2.448 20 0 GEADLP CC[N@H+](C)CCNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273360256 646312985 /nfs/dbraw/zinc/31/29/85/646312985.db2.gz FEQFBFLKSRXOMH-UHFFFAOYSA-N 2 2 382.306 2.199 20 0 GEADLP CC[N@@H+](C)CCNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273360256 646312988 /nfs/dbraw/zinc/31/29/88/646312988.db2.gz FEQFBFLKSRXOMH-UHFFFAOYSA-N 2 2 382.306 2.199 20 0 GEADLP C[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(Br)cn1 ZINC000279767294 646625424 /nfs/dbraw/zinc/62/54/24/646625424.db2.gz JWFQGJKDUOUBNT-CYBMUJFWSA-N 2 2 391.317 2.237 20 0 GEADLP O[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)COc1ccc(Cl)cc1Cl ZINC000325859289 647303913 /nfs/dbraw/zinc/30/39/13/647303913.db2.gz XQDKFAKTGTVMHH-KFWWJZLASA-N 2 2 375.296 2.186 20 0 GEADLP O[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)COc1ccc(Cl)cc1Cl ZINC000325859289 647303918 /nfs/dbraw/zinc/30/39/18/647303918.db2.gz XQDKFAKTGTVMHH-KFWWJZLASA-N 2 2 375.296 2.186 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3CCC(C[NH3+])CC3)[nH+]c12 ZINC000418014966 648269479 /nfs/dbraw/zinc/26/94/79/648269479.db2.gz CXHRLYIGMPWOSZ-UHFFFAOYSA-N 2 2 394.317 2.328 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)[nH+]c12 ZINC000418015872 648269898 /nfs/dbraw/zinc/26/98/98/648269898.db2.gz FFDUXZIBVKSWSJ-XHDPSFHLSA-N 2 2 394.317 2.245 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@@H]([C@H](C)[NH3+])C3)[nH+]c12 ZINC000418020866 648271346 /nfs/dbraw/zinc/27/13/46/648271346.db2.gz OHSBYDVLVPOBNW-QWHCGFSZSA-N 2 2 394.317 2.326 20 0 GEADLP [NH3+]C1(CNS(=O)(=O)c2sccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000420474753 648420952 /nfs/dbraw/zinc/42/09/52/648420952.db2.gz YRVNDPYSFLZTDF-UHFFFAOYSA-N 2 2 383.514 2.159 20 0 GEADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3c(Br)c(C)nn3C)CC2)CC1 ZINC000421379321 648489345 /nfs/dbraw/zinc/48/93/45/648489345.db2.gz UJPDRMDBRFQPNK-UHFFFAOYSA-N 2 2 398.393 2.483 20 0 GEADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3c(Br)c(C)nn3C)CC2)CC1 ZINC000421379321 648489348 /nfs/dbraw/zinc/48/93/48/648489348.db2.gz UJPDRMDBRFQPNK-UHFFFAOYSA-N 2 2 398.393 2.483 20 0 GEADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCOc1ccc(I)cc1 ZINC000423117102 648582453 /nfs/dbraw/zinc/58/24/53/648582453.db2.gz SZNQRKIBCOHCHB-JSGCOSHPSA-N 2 2 390.265 2.027 20 0 GEADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000567678946 651634024 /nfs/dbraw/zinc/63/40/24/651634024.db2.gz FQSJFKSBKUCKAP-MRXNPFEDSA-N 2 2 384.318 2.478 20 0 GEADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000567678946 651634026 /nfs/dbraw/zinc/63/40/26/651634026.db2.gz FQSJFKSBKUCKAP-MRXNPFEDSA-N 2 2 384.318 2.478 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)/C=C/c3ccc(Br)o3)C2)CC1 ZINC000732781753 651673973 /nfs/dbraw/zinc/67/39/73/651673973.db2.gz STVDDRFMOPDZHC-LQPUYASZSA-N 2 2 382.302 2.340 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)/C=C/c3ccc(Br)o3)C2)CC1 ZINC000732781753 651673977 /nfs/dbraw/zinc/67/39/77/651673977.db2.gz STVDDRFMOPDZHC-LQPUYASZSA-N 2 2 382.302 2.340 20 0 GEADLP C[N@@H+]1CCN(Cc2ccc(OC(F)(F)F)c(Br)c2)[C@@H](C[NH3+])C1 ZINC000572721736 651907816 /nfs/dbraw/zinc/90/78/16/651907816.db2.gz BZWRRNMZOXPKSS-NSHDSACASA-N 2 2 382.224 2.422 20 0 GEADLP C[N@H+]1CCN(Cc2ccc(OC(F)(F)F)c(Br)c2)[C@@H](C[NH3+])C1 ZINC000572721736 651907823 /nfs/dbraw/zinc/90/78/23/651907823.db2.gz BZWRRNMZOXPKSS-NSHDSACASA-N 2 2 382.224 2.422 20 0 GEADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)CC1 ZINC000572852156 651917360 /nfs/dbraw/zinc/91/73/60/651917360.db2.gz JFUTUZDGUSXWHD-MRXNPFEDSA-N 2 2 381.318 2.145 20 0 GEADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)CC1 ZINC000572852156 651917363 /nfs/dbraw/zinc/91/73/63/651917363.db2.gz JFUTUZDGUSXWHD-MRXNPFEDSA-N 2 2 381.318 2.145 20 0 GEADLP Cc1cc(C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)ncc1Br ZINC000623411154 652235783 /nfs/dbraw/zinc/23/57/83/652235783.db2.gz VENHMUZQXIQMFG-UHFFFAOYSA-N 2 2 383.334 2.185 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000628062493 652448253 /nfs/dbraw/zinc/44/82/53/652448253.db2.gz HYFZUWFJQIGMGR-CGTJXYLNSA-N 2 2 394.357 2.335 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000628062493 652448256 /nfs/dbraw/zinc/44/82/56/652448256.db2.gz HYFZUWFJQIGMGR-CGTJXYLNSA-N 2 2 394.357 2.335 20 0 GEADLP Cc1cc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)ncc1Br ZINC000628156779 652453488 /nfs/dbraw/zinc/45/34/88/652453488.db2.gz DOEWUXLHKKLWDD-UHFFFAOYSA-N 2 2 383.334 2.042 20 0 GEADLP C[NH2+][C@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1cccc(Cl)c1Cl ZINC000662476692 652463308 /nfs/dbraw/zinc/46/33/08/652463308.db2.gz OLWNPNIEHGTIFV-GUYCJALGSA-N 2 2 386.323 2.435 20 0 GEADLP C[NH2+][C@@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1cccc(Cl)c1Cl ZINC000662476693 652463452 /nfs/dbraw/zinc/46/34/52/652463452.db2.gz OLWNPNIEHGTIFV-SUMWQHHRSA-N 2 2 386.323 2.435 20 0 GEADLP C[NH2+]CCOCC[N@H+](C)Cc1nc(-c2ccc(Br)s2)no1 ZINC000629572142 652493786 /nfs/dbraw/zinc/49/37/86/652493786.db2.gz WZDFWMJELWXOBU-UHFFFAOYSA-N 2 2 375.292 2.228 20 0 GEADLP C[NH2+]CCOCC[N@@H+](C)Cc1nc(-c2ccc(Br)s2)no1 ZINC000629572142 652493791 /nfs/dbraw/zinc/49/37/91/652493791.db2.gz WZDFWMJELWXOBU-UHFFFAOYSA-N 2 2 375.292 2.228 20 0 GEADLP COc1ncc(Br)cc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629591929 652494587 /nfs/dbraw/zinc/49/45/87/652494587.db2.gz UHDJXFBYJJDHKK-INIZCTEOSA-N 2 2 384.318 2.443 20 0 GEADLP CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000584377836 652518885 /nfs/dbraw/zinc/51/88/85/652518885.db2.gz HUKUAWAUNJUKIL-UKRRQHHQSA-N 2 2 385.496 2.101 20 0 GEADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C[C@](C)(O)C[NH2+]C)CC1 ZINC000584474641 652522335 /nfs/dbraw/zinc/52/23/35/652522335.db2.gz BPBWCLDCFQWYSH-QZTJIDSGSA-N 2 2 384.362 2.488 20 0 GEADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000639360605 652934273 /nfs/dbraw/zinc/93/42/73/652934273.db2.gz YUZFUUOUEWDEKH-GOEBONIOSA-N 2 2 379.551 2.253 20 0 GEADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000639360605 652934280 /nfs/dbraw/zinc/93/42/80/652934280.db2.gz YUZFUUOUEWDEKH-GOEBONIOSA-N 2 2 379.551 2.253 20 0 GEADLP Brc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000675886567 652946465 /nfs/dbraw/zinc/94/64/65/652946465.db2.gz SODHSYUVZAVZTL-IEBWSBKVSA-N 2 2 394.357 2.433 20 0 GEADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000639766489 652952598 /nfs/dbraw/zinc/95/25/98/652952598.db2.gz PZZMYSVVUJKEBH-PBHICJAKSA-N 2 2 377.312 2.122 20 0 GEADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000639766489 652952600 /nfs/dbraw/zinc/95/26/00/652952600.db2.gz PZZMYSVVUJKEBH-PBHICJAKSA-N 2 2 377.312 2.122 20 0 GEADLP Nc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786048 653233806 /nfs/dbraw/zinc/23/38/06/653233806.db2.gz NESCHNMFPKMHQZ-INIZCTEOSA-N 2 2 387.355 2.462 20 0 GEADLP Cc1c(Br)cncc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641787184 653233927 /nfs/dbraw/zinc/23/39/27/653233927.db2.gz QPEQYXPXCMKBAM-KRWDZBQOSA-N 2 2 397.361 2.039 20 0 GEADLP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2nc3ccccn3c2Br)CC1 ZINC000809606116 653284018 /nfs/dbraw/zinc/28/40/18/653284018.db2.gz MLACVSDIQKHIJH-AWEZNQCLSA-N 2 2 380.334 2.212 20 0 GEADLP CN(C(=O)c1csc(Br)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000874460380 653321378 /nfs/dbraw/zinc/32/13/78/653321378.db2.gz VOLNLJOHMUDEAM-GFCCVEGCSA-N 2 2 387.347 2.146 20 0 GEADLP CN(C(=O)c1csc(Br)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000874460380 653321386 /nfs/dbraw/zinc/32/13/86/653321386.db2.gz VOLNLJOHMUDEAM-GFCCVEGCSA-N 2 2 387.347 2.146 20 0 GEADLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cn(C)nc3Br)cn2)CC1 ZINC000858099372 653348545 /nfs/dbraw/zinc/34/85/45/653348545.db2.gz LWZKTHLXLGUYGQ-UHFFFAOYSA-N 2 2 393.333 2.009 20 0 GEADLP O[C@@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000819076688 653742537 /nfs/dbraw/zinc/74/25/37/653742537.db2.gz CWOQLSSGLHXYFX-QAPCUYQASA-N 2 2 388.339 2.023 20 0 GEADLP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCS(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000842478818 653757742 /nfs/dbraw/zinc/75/77/42/653757742.db2.gz KUOVZWFMSSFFMV-SJLPKXTDSA-N 2 2 386.945 2.332 20 0 GEADLP CC(C)(O)C[NH+]1CCC([NH2+]CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000820814349 653784526 /nfs/dbraw/zinc/78/45/26/653784526.db2.gz JANQDOAYSJHUCO-UHFFFAOYSA-N 2 2 384.318 2.213 20 0 GEADLP [NH2+]=C(NOCc1cc(Br)no1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000793842808 653886268 /nfs/dbraw/zinc/88/62/68/653886268.db2.gz IUSLIZHOMKFCFJ-CQSZACIVSA-N 2 2 395.257 2.337 20 0 GEADLP [NH2+]=C(NOCc1cc(Br)no1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000793842808 653886273 /nfs/dbraw/zinc/88/62/73/653886273.db2.gz IUSLIZHOMKFCFJ-CQSZACIVSA-N 2 2 395.257 2.337 20 0 GEADLP C[N@H+](CC(F)F)C1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000847532774 653932591 /nfs/dbraw/zinc/93/25/91/653932591.db2.gz RPNXBAARGUISIP-MRXNPFEDSA-N 2 2 375.529 2.392 20 0 GEADLP C[N@@H+](CC(F)F)C1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000847532774 653932594 /nfs/dbraw/zinc/93/25/94/653932594.db2.gz RPNXBAARGUISIP-MRXNPFEDSA-N 2 2 375.529 2.392 20 0 GEADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)C1 ZINC000847872819 653950197 /nfs/dbraw/zinc/95/01/97/653950197.db2.gz OFYVGBJRGLDZBU-AWEZNQCLSA-N 2 2 395.345 2.481 20 0 GEADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)C1 ZINC000847872819 653950204 /nfs/dbraw/zinc/95/02/04/653950204.db2.gz OFYVGBJRGLDZBU-AWEZNQCLSA-N 2 2 395.345 2.481 20 0 GEADLP CCOCCCNC(=[NH2+])NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000849081991 654003864 /nfs/dbraw/zinc/00/38/64/654003864.db2.gz IGCLRRUCRALGBK-UHFFFAOYSA-N 2 2 382.306 2.488 20 0 GEADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cnc(Br)s2)CC1 ZINC000902813028 654199275 /nfs/dbraw/zinc/19/92/75/654199275.db2.gz OCIOMLTWSXWOBM-UHFFFAOYSA-N 2 2 382.287 2.305 20 0 GEADLP CC(C)OCC[NH+]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870896521 654206285 /nfs/dbraw/zinc/20/62/85/654206285.db2.gz VCFXPSVRABTXMR-INIZCTEOSA-N 2 2 384.318 2.018 20 0 GEADLP Cc1cccc(Cl)c1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562783 654256740 /nfs/dbraw/zinc/25/67/40/654256740.db2.gz TZMYOBSQYLWYRG-IYBDPMFKSA-N 2 2 383.945 2.238 20 0 GEADLP Cc1cccc(Cl)c1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562783 654256746 /nfs/dbraw/zinc/25/67/46/654256746.db2.gz TZMYOBSQYLWYRG-IYBDPMFKSA-N 2 2 383.945 2.238 20 0 GEADLP C[N@@H+]1CC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000921487774 654274050 /nfs/dbraw/zinc/27/40/50/654274050.db2.gz WREGYMGXOZWTTB-QGZVFWFLSA-N 2 2 395.345 2.417 20 0 GEADLP C[N@H+]1CC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000921487774 654274052 /nfs/dbraw/zinc/27/40/52/654274052.db2.gz WREGYMGXOZWTTB-QGZVFWFLSA-N 2 2 395.345 2.417 20 0 GEADLP C[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@H](CO)c1cccc(Br)c1 ZINC000903897667 654291129 /nfs/dbraw/zinc/29/11/29/654291129.db2.gz IGPXBCFVOZIQDT-NVXWUHKLSA-N 2 2 394.317 2.131 20 0 GEADLP C[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@H](CO)c1cccc(Br)c1 ZINC000903897667 654291131 /nfs/dbraw/zinc/29/11/31/654291131.db2.gz IGPXBCFVOZIQDT-NVXWUHKLSA-N 2 2 394.317 2.131 20 0 GEADLP CS(=O)(=O)CCSc1cc(Br)ccc1C[NH2+]CC1([NH3+])CC1 ZINC000904442628 654311300 /nfs/dbraw/zinc/31/13/00/654311300.db2.gz FYZPEAFOGGMAHQ-UHFFFAOYSA-N 2 2 393.372 2.167 20 0 GEADLP Oc1cc(Br)cnc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000893114902 654383226 /nfs/dbraw/zinc/38/32/26/654383226.db2.gz YCGOCJJESFAWLI-HOTGVXAUSA-N 2 2 384.318 2.407 20 0 GEADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1c(I)cnn1C ZINC000873276321 654423597 /nfs/dbraw/zinc/42/35/97/654423597.db2.gz OOTCFURDTNPKQJ-SECBINFHSA-N 2 2 385.253 2.038 20 0 GEADLP Cn1ncc(I)c1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000894383216 654471764 /nfs/dbraw/zinc/47/17/64/654471764.db2.gz CUJIKFBWMVFXRN-UHFFFAOYSA-N 2 2 384.265 2.376 20 0 GEADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1(Br)CC1 ZINC000924879700 654527513 /nfs/dbraw/zinc/52/75/13/654527513.db2.gz PMMQVVQIOQMKRU-CQSZACIVSA-N 2 2 381.318 2.026 20 0 GEADLP COc1cc(C)c(Br)cc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926090649 654558764 /nfs/dbraw/zinc/55/87/64/654558764.db2.gz HCJZJZONKMGGRU-UHFFFAOYSA-N 2 2 385.306 2.311 20 0 GEADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2c(F)cc(F)cc2Br)CC1 ZINC000926095784 654559018 /nfs/dbraw/zinc/55/90/18/654559018.db2.gz JEUFJXAYYXHDSQ-UHFFFAOYSA-N 2 2 377.233 2.272 20 0 GEADLP Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926103201 654559236 /nfs/dbraw/zinc/55/92/36/654559236.db2.gz OQSFWTLJVXKIIL-UHFFFAOYSA-N 2 2 382.921 2.347 20 0 GEADLP O[C@H](C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1(O)CCCC1 ZINC000930447267 654710609 /nfs/dbraw/zinc/71/06/09/654710609.db2.gz XJVOMXOENSZHBQ-OAHLLOKOSA-N 2 2 398.301 2.407 20 0 GEADLP O[C@H](C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1(O)CCCC1 ZINC000930447267 654710612 /nfs/dbraw/zinc/71/06/12/654710612.db2.gz XJVOMXOENSZHBQ-OAHLLOKOSA-N 2 2 398.301 2.407 20 0 GEADLP C[N@@H+]1C[C@]2(C)C[NH+](C[C@H](O)COc3ccc(Br)cc3)C[C@]2(C)C1 ZINC000931305570 654737821 /nfs/dbraw/zinc/73/78/21/654737821.db2.gz ZOISXJWYRRYXHC-RYQLBKOJSA-N 2 2 383.330 2.462 20 0 GEADLP C[N@H+]1C[C@]2(C)C[NH+](C[C@H](O)COc3ccc(Br)cc3)C[C@]2(C)C1 ZINC000931305570 654737825 /nfs/dbraw/zinc/73/78/25/654737825.db2.gz ZOISXJWYRRYXHC-RYQLBKOJSA-N 2 2 383.330 2.462 20 0 GEADLP C[NH+]1C[C@]2(C)C[N@H+](C[C@H](O)COc3ccc(Br)cc3)C[C@]2(C)C1 ZINC000931305570 654737828 /nfs/dbraw/zinc/73/78/28/654737828.db2.gz ZOISXJWYRRYXHC-RYQLBKOJSA-N 2 2 383.330 2.462 20 0 GEADLP C[NH+]1C[C@]2(C)C[N@@H+](C[C@H](O)COc3ccc(Br)cc3)C[C@]2(C)C1 ZINC000931305570 654737832 /nfs/dbraw/zinc/73/78/32/654737832.db2.gz ZOISXJWYRRYXHC-RYQLBKOJSA-N 2 2 383.330 2.462 20 0 GEADLP Cc1ccc(Br)c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000932622077 654783923 /nfs/dbraw/zinc/78/39/23/654783923.db2.gz PNIYIMUNQRRFLZ-ZDUSSCGKSA-N 2 2 381.318 2.051 20 0 GEADLP Cc1ccc(Br)c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000932622077 654783925 /nfs/dbraw/zinc/78/39/25/654783925.db2.gz PNIYIMUNQRRFLZ-ZDUSSCGKSA-N 2 2 381.318 2.051 20 0 GEADLP CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)CC2 ZINC001164651005 719314302 /nfs/dbraw/zinc/31/43/02/719314302.db2.gz GSZHWPLIBYGZIE-UHFFFAOYSA-N 3 2 397.571 2.411 20 0 GEADLP CCCc1cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc(C)[nH+]1 ZINC001164717177 720189358 /nfs/dbraw/zinc/18/93/58/720189358.db2.gz UGVVHMQUDZMXLE-LJQANCHMSA-N 2 2 399.543 2.082 20 0 GEADLP Cc1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164752633 720808646 /nfs/dbraw/zinc/80/86/46/720808646.db2.gz ZJXYFANKWNUNEB-RCCFBDPRSA-N 2 2 392.511 2.237 20 0 GEADLP Cc1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164752633 720808648 /nfs/dbraw/zinc/80/86/48/720808648.db2.gz ZJXYFANKWNUNEB-RCCFBDPRSA-N 2 2 392.511 2.237 20 0 GEADLP C[NH+]1CCN(c2cccc(N3CC[C@H]4[C@@H]3CC(=O)N4c3ccsc3)[nH+]2)CC1 ZINC001164881293 721357095 /nfs/dbraw/zinc/35/70/95/721357095.db2.gz AZSYDDLEVGNPJB-IRXDYDNUSA-N 2 2 383.521 2.279 20 0 GEADLP Cc1cc2c(nc[nH+]c2N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)[nH]1 ZINC001164883692 721400144 /nfs/dbraw/zinc/40/01/44/721400144.db2.gz BWLYUHVLRRJNGF-UWJYYQICSA-N 2 2 384.528 2.032 20 0 GEADLP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4nc(N5CCCC5)cc[nH+]4)CC[C@H]3C2)c1 ZINC001164981380 722098877 /nfs/dbraw/zinc/09/88/77/722098877.db2.gz LFJQBKCDONXIPJ-VQTJNVASSA-N 2 2 394.523 2.199 20 0 GEADLP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4nc(N5CCCC5)cc[nH+]4)CC[C@H]3C2)c1 ZINC001164981380 722098878 /nfs/dbraw/zinc/09/88/78/722098878.db2.gz LFJQBKCDONXIPJ-VQTJNVASSA-N 2 2 394.523 2.199 20 0 GEADLP C[NH+](C)CCOCc1ncn2c1CN(c1cc(N3CCCCC3)[nH+]cn1)CCC2 ZINC001165004828 722256306 /nfs/dbraw/zinc/25/63/06/722256306.db2.gz VLNGUNIXBAPNBY-UHFFFAOYSA-N 2 2 399.543 2.152 20 0 GEADLP C[NH+](C)CCOCc1ncn2c1CN(c1cc(N3CCCCC3)nc[nH+]1)CCC2 ZINC001165004828 722256311 /nfs/dbraw/zinc/25/63/11/722256311.db2.gz VLNGUNIXBAPNBY-UHFFFAOYSA-N 2 2 399.543 2.152 20 0 GEADLP C[C@H](Oc1cccc(Br)c1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177145650 532162213 /nfs/dbraw/zinc/16/22/13/532162213.db2.gz QYJCGOXHOTUMOK-AWEZNQCLSA-N 2 2 398.345 2.359 20 0 GEADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCOc2cccc(Br)c2)CC1 ZINC000177144535 532163011 /nfs/dbraw/zinc/16/30/11/532163011.db2.gz WVUBQTSMDVCOQD-UHFFFAOYSA-N 2 2 398.345 2.360 20 0 GEADLP Cc1cc(Br)ccc1CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000182301536 532311588 /nfs/dbraw/zinc/31/15/88/532311588.db2.gz RPYYJGXGHSIQEJ-UHFFFAOYSA-N 2 2 382.346 2.442 20 0 GEADLP O[C@@H]1CCC[NH+](Cc2cc(Br)ccc2C[N@H+]2CCC[C@H](O)C2)C1 ZINC000192060381 532383154 /nfs/dbraw/zinc/38/31/54/532383154.db2.gz JHXYXUXJOGCSHU-ZWKOTPCHSA-N 2 2 383.330 2.363 20 0 GEADLP O[C@@H]1CCC[NH+](Cc2cc(Br)ccc2C[N@@H+]2CCC[C@H](O)C2)C1 ZINC000192060381 532383159 /nfs/dbraw/zinc/38/31/59/532383159.db2.gz JHXYXUXJOGCSHU-ZWKOTPCHSA-N 2 2 383.330 2.363 20 0 GEADLP O[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2C[NH+]2CCC[C@H](O)C2)C1 ZINC000192060381 532383169 /nfs/dbraw/zinc/38/31/69/532383169.db2.gz JHXYXUXJOGCSHU-ZWKOTPCHSA-N 2 2 383.330 2.363 20 0 GEADLP O[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2C[NH+]2CCC[C@H](O)C2)C1 ZINC000192060381 532383176 /nfs/dbraw/zinc/38/31/76/532383176.db2.gz JHXYXUXJOGCSHU-ZWKOTPCHSA-N 2 2 383.330 2.363 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3CCC[N@@H+](C)C3)[nH+]c12 ZINC000680555703 532417705 /nfs/dbraw/zinc/41/77/05/532417705.db2.gz WVVDLEUDPNKHHW-CYBMUJFWSA-N 2 2 380.290 2.299 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3CCC[N@H+](C)C3)[nH+]c12 ZINC000680555703 532417714 /nfs/dbraw/zinc/41/77/14/532417714.db2.gz WVVDLEUDPNKHHW-CYBMUJFWSA-N 2 2 380.290 2.299 20 0 GEADLP CC[C@@H](Cc1ccccc1Br)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000519590470 532471183 /nfs/dbraw/zinc/47/11/83/532471183.db2.gz JSILVCIHMPSFNE-LSDHHAIUSA-N 2 2 383.334 2.055 20 0 GEADLP CC[C@@H](Cc1ccccc1Br)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000519590470 532471190 /nfs/dbraw/zinc/47/11/90/532471190.db2.gz JSILVCIHMPSFNE-LSDHHAIUSA-N 2 2 383.334 2.055 20 0 GEADLP COCC[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000562811275 532485052 /nfs/dbraw/zinc/48/50/52/532485052.db2.gz HRQPKIBHYWZLSW-CJNGLKHVSA-N 2 2 389.327 2.355 20 0 GEADLP COCC[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000562811275 532485057 /nfs/dbraw/zinc/48/50/57/532485057.db2.gz HRQPKIBHYWZLSW-CJNGLKHVSA-N 2 2 389.327 2.355 20 0 GEADLP Cn1ncc(Br)c1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000520691183 532497442 /nfs/dbraw/zinc/49/74/42/532497442.db2.gz UVISDYNAQOMCPQ-OAHLLOKOSA-N 2 2 398.374 2.322 20 0 GEADLP CCc1nc(C[NH+]2CCC(CNC(=O)c3csc(C[NH3+])n3)CC2)cs1 ZINC000237044368 532502739 /nfs/dbraw/zinc/50/27/39/532502739.db2.gz XBIJIDWJWFORRK-UHFFFAOYSA-N 2 2 379.555 2.263 20 0 GEADLP CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653062584 532529417 /nfs/dbraw/zinc/52/94/17/532529417.db2.gz DGBVIOPGTJRBBW-ZDUSSCGKSA-N 2 2 375.300 2.059 20 0 GEADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000653087485 532530653 /nfs/dbraw/zinc/53/06/53/532530653.db2.gz YORPOSFLYDJYTE-HUUCEWRRSA-N 2 2 378.275 2.311 20 0 GEADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCc2cc(Br)ccc2F)C[C@H](C)O1 ZINC000564846197 532534617 /nfs/dbraw/zinc/53/46/17/532534617.db2.gz IJCGSLROQXFPNT-ZENOOKHLSA-N 2 2 389.309 2.190 20 0 GEADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCc2cc(Br)ccc2F)C[C@H](C)O1 ZINC000564846197 532534618 /nfs/dbraw/zinc/53/46/18/532534618.db2.gz IJCGSLROQXFPNT-ZENOOKHLSA-N 2 2 389.309 2.190 20 0 GEADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000472295248 532569765 /nfs/dbraw/zinc/56/97/65/532569765.db2.gz QVDSPMGWHKWBCI-OAHLLOKOSA-N 2 2 399.333 2.215 20 0 GEADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000472295248 532569767 /nfs/dbraw/zinc/56/97/67/532569767.db2.gz QVDSPMGWHKWBCI-OAHLLOKOSA-N 2 2 399.333 2.215 20 0 GEADLP Cc1nc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(Br)c(C)[nH+]1 ZINC000596158545 532589639 /nfs/dbraw/zinc/58/96/39/532589639.db2.gz YMXQBYYVKMANHU-OAHLLOKOSA-N 2 2 382.350 2.461 20 0 GEADLP COc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1Br ZINC000261684019 532576202 /nfs/dbraw/zinc/57/62/02/532576202.db2.gz ANHCLAALPNJBPR-AWEZNQCLSA-N 2 2 384.318 2.277 20 0 GEADLP COc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1Br ZINC000261684019 532576210 /nfs/dbraw/zinc/57/62/10/532576210.db2.gz ANHCLAALPNJBPR-AWEZNQCLSA-N 2 2 384.318 2.277 20 0 GEADLP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc(I)c1OC ZINC000435390717 532614671 /nfs/dbraw/zinc/61/46/71/532614671.db2.gz QAVFUOIVBRHKEB-JTQLQIEISA-N 2 2 376.238 2.089 20 0 GEADLP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc(I)c1OC ZINC000435390717 532614676 /nfs/dbraw/zinc/61/46/76/532614676.db2.gz QAVFUOIVBRHKEB-JTQLQIEISA-N 2 2 376.238 2.089 20 0 GEADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000284684928 532610233 /nfs/dbraw/zinc/61/02/33/532610233.db2.gz HNWJWJSSABWUGB-SUMWQHHRSA-N 2 2 395.345 2.437 20 0 GEADLP CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000377618001 532665400 /nfs/dbraw/zinc/66/54/00/532665400.db2.gz BNMUXQORXXCKDK-YJBOKZPZSA-N 2 2 385.599 2.410 20 0 GEADLP O=C(NCCC[NH+]1CCOCC1)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000377454559 532658701 /nfs/dbraw/zinc/65/87/01/532658701.db2.gz QHZUQKGRYDPVBR-UHFFFAOYSA-N 2 2 385.961 2.452 20 0 GEADLP C[NH+](C)C1CC[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000438851502 532678241 /nfs/dbraw/zinc/67/82/41/532678241.db2.gz YHQHPRAKTQWCCS-OAHLLOKOSA-N 2 2 375.282 2.354 20 0 GEADLP Cn1ncc(Br)c1C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390722644 532706596 /nfs/dbraw/zinc/70/65/96/532706596.db2.gz ZRDMBQWBSIFSLE-UHFFFAOYSA-N 2 2 392.345 2.090 20 0 GEADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cc3c(cc1Br)OCO3)CCO2 ZINC000646102020 532722406 /nfs/dbraw/zinc/72/24/06/532722406.db2.gz BSHJGUKQPSXJSU-UHFFFAOYSA-N 2 2 383.286 2.474 20 0 GEADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc3c(cc1Br)OCO3)CCO2 ZINC000646102020 532722409 /nfs/dbraw/zinc/72/24/09/532722409.db2.gz BSHJGUKQPSXJSU-UHFFFAOYSA-N 2 2 383.286 2.474 20 0 GEADLP C[N@@H+]1CC[C@H]2CCN(C(=O)NCc3cn4cc(Br)ccc4[nH+]3)[C@@H]2C1 ZINC000497388897 532722724 /nfs/dbraw/zinc/72/27/24/532722724.db2.gz OCXHLHPJTRWXLO-SWLSCSKDSA-N 2 2 392.301 2.332 20 0 GEADLP C[N@H+]1CC[C@H]2CCN(C(=O)NCc3cn4cc(Br)ccc4[nH+]3)[C@@H]2C1 ZINC000497388897 532722737 /nfs/dbraw/zinc/72/27/37/532722737.db2.gz OCXHLHPJTRWXLO-SWLSCSKDSA-N 2 2 392.301 2.332 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3CC34CC[NH2+]CC4)[nH+]c12 ZINC000612979527 532723741 /nfs/dbraw/zinc/72/37/41/532723741.db2.gz FSJPTJOEGAWUSQ-CQSZACIVSA-N 2 2 392.301 2.347 20 0 GEADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3cn4cc(Br)ccc4[nH+]3)[C@@H]2C1 ZINC000497388896 532723793 /nfs/dbraw/zinc/72/37/93/532723793.db2.gz OCXHLHPJTRWXLO-IUODEOHRSA-N 2 2 392.301 2.332 20 0 GEADLP C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3cn4cc(Br)ccc4[nH+]3)[C@@H]2C1 ZINC000497388896 532723797 /nfs/dbraw/zinc/72/37/97/532723797.db2.gz OCXHLHPJTRWXLO-IUODEOHRSA-N 2 2 392.301 2.332 20 0 GEADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000675782064 532741409 /nfs/dbraw/zinc/74/14/09/532741409.db2.gz MDCMKSYZXXAEJH-CQSZACIVSA-N 2 2 384.343 2.350 20 0 GEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000582601512 532760524 /nfs/dbraw/zinc/76/05/24/532760524.db2.gz NWWFJZCQLDYJOT-PJQXDXOGSA-N 2 2 387.293 2.400 20 0 GEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000582601512 532760525 /nfs/dbraw/zinc/76/05/25/532760525.db2.gz NWWFJZCQLDYJOT-PJQXDXOGSA-N 2 2 387.293 2.400 20 0 GEADLP CCNC(=O)C[NH+]1CCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000301323426 532748384 /nfs/dbraw/zinc/74/83/84/532748384.db2.gz VWUZPXNSZXEMFT-UHFFFAOYSA-N 2 2 377.286 2.255 20 0 GEADLP CNC(=O)C[NH+]1CCN(c2c(C)c(C)[nH+]c3ccc(Br)cc32)CC1 ZINC000301355447 532749966 /nfs/dbraw/zinc/74/99/66/532749966.db2.gz LXVHIKWXTDWYQY-UHFFFAOYSA-N 2 2 391.313 2.482 20 0 GEADLP CC(CC[NH+]1CC[S@](=O)[C@H](C)[C@@H]1C)CC[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000411288490 532753795 /nfs/dbraw/zinc/75/37/95/532753795.db2.gz DSXQRZDVQVGTML-NZEWSBGGSA-N 2 2 376.632 2.085 20 0 GEADLP CCn1cc[nH+]c1[C@@H](NC1C[NH2+]C1)c1ccc(I)cc1 ZINC000581364029 532753914 /nfs/dbraw/zinc/75/39/14/532753914.db2.gz JNLWFRRDCHSWAA-AWEZNQCLSA-N 2 2 382.249 2.158 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3CC[N@@H+](C4CC4)C3)[nH+]c12 ZINC000542767968 532779528 /nfs/dbraw/zinc/77/95/28/532779528.db2.gz GWPLGYDCHSBQNY-ZDUSSCGKSA-N 2 2 392.301 2.441 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3CC[N@H+](C4CC4)C3)[nH+]c12 ZINC000542767968 532779532 /nfs/dbraw/zinc/77/95/32/532779532.db2.gz GWPLGYDCHSBQNY-ZDUSSCGKSA-N 2 2 392.301 2.441 20 0 GEADLP CS(=O)(=O)N1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000329177771 532803799 /nfs/dbraw/zinc/80/37/99/532803799.db2.gz NFQZZKMSFOJPJI-QGZVFWFLSA-N 2 2 385.961 2.318 20 0 GEADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000414053058 532818087 /nfs/dbraw/zinc/81/80/87/532818087.db2.gz AHVDFGXPCPUBPV-CYBMUJFWSA-N 2 2 379.302 2.364 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@H](C)Cn3cc[nH+]c3)[nH+]c12 ZINC000273496309 532825220 /nfs/dbraw/zinc/82/52/20/532825220.db2.gz QSXYDZLLVXOHAR-GFCCVEGCSA-N 2 2 391.273 2.490 20 0 GEADLP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCO[C@@H](c3cccc(Br)c3)C2)C1 ZINC000414751602 532834941 /nfs/dbraw/zinc/83/49/41/532834941.db2.gz SSTHNFFPUPDNGB-WMLDXEAASA-N 2 2 396.329 2.020 20 0 GEADLP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCO[C@@H](c3cccc(Br)c3)C2)C1 ZINC000414751602 532834940 /nfs/dbraw/zinc/83/49/40/532834940.db2.gz SSTHNFFPUPDNGB-WMLDXEAASA-N 2 2 396.329 2.020 20 0 GEADLP COc1cc(C[NH2+]C[C@H]([NH3+])C2CC2)cc(I)c1OC ZINC000414893584 532835154 /nfs/dbraw/zinc/83/51/54/532835154.db2.gz RPZCGVFPCZVYIX-LBPRGKRZSA-N 2 2 376.238 2.135 20 0 GEADLP COc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1Br ZINC000415134272 532838370 /nfs/dbraw/zinc/83/83/70/532838370.db2.gz VWKFCVKVSMCFDF-CQSZACIVSA-N 2 2 380.290 2.345 20 0 GEADLP COc1ccc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1Br ZINC000415134272 532838373 /nfs/dbraw/zinc/83/83/73/532838373.db2.gz VWKFCVKVSMCFDF-CQSZACIVSA-N 2 2 380.290 2.345 20 0 GEADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000289013248 532844422 /nfs/dbraw/zinc/84/44/22/532844422.db2.gz AFMUIFMGFPOBSY-CYBMUJFWSA-N 2 2 392.301 2.471 20 0 GEADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000289013248 532844426 /nfs/dbraw/zinc/84/44/26/532844426.db2.gz AFMUIFMGFPOBSY-CYBMUJFWSA-N 2 2 392.301 2.471 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@H]([NH3+])[C@H](C)C3)[nH+]c12 ZINC000332281894 532851231 /nfs/dbraw/zinc/85/12/31/532851231.db2.gz IFDLFAZXAKAOSA-RISCZKNCSA-N 2 2 380.290 2.284 20 0 GEADLP CN(CCC[N@H+](C)CC(=O)Nc1ccccc1Br)CC[NH+](C)C ZINC000289595196 532860219 /nfs/dbraw/zinc/86/02/19/532860219.db2.gz ZVEWEKLPIJMQBO-UHFFFAOYSA-N 2 2 385.350 2.203 20 0 GEADLP CN(CCC[N@@H+](C)CC(=O)Nc1ccccc1Br)CC[NH+](C)C ZINC000289595196 532860221 /nfs/dbraw/zinc/86/02/21/532860221.db2.gz ZVEWEKLPIJMQBO-UHFFFAOYSA-N 2 2 385.350 2.203 20 0 GEADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(Cl)n(C)nc3C(F)(F)F)C2)CC1 ZINC000360682887 532890563 /nfs/dbraw/zinc/89/05/63/532890563.db2.gz WSERYFMXDKNWJC-GFCCVEGCSA-N 2 2 379.858 2.304 20 0 GEADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(Cl)n(C)nc3C(F)(F)F)C2)CC1 ZINC000360682887 532890566 /nfs/dbraw/zinc/89/05/66/532890566.db2.gz WSERYFMXDKNWJC-GFCCVEGCSA-N 2 2 379.858 2.304 20 0 GEADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000423084433 532893675 /nfs/dbraw/zinc/89/36/75/532893675.db2.gz HYUUGVWUBNEOMN-CJNGLKHVSA-N 2 2 379.302 2.491 20 0 GEADLP Cc1cc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)ccc1I ZINC000423098269 532894014 /nfs/dbraw/zinc/89/40/14/532894014.db2.gz RXSCYJREZFFDAO-HOTGVXAUSA-N 2 2 386.277 2.456 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3c(F)cccc3Br)C2)CC1 ZINC000365908707 532913103 /nfs/dbraw/zinc/91/31/03/532913103.db2.gz PZJWSAARBWISFQ-GFCCVEGCSA-N 2 2 384.293 2.487 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3c(F)cccc3Br)C2)CC1 ZINC000365908707 532913104 /nfs/dbraw/zinc/91/31/04/532913104.db2.gz PZJWSAARBWISFQ-GFCCVEGCSA-N 2 2 384.293 2.487 20 0 GEADLP CCC[NH+]1CCC([NH+]2CCN(Cc3c(Br)c(C)nn3C)CC2)CC1 ZINC000365964194 532913342 /nfs/dbraw/zinc/91/33/42/532913342.db2.gz GSQHFXUCYIATAV-UHFFFAOYSA-N 2 2 398.393 2.483 20 0 GEADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]C[C@H](O)COCC(F)(F)F)[C@@H](C)C2)s1 ZINC000366590399 532919055 /nfs/dbraw/zinc/91/90/55/532919055.db2.gz ICVVEFNKSJRYNN-WHOFXGATSA-N 2 2 381.464 2.191 20 0 GEADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]C[C@H](O)COCC(F)(F)F)[C@@H](C)C2)s1 ZINC000366590399 532919056 /nfs/dbraw/zinc/91/90/56/532919056.db2.gz ICVVEFNKSJRYNN-WHOFXGATSA-N 2 2 381.464 2.191 20 0 GEADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H](O)COCC(F)(F)F)[C@H](C)C2)s1 ZINC000366590397 532918996 /nfs/dbraw/zinc/91/89/96/532918996.db2.gz ICVVEFNKSJRYNN-KYOSRNDESA-N 2 2 381.464 2.191 20 0 GEADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]C[C@@H](O)COCC(F)(F)F)[C@H](C)C2)s1 ZINC000366590397 532918997 /nfs/dbraw/zinc/91/89/97/532918997.db2.gz ICVVEFNKSJRYNN-KYOSRNDESA-N 2 2 381.464 2.191 20 0 GEADLP C[C@@H]1C[N@H+](C[C@@H](O)c2cccc(Br)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000367031945 532922404 /nfs/dbraw/zinc/92/24/04/532922404.db2.gz XUYKMWOVTKPKRT-ATZDWAIDSA-N 2 2 396.373 2.440 20 0 GEADLP C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc(Br)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000367031945 532922405 /nfs/dbraw/zinc/92/24/05/532922405.db2.gz XUYKMWOVTKPKRT-ATZDWAIDSA-N 2 2 396.373 2.440 20 0 GEADLP O[C@@H]1CCC[C@@H]1[NH+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)CC1 ZINC000367460684 532925002 /nfs/dbraw/zinc/92/50/02/532925002.db2.gz HAOCQUFXZXPAAL-JKSUJKDBSA-N 2 2 379.302 2.128 20 0 GEADLP COc1cc(Br)ccc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369275846 532937797 /nfs/dbraw/zinc/93/77/97/532937797.db2.gz ZESAQXFLJKYRCQ-CQSZACIVSA-N 2 2 396.329 2.356 20 0 GEADLP COc1cc(Br)ccc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369275846 532937798 /nfs/dbraw/zinc/93/77/98/532937798.db2.gz ZESAQXFLJKYRCQ-CQSZACIVSA-N 2 2 396.329 2.356 20 0 GEADLP CC(C)[N@@H+]1CCc2nc(C[NH+](CCO)CCOCC(F)(F)F)sc2C1 ZINC000369964244 532941538 /nfs/dbraw/zinc/94/15/38/532941538.db2.gz STUURQRLVOZPEF-UHFFFAOYSA-N 2 2 381.464 2.283 20 0 GEADLP CC(C)[N@H+]1CCc2nc(C[NH+](CCO)CCOCC(F)(F)F)sc2C1 ZINC000369964244 532941539 /nfs/dbraw/zinc/94/15/39/532941539.db2.gz STUURQRLVOZPEF-UHFFFAOYSA-N 2 2 381.464 2.283 20 0 GEADLP CC(C)[NH+]1CCc2nc(C[N@H+](CCO)CCOCC(F)(F)F)sc2C1 ZINC000369964244 532941540 /nfs/dbraw/zinc/94/15/40/532941540.db2.gz STUURQRLVOZPEF-UHFFFAOYSA-N 2 2 381.464 2.283 20 0 GEADLP CC(C)[NH+]1CCc2nc(C[N@@H+](CCO)CCOCC(F)(F)F)sc2C1 ZINC000369964244 532941541 /nfs/dbraw/zinc/94/15/41/532941541.db2.gz STUURQRLVOZPEF-UHFFFAOYSA-N 2 2 381.464 2.283 20 0 GEADLP CCc1cc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)nc(C)[nH+]1 ZINC000736674648 599120690 /nfs/dbraw/zinc/12/06/90/599120690.db2.gz FGOAUPIWVXPTGG-UHFFFAOYSA-N 2 2 378.484 2.240 20 0 GEADLP CCc1cc(N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)nc(C)[nH+]1 ZINC000736674648 599120693 /nfs/dbraw/zinc/12/06/93/599120693.db2.gz FGOAUPIWVXPTGG-UHFFFAOYSA-N 2 2 378.484 2.240 20 0 GEADLP Cc1cccc2c(NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737410395 599122953 /nfs/dbraw/zinc/12/29/53/599122953.db2.gz SMLAMODONNCDQV-GASCZTMLSA-N 2 2 381.484 2.056 20 0 GEADLP Cc1cccc2c(NCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737410395 599122954 /nfs/dbraw/zinc/12/29/54/599122954.db2.gz SMLAMODONNCDQV-GASCZTMLSA-N 2 2 381.484 2.056 20 0 GEADLP Cc1cccc(C[NH+]2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)n1 ZINC000737393382 599445900 /nfs/dbraw/zinc/44/59/00/599445900.db2.gz INKZTMOVBAJHTA-UHFFFAOYSA-N 2 2 386.463 2.441 20 0 GEADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000822332370 599534842 /nfs/dbraw/zinc/53/48/42/599534842.db2.gz OWXVLIPHKFFQOQ-OAHLLOKOSA-N 2 2 395.511 2.252 20 0 GEADLP C[C@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C[C@H]1[NH+](C)C ZINC000820767081 606803643 /nfs/dbraw/zinc/80/36/43/606803643.db2.gz FWFCRTUZDJHWGH-ZUZCIYMTSA-N 2 2 389.410 2.403 20 0 GEADLP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)nc[nH+]1 ZINC000826090992 609341614 /nfs/dbraw/zinc/34/16/14/609341614.db2.gz UGEOKWHKNOKTET-OCCSQVGLSA-N 2 2 397.462 2.157 20 0 GEADLP Cn1cc(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361299 609341655 /nfs/dbraw/zinc/34/16/55/609341655.db2.gz SAUXBRFOGLWFGR-MRXNPFEDSA-N 2 2 389.467 2.131 20 0 GEADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000826513609 609368161 /nfs/dbraw/zinc/36/81/61/609368161.db2.gz QHEVUSBMTBNAKA-AQNXPRMDSA-N 2 2 394.523 2.378 20 0 GEADLP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)C(C)(C)C ZINC000825860803 609407870 /nfs/dbraw/zinc/40/78/70/609407870.db2.gz XEAVKULCUDJVCE-ZWKOTPCHSA-N 2 2 399.543 2.318 20 0 GEADLP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480257160 650618538 /nfs/dbraw/zinc/61/85/38/650618538.db2.gz QJDJNYHFGJWWDV-CQSZACIVSA-N 2 2 384.299 2.462 20 0 GEADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000530213029 650718324 /nfs/dbraw/zinc/71/83/24/650718324.db2.gz UDSWGELTVZBZQP-NSHDSACASA-N 2 2 376.245 2.014 20 0 GEADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2F)C1 ZINC000530213029 650718326 /nfs/dbraw/zinc/71/83/26/650718326.db2.gz UDSWGELTVZBZQP-NSHDSACASA-N 2 2 376.245 2.014 20 0 GEADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(=O)n4cc(Br)ccc4n3)CC[C@@H]21 ZINC000532649689 650751656 /nfs/dbraw/zinc/75/16/56/650751656.db2.gz CCBKBFDDFUJFND-CJNGLKHVSA-N 2 2 391.313 2.373 20 0 GEADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(=O)n4cc(Br)ccc4n3)CC[C@@H]21 ZINC000532649689 650751660 /nfs/dbraw/zinc/75/16/60/650751660.db2.gz CCBKBFDDFUJFND-CJNGLKHVSA-N 2 2 391.313 2.373 20 0 GEADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(=O)n4cc(Br)ccc4n3)CC[C@@H]21 ZINC000532649689 650751661 /nfs/dbraw/zinc/75/16/61/650751661.db2.gz CCBKBFDDFUJFND-CJNGLKHVSA-N 2 2 391.313 2.373 20 0 GEADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(=O)n4cc(Br)ccc4n3)CC[C@@H]21 ZINC000532649689 650751664 /nfs/dbraw/zinc/75/16/64/650751664.db2.gz CCBKBFDDFUJFND-CJNGLKHVSA-N 2 2 391.313 2.373 20 0 GEADLP CS[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C[C@H]1[NH+](C)C ZINC000534826473 650780937 /nfs/dbraw/zinc/78/09/37/650780937.db2.gz QATCUFIGRIZYET-KZNAEPCWSA-N 2 2 379.595 2.281 20 0 GEADLP Brc1ccc(-n2cc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)cn2)cc1 ZINC000491314385 650785202 /nfs/dbraw/zinc/78/52/02/650785202.db2.gz CWZWVKGUSXSMBS-GOSISDBHSA-N 2 2 390.329 2.114 20 0 GEADLP C[N@H+](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1)[C@@H]1CCSC1 ZINC000128405405 643801770 /nfs/dbraw/zinc/80/17/70/643801770.db2.gz VLAWVOPAWNUSHS-OAHLLOKOSA-N 2 2 382.961 2.468 20 0 GEADLP C[N@@H+](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1)[C@@H]1CCSC1 ZINC000128405405 643801772 /nfs/dbraw/zinc/80/17/72/643801772.db2.gz VLAWVOPAWNUSHS-OAHLLOKOSA-N 2 2 382.961 2.468 20 0 GEADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000172807123 644345032 /nfs/dbraw/zinc/34/50/32/644345032.db2.gz HYYZTGFZEPNURA-ZDUSSCGKSA-N 2 2 384.318 2.477 20 0 GEADLP C[C@@H](C(=O)Nc1cccc(I)c1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261621413 645590784 /nfs/dbraw/zinc/59/07/84/645590784.db2.gz DKUACRXQOVZMMS-XHDPSFHLSA-N 2 2 387.265 2.289 20 0 GEADLP C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261621413 645590794 /nfs/dbraw/zinc/59/07/94/645590794.db2.gz DKUACRXQOVZMMS-XHDPSFHLSA-N 2 2 387.265 2.289 20 0 GEADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCS(=O)(=O)c3ccc(Br)cc3)C[C@H]21 ZINC000262128230 645619162 /nfs/dbraw/zinc/61/91/62/645619162.db2.gz LHZQMCINZNNRGE-APHBMKBZSA-N 2 2 387.343 2.282 20 0 GEADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCS(=O)(=O)c3ccc(Br)cc3)C[C@H]21 ZINC000262128230 645619169 /nfs/dbraw/zinc/61/91/69/645619169.db2.gz LHZQMCINZNNRGE-APHBMKBZSA-N 2 2 387.343 2.282 20 0 GEADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCS(=O)(=O)c3ccc(Br)cc3)C[C@H]21 ZINC000262128247 645619185 /nfs/dbraw/zinc/61/91/85/645619185.db2.gz LHZQMCINZNNRGE-DAXOMENPSA-N 2 2 387.343 2.282 20 0 GEADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCS(=O)(=O)c3ccc(Br)cc3)C[C@H]21 ZINC000262128247 645619187 /nfs/dbraw/zinc/61/91/87/645619187.db2.gz LHZQMCINZNNRGE-DAXOMENPSA-N 2 2 387.343 2.282 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccnc(Br)c3)CC2)CC1 ZINC000268156820 645949225 /nfs/dbraw/zinc/94/92/25/645949225.db2.gz CBCYFKFPEOECGV-UHFFFAOYSA-N 2 2 381.318 2.133 20 0 GEADLP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@@H]1CSC[NH2+]1 ZINC000269275773 646024362 /nfs/dbraw/zinc/02/43/62/646024362.db2.gz WRUZVUHXDIIGQD-HNNXBMFYSA-N 2 2 384.343 2.192 20 0 GEADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280449897 646683242 /nfs/dbraw/zinc/68/32/42/646683242.db2.gz CQLNXQDLAWQVFG-NSHDSACASA-N 2 2 387.303 2.034 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@@H](C)[NH2+]C[C@H]3C)[nH+]c12 ZINC000417995344 648268243 /nfs/dbraw/zinc/26/82/43/648268243.db2.gz ATUZLEPAHBQNJX-CHWSQXEVSA-N 2 2 394.317 2.340 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CC[NH2+][C@H](C)C3)[nH+]c12 ZINC000418016701 648270361 /nfs/dbraw/zinc/27/03/61/648270361.db2.gz GDODNPAGKVSRMX-OCCSQVGLSA-N 2 2 394.317 2.387 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@H]([C@H](C)[NH3+])C3)[nH+]c12 ZINC000418020867 648271453 /nfs/dbraw/zinc/27/14/53/648271453.db2.gz OHSBYDVLVPOBNW-STQMWFEESA-N 2 2 394.317 2.326 20 0 GEADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(I)cc2)C[C@@H]1C[NH3+] ZINC000420381759 648415240 /nfs/dbraw/zinc/41/52/40/648415240.db2.gz PBQSCSQOBFDGSC-RYUDHWBXSA-N 2 2 387.265 2.146 20 0 GEADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(I)cc2)C[C@@H]1C[NH3+] ZINC000420381759 648415258 /nfs/dbraw/zinc/41/52/58/648415258.db2.gz PBQSCSQOBFDGSC-RYUDHWBXSA-N 2 2 387.265 2.146 20 0 GEADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000423154848 648584978 /nfs/dbraw/zinc/58/49/78/648584978.db2.gz KDKHQUGLTKWETJ-WWGRRREGSA-N 2 2 389.309 2.096 20 0 GEADLP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1c(Br)cncc1Br ZINC000423155071 648585052 /nfs/dbraw/zinc/58/50/52/648585052.db2.gz ISZKUZWWZLCIEE-FWDPORAESA-N 2 2 393.123 2.449 20 0 GEADLP Cc1ccc(C[C@H](CO)C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1Br ZINC000423164494 648585707 /nfs/dbraw/zinc/58/57/07/648585707.db2.gz SRIMGOBEUCOHFC-SNRMKQJTSA-N 2 2 397.357 2.265 20 0 GEADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2c3cc(Br)ccc3CC2(C)C)CC1 ZINC000429272146 648748931 /nfs/dbraw/zinc/74/89/31/648748931.db2.gz CHQUEYDMCJGHMM-QGZVFWFLSA-N 2 2 380.330 2.436 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)NCC3CC[NH2+]CC3)[nH+]c12 ZINC000557181432 651265881 /nfs/dbraw/zinc/26/58/81/651265881.db2.gz QLEJHBBVXJFDEH-UHFFFAOYSA-N 2 2 394.317 2.247 20 0 GEADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)C[C@@H]3COCC[NH2+]3)nc12 ZINC000643480758 651488610 /nfs/dbraw/zinc/48/86/10/651488610.db2.gz BKMBAWGGIOKDOL-CZUORRHYSA-N 2 2 381.318 2.304 20 0 GEADLP O[C@@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)COc1cc(F)cc(Br)c1 ZINC000563705164 651538738 /nfs/dbraw/zinc/53/87/38/651538738.db2.gz DRBOADAWWHSZCL-OLZOCXBDSA-N 2 2 384.249 2.198 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc(F)c3Br)C2)CC1 ZINC000645407565 651602258 /nfs/dbraw/zinc/60/22/58/651602258.db2.gz FKBKHEPUCVGAAC-LBPRGKRZSA-N 2 2 384.293 2.487 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccc(F)c3Br)C2)CC1 ZINC000645407565 651602262 /nfs/dbraw/zinc/60/22/62/651602262.db2.gz FKBKHEPUCVGAAC-LBPRGKRZSA-N 2 2 384.293 2.487 20 0 GEADLP COc1cc(Br)c(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1O ZINC000569243223 651704485 /nfs/dbraw/zinc/70/44/85/651704485.db2.gz GDGSTUQSBJUSPB-ZDUSSCGKSA-N 2 2 385.302 2.351 20 0 GEADLP COc1cc(Br)c(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1O ZINC000569243223 651704492 /nfs/dbraw/zinc/70/44/92/651704492.db2.gz GDGSTUQSBJUSPB-ZDUSSCGKSA-N 2 2 385.302 2.351 20 0 GEADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1coc(-c2ccc(Br)cc2)n1 ZINC000647835849 651762671 /nfs/dbraw/zinc/76/26/71/651762671.db2.gz RKGCKZLVEZDLRJ-UHFFFAOYSA-N 2 2 379.302 2.441 20 0 GEADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1coc(-c2ccc(Br)cc2)n1 ZINC000647835849 651762676 /nfs/dbraw/zinc/76/26/76/651762676.db2.gz RKGCKZLVEZDLRJ-UHFFFAOYSA-N 2 2 379.302 2.441 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000617763703 651970939 /nfs/dbraw/zinc/97/09/39/651970939.db2.gz XWDRSAKIPFVSLM-OAHLLOKOSA-N 2 2 398.345 2.315 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000617763703 651970945 /nfs/dbraw/zinc/97/09/45/651970945.db2.gz XWDRSAKIPFVSLM-OAHLLOKOSA-N 2 2 398.345 2.315 20 0 GEADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000655719796 652008540 /nfs/dbraw/zinc/00/85/40/652008540.db2.gz MOOLHXODHLCDGX-SFHVURJKSA-N 2 2 393.329 2.490 20 0 GEADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000655751732 652009970 /nfs/dbraw/zinc/00/99/70/652009970.db2.gz DQQRYPKVBRAIHR-KRWDZBQOSA-N 2 2 381.318 2.345 20 0 GEADLP CS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1Cl ZINC000655759042 652010684 /nfs/dbraw/zinc/01/06/84/652010684.db2.gz INUDWQJDAHCITE-MRXNPFEDSA-N 2 2 386.945 2.477 20 0 GEADLP [NH3+]C[C@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)C1CCCCC1 ZINC000574863746 652047987 /nfs/dbraw/zinc/04/79/87/652047987.db2.gz ODPZAHAAOBFWCO-HNNXBMFYSA-N 2 2 379.302 2.454 20 0 GEADLP C[NH+]1CCC(CCO)([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000575195784 652068172 /nfs/dbraw/zinc/06/81/72/652068172.db2.gz VJHXTIZKHRFCTG-UHFFFAOYSA-N 2 2 385.302 2.157 20 0 GEADLP CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000657858316 652211480 /nfs/dbraw/zinc/21/14/80/652211480.db2.gz ZHJGPEUGDWSPAQ-KRWDZBQOSA-N 2 2 382.346 2.380 20 0 GEADLP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000623878499 652265489 /nfs/dbraw/zinc/26/54/89/652265489.db2.gz JSYRGFCHPTXBHZ-LLVKDONJSA-N 2 2 378.826 2.048 20 0 GEADLP Cc1cc(Cl)c(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1Cl ZINC000658429196 652271054 /nfs/dbraw/zinc/27/10/54/652271054.db2.gz UDWUNVVNPLVSNU-UHFFFAOYSA-N 2 2 389.327 2.240 20 0 GEADLP Cc1cc(Cl)c(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1Cl ZINC000658429196 652271061 /nfs/dbraw/zinc/27/10/61/652271061.db2.gz UDWUNVVNPLVSNU-UHFFFAOYSA-N 2 2 389.327 2.240 20 0 GEADLP C[NH2+]C[C@@H](C)NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000659634840 652361952 /nfs/dbraw/zinc/36/19/52/652361952.db2.gz NBCKHLHVZSSEDE-GFCCVEGCSA-N 2 2 384.278 2.058 20 0 GEADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC000581315786 652410652 /nfs/dbraw/zinc/41/06/52/652410652.db2.gz RVXWVGFJKIARDZ-JTQLQIEISA-N 2 2 376.245 2.014 20 0 GEADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC000581315786 652410654 /nfs/dbraw/zinc/41/06/54/652410654.db2.gz RVXWVGFJKIARDZ-JTQLQIEISA-N 2 2 376.245 2.014 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CC[C@H](C)[NH2+]C3)[nH+]c12 ZINC000627012751 652412027 /nfs/dbraw/zinc/41/20/27/652412027.db2.gz DWKFTNZDTGTXRU-GXTWGEPZSA-N 2 2 394.317 2.387 20 0 GEADLP O[C@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662162109 652450065 /nfs/dbraw/zinc/45/00/65/652450065.db2.gz ZWVCUEZZDDJZLY-HOTGVXAUSA-N 2 2 389.323 2.264 20 0 GEADLP O[C@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662162109 652450069 /nfs/dbraw/zinc/45/00/69/652450069.db2.gz ZWVCUEZZDDJZLY-HOTGVXAUSA-N 2 2 389.323 2.264 20 0 GEADLP O=C(Nc1ccc(Br)cc1)C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662258911 652454865 /nfs/dbraw/zinc/45/48/65/652454865.db2.gz YDYCBHIGVHMNBG-MRXNPFEDSA-N 2 2 382.302 2.088 20 0 GEADLP Cc1nc(NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c(Br)c(C)[nH+]1 ZINC000663521757 652502583 /nfs/dbraw/zinc/50/25/83/652502583.db2.gz OGEDTLPLQQBBAA-ZDUSSCGKSA-N 2 2 384.322 2.211 20 0 GEADLP Cc1nc(NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c(Br)c(C)[nH+]1 ZINC000663521757 652502585 /nfs/dbraw/zinc/50/25/85/652502585.db2.gz OGEDTLPLQQBBAA-ZDUSSCGKSA-N 2 2 384.322 2.211 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCc1ccc(Br)s1 ZINC000663544733 652503619 /nfs/dbraw/zinc/50/36/19/652503619.db2.gz QFBHSPPAXXOFJU-UHFFFAOYSA-N 2 2 391.379 2.236 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCc1ccc(Br)s1 ZINC000663544733 652503625 /nfs/dbraw/zinc/50/36/25/652503625.db2.gz QFBHSPPAXXOFJU-UHFFFAOYSA-N 2 2 391.379 2.236 20 0 GEADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C[C@](C)(O)C[NH2+]C)CC1 ZINC000584474643 652522389 /nfs/dbraw/zinc/52/23/89/652522389.db2.gz BPBWCLDCFQWYSH-ZWKOTPCHSA-N 2 2 384.362 2.488 20 0 GEADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888253 652538133 /nfs/dbraw/zinc/53/81/33/652538133.db2.gz XQQSYOPCKLYVCI-WMLDXEAASA-N 2 2 380.330 2.481 20 0 GEADLP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888253 652538137 /nfs/dbraw/zinc/53/81/37/652538137.db2.gz XQQSYOPCKLYVCI-WMLDXEAASA-N 2 2 380.330 2.481 20 0 GEADLP Cc1csc([C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C(F)(F)F)n1 ZINC000667160417 652594781 /nfs/dbraw/zinc/59/47/81/652594781.db2.gz XUMWRKIAWIWRFW-GFCCVEGCSA-N 2 2 381.468 2.238 20 0 GEADLP Cc1csc([C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C(F)(F)F)n1 ZINC000667160417 652594784 /nfs/dbraw/zinc/59/47/84/652594784.db2.gz XUMWRKIAWIWRFW-GFCCVEGCSA-N 2 2 381.468 2.238 20 0 GEADLP C[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000634727488 652660214 /nfs/dbraw/zinc/66/02/14/652660214.db2.gz WUPRHUHALJTHFN-VXGBXAGGSA-N 2 2 386.327 2.129 20 0 GEADLP C[N@H+](CC1CC[NH+](C)CC1)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000766070104 652865110 /nfs/dbraw/zinc/86/51/10/652865110.db2.gz QFJOGFNMUPHIIQ-UHFFFAOYSA-N 2 2 380.286 2.276 20 0 GEADLP C[N@@H+](CC1CC[NH+](C)CC1)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000766070104 652865113 /nfs/dbraw/zinc/86/51/13/652865113.db2.gz QFJOGFNMUPHIIQ-UHFFFAOYSA-N 2 2 380.286 2.276 20 0 GEADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000639360604 652934418 /nfs/dbraw/zinc/93/44/18/652934418.db2.gz YUZFUUOUEWDEKH-GDBMZVCRSA-N 2 2 379.551 2.253 20 0 GEADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000639360604 652934423 /nfs/dbraw/zinc/93/44/23/652934423.db2.gz YUZFUUOUEWDEKH-GDBMZVCRSA-N 2 2 379.551 2.253 20 0 GEADLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000639764601 652952684 /nfs/dbraw/zinc/95/26/84/652952684.db2.gz HLWVBEQAPDQVDL-RHSMWYFYSA-N 2 2 377.312 2.122 20 0 GEADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000639764601 652952687 /nfs/dbraw/zinc/95/26/87/652952687.db2.gz HLWVBEQAPDQVDL-RHSMWYFYSA-N 2 2 377.312 2.122 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc(Br)c3F)C2)CC1 ZINC000683243765 653232304 /nfs/dbraw/zinc/23/23/04/653232304.db2.gz IFYMPKGEQNUOPP-GFCCVEGCSA-N 2 2 384.293 2.487 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc(Br)c3F)C2)CC1 ZINC000683243765 653232306 /nfs/dbraw/zinc/23/23/06/653232306.db2.gz IFYMPKGEQNUOPP-GFCCVEGCSA-N 2 2 384.293 2.487 20 0 GEADLP CN(C(=O)NCC[C@H]1CC1(Cl)Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000856946118 653259134 /nfs/dbraw/zinc/25/91/34/653259134.db2.gz FACYZXBXTVBFJH-ZFWWWQNUSA-N 2 2 377.360 2.380 20 0 GEADLP CN(C(=O)NCC[C@H]1CC1(Cl)Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000856946118 653259139 /nfs/dbraw/zinc/25/91/39/653259139.db2.gz FACYZXBXTVBFJH-ZFWWWQNUSA-N 2 2 377.360 2.380 20 0 GEADLP C[NH+]1CCN(C2CC[NH+](C[C@@H](O)c3ccccc3Br)CC2)CC1 ZINC000879593371 653673790 /nfs/dbraw/zinc/67/37/90/653673790.db2.gz FZYFVCVRHOSQNF-GOSISDBHSA-N 2 2 382.346 2.194 20 0 GEADLP C[C@](O)(C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Br)cc1F ZINC000818986265 653740028 /nfs/dbraw/zinc/74/00/28/653740028.db2.gz JSUDZEBGDKUHBY-VBQJREDUSA-N 2 2 387.293 2.249 20 0 GEADLP C[C@](O)(C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(Br)cc1F ZINC000818986265 653740031 /nfs/dbraw/zinc/74/00/31/653740031.db2.gz JSUDZEBGDKUHBY-VBQJREDUSA-N 2 2 387.293 2.249 20 0 GEADLP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCS(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000842478819 653757837 /nfs/dbraw/zinc/75/78/37/653757837.db2.gz KUOVZWFMSSFFMV-WMZOPIPTSA-N 2 2 386.945 2.332 20 0 GEADLP COc1cc2[nH+]ccc(N3CCC[N@H+](CC(N)=O)CC3)c2cc1Br ZINC000819910323 653762187 /nfs/dbraw/zinc/76/21/87/653762187.db2.gz JOAQFTAFLKSXFA-UHFFFAOYSA-N 2 2 393.285 2.003 20 0 GEADLP COc1cc2[nH+]ccc(N3CCC[N@@H+](CC(N)=O)CC3)c2cc1Br ZINC000819910323 653762188 /nfs/dbraw/zinc/76/21/88/653762188.db2.gz JOAQFTAFLKSXFA-UHFFFAOYSA-N 2 2 393.285 2.003 20 0 GEADLP COc1ncc(Br)cc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000865495152 653766794 /nfs/dbraw/zinc/76/67/94/653766794.db2.gz JSKDPVOPPVCRQA-CVEARBPZSA-N 2 2 384.318 2.320 20 0 GEADLP Cn1ncc(I)c1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000866629748 653806963 /nfs/dbraw/zinc/80/69/63/653806963.db2.gz LKEVQUAKDFTCRE-UHFFFAOYSA-N 2 2 397.264 2.178 20 0 GEADLP CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895294353 653826747 /nfs/dbraw/zinc/82/67/47/653826747.db2.gz UPPOSHJFJHLVBW-CHWSQXEVSA-N 2 2 386.334 2.392 20 0 GEADLP [NH3+][C@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc(Br)cc1 ZINC000884192679 653867616 /nfs/dbraw/zinc/86/76/16/653867616.db2.gz LIQAVLFKIZXZCN-INIZCTEOSA-N 2 2 377.286 2.341 20 0 GEADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884319302 653871962 /nfs/dbraw/zinc/87/19/62/653871962.db2.gz RRMWJXUPRBKFET-INIZCTEOSA-N 2 2 398.345 2.266 20 0 GEADLP [NH2+]=C(NOCc1cc(Br)no1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000793842804 653886433 /nfs/dbraw/zinc/88/64/33/653886433.db2.gz IUSLIZHOMKFCFJ-AWEZNQCLSA-N 2 2 395.257 2.337 20 0 GEADLP [NH2+]=C(NOCc1cc(Br)no1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000793842804 653886438 /nfs/dbraw/zinc/88/64/38/653886438.db2.gz IUSLIZHOMKFCFJ-AWEZNQCLSA-N 2 2 395.257 2.337 20 0 GEADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000846226967 653891740 /nfs/dbraw/zinc/89/17/40/653891740.db2.gz FMLAWLMMBROLMC-NXHRZFHOSA-N 2 2 386.945 2.475 20 0 GEADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000846226967 653891743 /nfs/dbraw/zinc/89/17/43/653891743.db2.gz FMLAWLMMBROLMC-NXHRZFHOSA-N 2 2 386.945 2.475 20 0 GEADLP CN(C(=O)c1cnc(F)c(Br)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000847486161 653930787 /nfs/dbraw/zinc/93/07/87/653930787.db2.gz XUVKFSJJNJQFAD-AWEZNQCLSA-N 2 2 399.308 2.224 20 0 GEADLP CN(C(=O)c1cnc(F)c(Br)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000847486161 653930791 /nfs/dbraw/zinc/93/07/91/653930791.db2.gz XUVKFSJJNJQFAD-AWEZNQCLSA-N 2 2 399.308 2.224 20 0 GEADLP C[N@H+](CC(F)F)C1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000847532772 653932768 /nfs/dbraw/zinc/93/27/68/653932768.db2.gz RPNXBAARGUISIP-INIZCTEOSA-N 2 2 375.529 2.392 20 0 GEADLP C[N@@H+](CC(F)F)C1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000847532772 653932773 /nfs/dbraw/zinc/93/27/73/653932773.db2.gz RPNXBAARGUISIP-INIZCTEOSA-N 2 2 375.529 2.392 20 0 GEADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ncc(Br)cc1Cl)C2 ZINC000903493867 654241594 /nfs/dbraw/zinc/24/15/94/654241594.db2.gz YIGFFDPRLCDOAY-ISOBSLSZSA-N 2 2 388.693 2.210 20 0 GEADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ncc(Br)cc1Cl)C2 ZINC000903493867 654241597 /nfs/dbraw/zinc/24/15/97/654241597.db2.gz YIGFFDPRLCDOAY-ISOBSLSZSA-N 2 2 388.693 2.210 20 0 GEADLP C[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@H](CO)c1cccc(Br)c1 ZINC000903897666 654290580 /nfs/dbraw/zinc/29/05/80/654290580.db2.gz IGPXBCFVOZIQDT-DOTOQJQBSA-N 2 2 394.317 2.131 20 0 GEADLP C[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@H](CO)c1cccc(Br)c1 ZINC000903897666 654290584 /nfs/dbraw/zinc/29/05/84/654290584.db2.gz IGPXBCFVOZIQDT-DOTOQJQBSA-N 2 2 394.317 2.131 20 0 GEADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccnn2Cc2ccc(Cl)s2)CC1 ZINC000904547050 654313562 /nfs/dbraw/zinc/31/35/62/654313562.db2.gz AECLHUZCFUNDDT-UHFFFAOYSA-N 2 2 382.921 2.191 20 0 GEADLP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2nc(Br)c[nH]2)CC1 ZINC000921817176 654326981 /nfs/dbraw/zinc/32/69/81/654326981.db2.gz IZLLBSOIRRUOLU-UHFFFAOYSA-N 2 2 379.302 2.419 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CC[N@H+](C)[C@H]3C)[nH+]c12 ZINC000921938804 654345154 /nfs/dbraw/zinc/34/51/54/654345154.db2.gz JTIKKXXUWQTXHP-WFASDCNBSA-N 2 2 394.317 2.340 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CC[N@@H+](C)[C@H]3C)[nH+]c12 ZINC000921938804 654345157 /nfs/dbraw/zinc/34/51/57/654345157.db2.gz JTIKKXXUWQTXHP-WFASDCNBSA-N 2 2 394.317 2.340 20 0 GEADLP Cc1[nH]nc(Br)c1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000933626826 654818085 /nfs/dbraw/zinc/81/80/85/654818085.db2.gz FNVBWEZRRAFTIH-UHFFFAOYSA-N 2 2 398.349 2.161 20 0 GEADLP Cc1c[nH+]c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1NC1CC1 ZINC001164817627 720284960 /nfs/dbraw/zinc/28/49/60/720284960.db2.gz FLLWTIJICGTCFU-MOPGFXCFSA-N 2 2 398.555 2.271 20 0 GEADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(N)cc(Cl)[nH+]2)CC1 ZINC001164825090 720310915 /nfs/dbraw/zinc/31/09/15/720310915.db2.gz SJGFCFMQAPQXEG-HZPDHXFCSA-N 2 2 377.920 2.229 20 0 GEADLP C[NH+]1CCN(c2cccc(N([C@H]3COC4(C3)CC[NH2+]CC4)C(C)(C)C)[nH+]2)CC1 ZINC001164736213 720545296 /nfs/dbraw/zinc/54/52/96/720545296.db2.gz WAUIFXMETBUPQG-GOSISDBHSA-N 3 2 387.572 2.349 20 0 GEADLP Cc1nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc(N2CCCC2)[nH+]1 ZINC001164734099 720551923 /nfs/dbraw/zinc/55/19/23/720551923.db2.gz UMNMUYLDXZEIQI-UHFFFAOYSA-N 2 2 381.528 2.240 20 0 GEADLP Cc1nc(N2CCCC2)cc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)[nH+]1 ZINC001164734099 720551934 /nfs/dbraw/zinc/55/19/34/720551934.db2.gz UMNMUYLDXZEIQI-UHFFFAOYSA-N 2 2 381.528 2.240 20 0 GEADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736939 720576652 /nfs/dbraw/zinc/57/66/52/720576652.db2.gz WHCKGMWZKKSSCF-WAYWQWQTSA-N 2 2 395.507 2.431 20 0 GEADLP CCc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc(C)[nH+]1 ZINC001164746620 720848317 /nfs/dbraw/zinc/84/83/17/720848317.db2.gz PPVBGRRCBUNZKX-GUDVDZBRSA-N 2 2 381.528 2.318 20 0 GEADLP CCc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc(C)[nH+]1 ZINC001164746620 720848319 /nfs/dbraw/zinc/84/83/19/720848319.db2.gz PPVBGRRCBUNZKX-GUDVDZBRSA-N 2 2 381.528 2.318 20 0 GEADLP C[C@@H]1CCCN(c2cc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nc[nH+]2)C1 ZINC001164770136 721223354 /nfs/dbraw/zinc/22/33/54/721223354.db2.gz NOIGAZAFZWNVFX-RLLQIKCJSA-N 2 2 395.555 2.405 20 0 GEADLP C[C@@H]1CCCN(c2cc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nc[nH+]2)C1 ZINC001164770136 721223361 /nfs/dbraw/zinc/22/33/61/721223361.db2.gz NOIGAZAFZWNVFX-RLLQIKCJSA-N 2 2 395.555 2.405 20 0 GEADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2[nH+][nH]c(Cl)c3ncnc2-3)[C@@H]2CCCO[C@@H]12 ZINC001164804016 721564011 /nfs/dbraw/zinc/56/40/11/721564011.db2.gz KRIRLHSIKMXSME-CKEIUWERSA-N 2 2 399.886 2.270 20 0 GEADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2[nH+][nH]c(Cl)c3ncnc2-3)[C@@H]2CCCO[C@@H]12 ZINC001164804016 721564012 /nfs/dbraw/zinc/56/40/12/721564012.db2.gz KRIRLHSIKMXSME-CKEIUWERSA-N 2 2 399.886 2.270 20 0 GEADLP C[NH+]1CCN(c2cccc(N3CCC[C@H]4CN(C(=O)c5ccco5)C[C@H]43)[nH+]2)CC1 ZINC001165014730 721771078 /nfs/dbraw/zinc/77/10/78/721771078.db2.gz FVCDGLCPWWRQFO-ZWKOTPCHSA-N 2 2 395.507 2.167 20 0 GEADLP CC(C)Oc1cc[nH+]c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164915641 721785840 /nfs/dbraw/zinc/78/58/40/721785840.db2.gz MIGKZHABXQDSGK-QFIPXVFZSA-N 2 2 398.507 2.372 20 0 GEADLP CC(C)Oc1cc[nH+]c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164915641 721785854 /nfs/dbraw/zinc/78/58/54/721785854.db2.gz MIGKZHABXQDSGK-QFIPXVFZSA-N 2 2 398.507 2.372 20 0 GEADLP Cc1c[nH+]c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1NC1CC1 ZINC001164975546 722099089 /nfs/dbraw/zinc/09/90/89/722099089.db2.gz CIOVBYRKHYEEKA-ICSRJNTNSA-N 2 2 394.523 2.482 20 0 GEADLP Cc1c[nH+]c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1NC1CC1 ZINC001164975546 722099090 /nfs/dbraw/zinc/09/90/90/722099090.db2.gz CIOVBYRKHYEEKA-ICSRJNTNSA-N 2 2 394.523 2.482 20 0 GEADLP CCN(CC)c1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc[nH+]1 ZINC001165001659 722255182 /nfs/dbraw/zinc/25/51/82/722255182.db2.gz FQPFTVXYIBQLRB-UHFFFAOYSA-N 2 2 387.532 2.008 20 0 GEADLP CCN(CC)c1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)[nH+]cn1 ZINC001165001659 722255184 /nfs/dbraw/zinc/25/51/84/722255184.db2.gz FQPFTVXYIBQLRB-UHFFFAOYSA-N 2 2 387.532 2.008 20 0 GEADLP CSc1ncc(Cl)c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000050799296 531739013 /nfs/dbraw/zinc/73/90/13/531739013.db2.gz OYZVTGKJIMNBLQ-UHFFFAOYSA-N 2 2 383.949 2.140 20 0 GEADLP O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000131834004 532204299 /nfs/dbraw/zinc/20/42/99/532204299.db2.gz AFXNMZGHWYDTDC-CYBMUJFWSA-N 2 2 378.274 2.391 20 0 GEADLP O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000131834004 532204304 /nfs/dbraw/zinc/20/43/04/532204304.db2.gz AFXNMZGHWYDTDC-CYBMUJFWSA-N 2 2 378.274 2.391 20 0 GEADLP C[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000180014260 532254123 /nfs/dbraw/zinc/25/41/23/532254123.db2.gz CEHSVFFRIIARGX-OAHLLOKOSA-N 2 2 383.583 2.346 20 0 GEADLP O=S(=O)(NCC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000181532542 532300842 /nfs/dbraw/zinc/30/08/42/532300842.db2.gz JTFZOFPQNFIMCY-KRWDZBQOSA-N 2 2 379.551 2.281 20 0 GEADLP O=S(=O)(NCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC000181532542 532300845 /nfs/dbraw/zinc/30/08/45/532300845.db2.gz JTFZOFPQNFIMCY-KRWDZBQOSA-N 2 2 379.551 2.281 20 0 GEADLP COC(=O)[C@H](c1cccc(Br)c1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182955876 532319789 /nfs/dbraw/zinc/31/97/89/532319789.db2.gz FUTBHBDYKUBGKW-KRWDZBQOSA-N 2 2 398.345 2.233 20 0 GEADLP COC(=O)[C@H](c1cccc(Br)c1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182955876 532319792 /nfs/dbraw/zinc/31/97/92/532319792.db2.gz FUTBHBDYKUBGKW-KRWDZBQOSA-N 2 2 398.345 2.233 20 0 GEADLP Cc1ccc(Br)nc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000191627780 532361715 /nfs/dbraw/zinc/36/17/15/532361715.db2.gz RAMUOTZHQILYCS-UHFFFAOYSA-N 2 2 383.334 2.251 20 0 GEADLP Cc1ccc(Br)nc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000191627780 532361716 /nfs/dbraw/zinc/36/17/16/532361716.db2.gz RAMUOTZHQILYCS-UHFFFAOYSA-N 2 2 383.334 2.251 20 0 GEADLP Cn1ncc(Br)c1C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000278488537 532381829 /nfs/dbraw/zinc/38/18/29/532381829.db2.gz LRTYRWSDLGILDC-UHFFFAOYSA-N 2 2 393.329 2.429 20 0 GEADLP CN(C(=O)c1ccc(Br)c(O)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000677911924 532385944 /nfs/dbraw/zinc/38/59/44/532385944.db2.gz KIDPVJQVODFEOI-HNNXBMFYSA-N 2 2 396.329 2.395 20 0 GEADLP CN(C(=O)c1ccc(Br)c(O)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000677911924 532385957 /nfs/dbraw/zinc/38/59/57/532385957.db2.gz KIDPVJQVODFEOI-HNNXBMFYSA-N 2 2 396.329 2.395 20 0 GEADLP Cc1ccc(Br)nc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373728637 532465593 /nfs/dbraw/zinc/46/55/93/532465593.db2.gz OVCBANJCKVNCSP-CYBMUJFWSA-N 2 2 381.318 2.051 20 0 GEADLP Cc1ccc(Br)nc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373728637 532465597 /nfs/dbraw/zinc/46/55/97/532465597.db2.gz OVCBANJCKVNCSP-CYBMUJFWSA-N 2 2 381.318 2.051 20 0 GEADLP CC[C@H](Cc1ccccc1Br)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000519590463 532470970 /nfs/dbraw/zinc/47/09/70/532470970.db2.gz JSILVCIHMPSFNE-CABCVRRESA-N 2 2 383.334 2.055 20 0 GEADLP CC[C@H](Cc1ccccc1Br)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000519590463 532470980 /nfs/dbraw/zinc/47/09/80/532470980.db2.gz JSILVCIHMPSFNE-CABCVRRESA-N 2 2 383.334 2.055 20 0 GEADLP Cc1cc(Br)c(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)s1 ZINC000651582515 532479704 /nfs/dbraw/zinc/47/97/04/532479704.db2.gz OAMXEBGVZUXREE-CQSZACIVSA-N 2 2 388.375 2.315 20 0 GEADLP NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000562839304 532485392 /nfs/dbraw/zinc/48/53/92/532485392.db2.gz LJYOVLDPECHIAT-IKGGRYGDSA-N 2 2 396.329 2.194 20 0 GEADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000563356759 532502194 /nfs/dbraw/zinc/50/21/94/532502194.db2.gz YOBLOOZHBQLYOB-UKRRQHHQSA-N 2 2 380.286 2.412 20 0 GEADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000563356759 532502202 /nfs/dbraw/zinc/50/22/02/532502202.db2.gz YOBLOOZHBQLYOB-UKRRQHHQSA-N 2 2 380.286 2.412 20 0 GEADLP C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430614386 532500905 /nfs/dbraw/zinc/50/09/05/532500905.db2.gz YYDLPSAPUDEYNZ-NEPJUHHUSA-N 2 2 387.311 2.107 20 0 GEADLP C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430614386 532500912 /nfs/dbraw/zinc/50/09/12/532500912.db2.gz YYDLPSAPUDEYNZ-NEPJUHHUSA-N 2 2 387.311 2.107 20 0 GEADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000653087484 532530245 /nfs/dbraw/zinc/53/02/45/532530245.db2.gz YORPOSFLYDJYTE-GJZGRUSLSA-N 2 2 378.275 2.311 20 0 GEADLP COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653083909 532530933 /nfs/dbraw/zinc/53/09/33/532530933.db2.gz OFCAEWGFOXXVOS-GJZGRUSLSA-N 2 2 384.318 2.400 20 0 GEADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000653154866 532532405 /nfs/dbraw/zinc/53/24/05/532532405.db2.gz BISWIFKCHAHCKB-MRXNPFEDSA-N 2 2 384.318 2.098 20 0 GEADLP CN([C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cscn1 ZINC000565360771 532559197 /nfs/dbraw/zinc/55/91/97/532559197.db2.gz UYYOTLRYCQOFDM-JKSUJKDBSA-N 2 2 386.587 2.101 20 0 GEADLP CN([C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cscn1 ZINC000565360771 532559200 /nfs/dbraw/zinc/55/92/00/532559200.db2.gz UYYOTLRYCQOFDM-JKSUJKDBSA-N 2 2 386.587 2.101 20 0 GEADLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]CCCNC(=O)C(F)(F)F)[C@H](C)C2)s1 ZINC000375514694 532563066 /nfs/dbraw/zinc/56/30/66/532563066.db2.gz OBRCWEUPMMUBEE-BXUZGUMPSA-N 2 2 378.464 2.320 20 0 GEADLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]CCCNC(=O)C(F)(F)F)[C@H](C)C2)s1 ZINC000375514694 532563072 /nfs/dbraw/zinc/56/30/72/532563072.db2.gz OBRCWEUPMMUBEE-BXUZGUMPSA-N 2 2 378.464 2.320 20 0 GEADLP C[NH+]1CCC(CC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CC1 ZINC000654484025 532563311 /nfs/dbraw/zinc/56/33/11/532563311.db2.gz RUZRPBCVHIUHFS-UHFFFAOYSA-N 2 2 397.317 2.351 20 0 GEADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(Br)cc2c1OCC2 ZINC000262052306 532582907 /nfs/dbraw/zinc/58/29/07/532582907.db2.gz QHGKVMJKJOAWDL-MRXNPFEDSA-N 2 2 396.329 2.204 20 0 GEADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(Br)cc2c1OCC2 ZINC000262052306 532582910 /nfs/dbraw/zinc/58/29/10/532582910.db2.gz QHGKVMJKJOAWDL-MRXNPFEDSA-N 2 2 396.329 2.204 20 0 GEADLP Clc1ccc(-n2cc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)nn2)cc1Cl ZINC000262188792 532586911 /nfs/dbraw/zinc/58/69/11/532586911.db2.gz YAIZUSCAXJQWMM-HNNXBMFYSA-N 2 2 381.311 2.054 20 0 GEADLP Clc1ccc(-n2cc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)nn2)cc1Cl ZINC000262188792 532586916 /nfs/dbraw/zinc/58/69/16/532586916.db2.gz YAIZUSCAXJQWMM-HNNXBMFYSA-N 2 2 381.311 2.054 20 0 GEADLP Ic1ccc(C[N@@H+]2CCC[C@@H]2CNC2=[NH+]CCCN2)cc1 ZINC000262437956 532595216 /nfs/dbraw/zinc/59/52/16/532595216.db2.gz XQYPZWRILDRRPR-OAHLLOKOSA-N 2 2 398.292 2.195 20 0 GEADLP Ic1ccc(C[N@H+]2CCC[C@@H]2CNC2=[NH+]CCCN2)cc1 ZINC000262437956 532595221 /nfs/dbraw/zinc/59/52/21/532595221.db2.gz XQYPZWRILDRRPR-OAHLLOKOSA-N 2 2 398.292 2.195 20 0 GEADLP Cc1cc(Br)cn2c(C[NH2+][C@H]3CCc4c(nnn4C)C3)c[nH+]c12 ZINC000655840725 532601597 /nfs/dbraw/zinc/60/15/97/532601597.db2.gz INYSGJUEAHXSLX-LBPRGKRZSA-N 2 2 375.274 2.181 20 0 GEADLP C[NH+]1CCc2nc(C(NCCF)c3nc4c(s3)C[N@H+](C)CC4)sc2C1 ZINC000436285177 532631119 /nfs/dbraw/zinc/63/11/19/532631119.db2.gz OVLGZGQWAVGLIK-UHFFFAOYSA-N 2 2 381.546 2.224 20 0 GEADLP C[NH+]1CCc2nc(C(NCCF)c3nc4c(s3)C[N@@H+](C)CC4)sc2C1 ZINC000436285177 532631127 /nfs/dbraw/zinc/63/11/27/532631127.db2.gz OVLGZGQWAVGLIK-UHFFFAOYSA-N 2 2 381.546 2.224 20 0 GEADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cnn2cc(Br)cnc12 ZINC000638180332 532683863 /nfs/dbraw/zinc/68/38/63/532683863.db2.gz KAFULWBPMMMRAM-OAGGEKHMSA-N 2 2 394.317 2.175 20 0 GEADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cnn2cc(Br)cnc12 ZINC000638180332 532683867 /nfs/dbraw/zinc/68/38/67/532683867.db2.gz KAFULWBPMMMRAM-OAGGEKHMSA-N 2 2 394.317 2.175 20 0 GEADLP Cn1cc[nH+]c1N1CC[NH+](Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000534110022 532669617 /nfs/dbraw/zinc/66/96/17/532669617.db2.gz KVNJDVRIKNDWHA-UHFFFAOYSA-N 2 2 379.258 2.234 20 0 GEADLP O=C(C[NH+]1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1)NC1CC1 ZINC000301133931 532742370 /nfs/dbraw/zinc/74/23/70/532742370.db2.gz WDCIAMUFCDJGCZ-UHFFFAOYSA-N 2 2 389.297 2.398 20 0 GEADLP O=S(=O)(C1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1)N1CCCC1 ZINC000504544471 532748508 /nfs/dbraw/zinc/74/85/08/532748508.db2.gz DHYRWCGKQZINLU-UHFFFAOYSA-N 2 2 380.539 2.324 20 0 GEADLP CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000541378904 532752514 /nfs/dbraw/zinc/75/25/14/532752514.db2.gz XVGGXHHIRWJUEU-UHFFFAOYSA-N 2 2 382.555 2.474 20 0 GEADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2ncc(I)s2)CCCO1 ZINC000511765009 532775129 /nfs/dbraw/zinc/77/51/29/532775129.db2.gz KZBXXOQURJIEGK-NSHDSACASA-N 2 2 395.310 2.338 20 0 GEADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ncc(I)s2)CCCO1 ZINC000511765009 532775137 /nfs/dbraw/zinc/77/51/37/532775137.db2.gz KZBXXOQURJIEGK-NSHDSACASA-N 2 2 395.310 2.338 20 0 GEADLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268837807 532772259 /nfs/dbraw/zinc/77/22/59/532772259.db2.gz MNBVQULSFZIZPZ-CYBMUJFWSA-N 2 2 376.469 2.180 20 0 GEADLP CNC(=O)C[NH+]1CCC(Nc2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000413097340 532806702 /nfs/dbraw/zinc/80/67/02/532806702.db2.gz RFBOAATWRROZIF-UHFFFAOYSA-N 2 2 377.286 2.620 20 0 GEADLP COC[C@@]1(C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CCC[NH2+]1 ZINC000414948566 532836325 /nfs/dbraw/zinc/83/63/25/532836325.db2.gz XQXUZXOTQKEQEE-KRWDZBQOSA-N 2 2 385.302 2.469 20 0 GEADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000414977902 532836569 /nfs/dbraw/zinc/83/65/69/532836569.db2.gz QXICMIJFDSGKRW-NSHDSACASA-N 2 2 382.224 2.341 20 0 GEADLP CCOCCOc1ccc(Br)cc1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415049301 532837427 /nfs/dbraw/zinc/83/74/27/532837427.db2.gz XUIKHJBFDCBPET-MRXNPFEDSA-N 2 2 387.318 2.333 20 0 GEADLP O=C1N[C@H]2C[N@H+](Cc3cccc(Br)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415137701 532838780 /nfs/dbraw/zinc/83/87/80/532838780.db2.gz JCPDIBPIXLLXJE-DLBZAZTESA-N 2 2 393.329 2.169 20 0 GEADLP O=C1N[C@H]2C[N@@H+](Cc3cccc(Br)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415137701 532838783 /nfs/dbraw/zinc/83/87/83/532838783.db2.gz JCPDIBPIXLLXJE-DLBZAZTESA-N 2 2 393.329 2.169 20 0 GEADLP O=C1N[C@H]2C[N@H+](Cc3csc(Br)c3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415134821 532838823 /nfs/dbraw/zinc/83/88/23/532838823.db2.gz FBXUCVZOHZIEHG-KBPBESRZSA-N 2 2 399.358 2.231 20 0 GEADLP O=C1N[C@H]2C[N@@H+](Cc3csc(Br)c3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415134821 532838826 /nfs/dbraw/zinc/83/88/26/532838826.db2.gz FBXUCVZOHZIEHG-KBPBESRZSA-N 2 2 399.358 2.231 20 0 GEADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3cc4c(cc3Br)OCO4)C2)nn1 ZINC000415133786 532839036 /nfs/dbraw/zinc/83/90/36/532839036.db2.gz VMRHUAFMAVULTD-CYBMUJFWSA-N 2 2 394.273 2.065 20 0 GEADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cc4c(cc3Br)OCO4)C2)nn1 ZINC000415133786 532839037 /nfs/dbraw/zinc/83/90/37/532839037.db2.gz VMRHUAFMAVULTD-CYBMUJFWSA-N 2 2 394.273 2.065 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)[nH+]c12 ZINC000332256043 532851089 /nfs/dbraw/zinc/85/10/89/532851089.db2.gz CRXPYMLUHQMEKT-RYUDHWBXSA-N 2 2 380.290 2.297 20 0 GEADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Br)nc1 ZINC000289629659 532860840 /nfs/dbraw/zinc/86/08/40/532860840.db2.gz HFGWKVMGPWACPW-ZFWWWQNUSA-N 2 2 383.334 2.437 20 0 GEADLP O=C(C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)Nc1ccccc1Br ZINC000333877080 532874607 /nfs/dbraw/zinc/87/46/07/532874607.db2.gz TTZHDDGXJMRALI-CJNGLKHVSA-N 2 2 394.313 2.088 20 0 GEADLP O=C(C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)Nc1ccccc1Br ZINC000333877080 532874609 /nfs/dbraw/zinc/87/46/09/532874609.db2.gz TTZHDDGXJMRALI-CJNGLKHVSA-N 2 2 394.313 2.088 20 0 GEADLP C[C@@H]1C[N@H+](C[C@H](O)c2cccc(Br)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000367031947 532922539 /nfs/dbraw/zinc/92/25/39/532922539.db2.gz XUYKMWOVTKPKRT-LZQZEXGQSA-N 2 2 396.373 2.440 20 0 GEADLP C[C@@H]1C[N@@H+](C[C@H](O)c2cccc(Br)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000367031947 532922541 /nfs/dbraw/zinc/92/25/41/532922541.db2.gz XUYKMWOVTKPKRT-LZQZEXGQSA-N 2 2 396.373 2.440 20 0 GEADLP Cc1nn(C)c(CNC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1Br ZINC000368448936 532932569 /nfs/dbraw/zinc/93/25/69/532932569.db2.gz GMOUCQSZZGPFMG-UHFFFAOYSA-N 2 2 384.366 2.139 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3ccc(Br)cc3)C2)CC1 ZINC000369279531 532937776 /nfs/dbraw/zinc/93/77/76/532937776.db2.gz XSCQSKVNRSNVCF-MRXNPFEDSA-N 2 2 380.330 2.276 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3ccc(Br)cc3)C2)CC1 ZINC000369279531 532937777 /nfs/dbraw/zinc/93/77/77/532937777.db2.gz XSCQSKVNRSNVCF-MRXNPFEDSA-N 2 2 380.330 2.276 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(F)cc(Br)c3)C2)CC1 ZINC000369267355 532937939 /nfs/dbraw/zinc/93/79/39/532937939.db2.gz PFBMBJLMFBZATQ-HNNXBMFYSA-N 2 2 384.293 2.487 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc(F)cc(Br)c3)C2)CC1 ZINC000369267355 532937940 /nfs/dbraw/zinc/93/79/40/532937940.db2.gz PFBMBJLMFBZATQ-HNNXBMFYSA-N 2 2 384.293 2.487 20 0 GEADLP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736531184 599089154 /nfs/dbraw/zinc/08/91/54/599089154.db2.gz SGWBKBDOGPSAEE-LJQANCHMSA-N 2 2 393.495 2.025 20 0 GEADLP COCCCCC[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000736979305 598716105 /nfs/dbraw/zinc/71/61/05/598716105.db2.gz QRQUFCCCYJAPFC-UHFFFAOYSA-N 2 2 381.484 2.354 20 0 GEADLP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)nc[nH+]1 ZINC000736887242 599317448 /nfs/dbraw/zinc/31/74/48/599317448.db2.gz LURVPECSPODHID-CJNGLKHVSA-N 2 2 379.472 2.018 20 0 GEADLP c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000738439694 599483355 /nfs/dbraw/zinc/48/33/55/599483355.db2.gz BNYXYOGVJDWKQS-UHFFFAOYSA-N 2 2 388.479 2.052 20 0 GEADLP c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000738439694 599483358 /nfs/dbraw/zinc/48/33/58/599483358.db2.gz BNYXYOGVJDWKQS-UHFFFAOYSA-N 2 2 388.479 2.052 20 0 GEADLP c1cn(Cc2ccccc2C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c[nH+]1 ZINC000738432266 599485709 /nfs/dbraw/zinc/48/57/09/599485709.db2.gz GEZJVZFDZZZYPF-UHFFFAOYSA-N 2 2 385.435 2.049 20 0 GEADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CC[NH+](CC2CCOCC2)CC1 ZINC000822336826 599564871 /nfs/dbraw/zinc/56/48/71/599564871.db2.gz RNPPOGJUOQKGEX-UHFFFAOYSA-N 2 2 393.495 2.272 20 0 GEADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)cc2)CC1 ZINC000821277147 606409532 /nfs/dbraw/zinc/40/95/32/606409532.db2.gz QJIHHLDWBQYTGE-UHFFFAOYSA-N 2 2 397.552 2.356 20 0 GEADLP Cc1nn(-c2ccccc2)c(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1-c1nn[nH]n1 ZINC000826332065 608314895 /nfs/dbraw/zinc/31/48/95/608314895.db2.gz IREWVPAOFMKTJU-MRXNPFEDSA-N 2 2 380.500 2.134 20 0 GEADLP Cc1nn(-c2ccccc2)c(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1-c1nn[nH]n1 ZINC000826332065 608314897 /nfs/dbraw/zinc/31/48/97/608314897.db2.gz IREWVPAOFMKTJU-MRXNPFEDSA-N 2 2 380.500 2.134 20 0 GEADLP Cc1oc(NC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c(-c2nn[nH]n2)c1C ZINC000826341966 608378697 /nfs/dbraw/zinc/37/86/97/608378697.db2.gz UVLYUHBTMYOCIW-UHFFFAOYSA-N 2 2 389.504 2.069 20 0 GEADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824577003 609146043 /nfs/dbraw/zinc/14/60/43/609146043.db2.gz FTLOJYYSSDHRFI-VFNWGFHPSA-N 2 2 396.470 2.293 20 0 GEADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824577003 609146045 /nfs/dbraw/zinc/14/60/45/609146045.db2.gz FTLOJYYSSDHRFI-VFNWGFHPSA-N 2 2 396.470 2.293 20 0 GEADLP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824624967 609327554 /nfs/dbraw/zinc/32/75/54/609327554.db2.gz CXKCVFBBBUYSAR-CQSZACIVSA-N 2 2 396.474 2.003 20 0 GEADLP C[C@@H](CNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1)[NH+](C)C ZINC000459061575 650418394 /nfs/dbraw/zinc/41/83/94/650418394.db2.gz PVAMYKAHYIPLGC-ZDUSSCGKSA-N 2 2 398.305 2.401 20 0 GEADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462390791 650477672 /nfs/dbraw/zinc/47/76/72/650477672.db2.gz HBGDDUIGDXKJPA-KBXCAEBGSA-N 2 2 380.330 2.481 20 0 GEADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462390791 650477674 /nfs/dbraw/zinc/47/76/74/650477674.db2.gz HBGDDUIGDXKJPA-KBXCAEBGSA-N 2 2 380.330 2.481 20 0 GEADLP C[C@@H]1Cc2ccc(Br)cc2C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000514146331 650573963 /nfs/dbraw/zinc/57/39/63/650573963.db2.gz WVLUTEBNTPDRPF-CQSZACIVSA-N 2 2 380.330 2.360 20 0 GEADLP C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000514146331 650573970 /nfs/dbraw/zinc/57/39/70/650573970.db2.gz WVLUTEBNTPDRPF-CQSZACIVSA-N 2 2 380.330 2.360 20 0 GEADLP C[N@H+](C[C@H](O)C[NH2+]C1(c2cccc(Br)c2)CCOCC1)C1CC1 ZINC000515256034 650590488 /nfs/dbraw/zinc/59/04/88/650590488.db2.gz RDXGDICXUUMNOK-QGZVFWFLSA-N 2 2 383.330 2.500 20 0 GEADLP C[N@@H+](C[C@H](O)C[NH2+]C1(c2cccc(Br)c2)CCOCC1)C1CC1 ZINC000515256034 650590489 /nfs/dbraw/zinc/59/04/89/650590489.db2.gz RDXGDICXUUMNOK-QGZVFWFLSA-N 2 2 383.330 2.500 20 0 GEADLP Cc1[nH+]ccn1CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480257158 650618534 /nfs/dbraw/zinc/61/85/34/650618534.db2.gz QJDJNYHFGJWWDV-AWEZNQCLSA-N 2 2 384.299 2.462 20 0 GEADLP CS[C@H]1CN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)C[C@@H]1[NH+](C)C ZINC000534825452 650780955 /nfs/dbraw/zinc/78/09/55/650780955.db2.gz FOKLIMXJUFPLNO-HOTGVXAUSA-N 2 2 378.567 2.380 20 0 GEADLP CS[C@@H]1CN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)C[C@@H]1[NH+](C)C ZINC000534825454 650781060 /nfs/dbraw/zinc/78/10/60/650781060.db2.gz FOKLIMXJUFPLNO-JKSUJKDBSA-N 2 2 378.567 2.380 20 0 GEADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)Cn2cc(Br)cn2)nc[nH+]1 ZINC000180571314 644507892 /nfs/dbraw/zinc/50/78/92/644507892.db2.gz SAUMZCRGKQYFQY-TZMCWYRMSA-N 2 2 394.321 2.124 20 0 GEADLP Cc1cc(Br)cn2c(CN3CC[NH2+]C[C@H]3c3nccn3C)c[nH+]c12 ZINC000261940721 645614121 /nfs/dbraw/zinc/61/41/21/645614121.db2.gz DPFBJIUMGOFRDJ-HNNXBMFYSA-N 2 2 389.301 2.285 20 0 GEADLP CCOCCOc1ccc(Br)cc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000269819520 646063660 /nfs/dbraw/zinc/06/36/60/646063660.db2.gz OXUJWJMJVMXDEC-QGZVFWFLSA-N 2 2 389.334 2.267 20 0 GEADLP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c(Br)c1 ZINC000271857130 646235535 /nfs/dbraw/zinc/23/55/35/646235535.db2.gz JOQGIVVJXPUOEN-WBMJQRKESA-N 2 2 384.318 2.448 20 0 GEADLP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c(Br)c1 ZINC000271857130 646235539 /nfs/dbraw/zinc/23/55/39/646235539.db2.gz JOQGIVVJXPUOEN-WBMJQRKESA-N 2 2 384.318 2.448 20 0 GEADLP Cn1ncc(Br)c1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000278858559 646558202 /nfs/dbraw/zinc/55/82/02/646558202.db2.gz XRRPXFIPKAJJCI-HNNXBMFYSA-N 2 2 379.302 2.039 20 0 GEADLP Cn1ncc(Br)c1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000278858559 646558208 /nfs/dbraw/zinc/55/82/08/646558208.db2.gz XRRPXFIPKAJJCI-HNNXBMFYSA-N 2 2 379.302 2.039 20 0 GEADLP [NH3+]CC1(O)CC[NH+](Cc2ccc(Br)c(Br)c2)CC1 ZINC000397065267 647897620 /nfs/dbraw/zinc/89/76/20/647897620.db2.gz TYHSUNQOLXEWJX-UHFFFAOYSA-N 2 2 378.108 2.497 20 0 GEADLP C[NH2+]C[C@@H]1CCCN1C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000418019887 648271366 /nfs/dbraw/zinc/27/13/66/648271366.db2.gz LZWOWTLZCBBEMQ-HNNXBMFYSA-N 2 2 394.317 2.341 20 0 GEADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(Br)cn3)CC2)CC1 ZINC000422015033 648517991 /nfs/dbraw/zinc/51/79/91/648517991.db2.gz GJNZGXYEFREVPR-UHFFFAOYSA-N 2 2 395.345 2.476 20 0 GEADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(Br)cn3)CC2)CC1 ZINC000422015033 648517995 /nfs/dbraw/zinc/51/79/95/648517995.db2.gz GJNZGXYEFREVPR-UHFFFAOYSA-N 2 2 395.345 2.476 20 0 GEADLP Brc1ccccc1N1CC[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000422703482 648573583 /nfs/dbraw/zinc/57/35/83/648573583.db2.gz HVIKXEICFGAKSF-JCGIZDLHSA-N 2 2 380.330 2.384 20 0 GEADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000423154846 648584954 /nfs/dbraw/zinc/58/49/54/648584954.db2.gz KDKHQUGLTKWETJ-DVOMOZLQSA-N 2 2 389.309 2.096 20 0 GEADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(F)c(I)c1 ZINC000423490037 648593081 /nfs/dbraw/zinc/59/30/81/648593081.db2.gz HHWNMISYPNPMLY-CMPLNLGQSA-N 2 2 378.229 2.459 20 0 GEADLP CSCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000604496063 651514516 /nfs/dbraw/zinc/51/45/16/651514516.db2.gz MUQGJBKIZWRETA-OAHLLOKOSA-N 2 2 375.460 2.430 20 0 GEADLP NC(=O)[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349648 651916202 /nfs/dbraw/zinc/91/62/02/651916202.db2.gz WSRMZMVZOIOQNA-SVGFKBNWSA-N 2 2 396.329 2.194 20 0 GEADLP NC(=O)[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349648 651916204 /nfs/dbraw/zinc/91/62/04/651916204.db2.gz WSRMZMVZOIOQNA-SVGFKBNWSA-N 2 2 396.329 2.194 20 0 GEADLP Cn1ncc(Br)c1C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000573896893 651986368 /nfs/dbraw/zinc/98/63/68/651986368.db2.gz XOTSIWRBGYVCPK-QGZVFWFLSA-N 2 2 392.345 2.261 20 0 GEADLP [NH3+]CCC[NH+]1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000574088476 652000391 /nfs/dbraw/zinc/00/03/91/652000391.db2.gz AUSVVMWFVCLABC-UHFFFAOYSA-N 2 2 378.826 2.264 20 0 GEADLP C[NH+]1CCC(CNC(=O)NC[C@@H]2CC2(Cl)Cl)([NH+]2CCCCC2)CC1 ZINC000745302895 652074116 /nfs/dbraw/zinc/07/41/16/652074116.db2.gz OESNREFUIOESMC-AWEZNQCLSA-N 2 2 377.360 2.430 20 0 GEADLP Cc1c(Br)cncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000657462737 652165999 /nfs/dbraw/zinc/16/59/99/652165999.db2.gz DWIBGBOAFJMBSZ-MQVJKMGUSA-N 2 2 395.345 2.326 20 0 GEADLP Cc1c(Br)cncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000657462737 652166005 /nfs/dbraw/zinc/16/60/05/652166005.db2.gz DWIBGBOAFJMBSZ-MQVJKMGUSA-N 2 2 395.345 2.326 20 0 GEADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000578244750 652255865 /nfs/dbraw/zinc/25/58/65/652255865.db2.gz IFILUNCKNJXPCN-STQMWFEESA-N 2 2 381.464 2.280 20 0 GEADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000578244750 652255871 /nfs/dbraw/zinc/25/58/71/652255871.db2.gz IFILUNCKNJXPCN-STQMWFEESA-N 2 2 381.464 2.280 20 0 GEADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000578244750 652255879 /nfs/dbraw/zinc/25/58/79/652255879.db2.gz IFILUNCKNJXPCN-STQMWFEESA-N 2 2 381.464 2.280 20 0 GEADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000578244750 652255886 /nfs/dbraw/zinc/25/58/86/652255886.db2.gz IFILUNCKNJXPCN-STQMWFEESA-N 2 2 381.464 2.280 20 0 GEADLP COc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1Br ZINC000625519646 652351463 /nfs/dbraw/zinc/35/14/63/652351463.db2.gz OTHIRXLSIMTNDS-AWEZNQCLSA-N 2 2 396.329 2.356 20 0 GEADLP COc1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1Br ZINC000625519646 652351465 /nfs/dbraw/zinc/35/14/65/652351465.db2.gz OTHIRXLSIMTNDS-AWEZNQCLSA-N 2 2 396.329 2.356 20 0 GEADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cncc(Br)c1 ZINC000580581572 652384821 /nfs/dbraw/zinc/38/48/21/652384821.db2.gz JOFDSLCXRCILKX-XJKSGUPXSA-N 2 2 383.334 2.437 20 0 GEADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cncc(Br)c1 ZINC000580581572 652384824 /nfs/dbraw/zinc/38/48/24/652384824.db2.gz JOFDSLCXRCILKX-XJKSGUPXSA-N 2 2 383.334 2.437 20 0 GEADLP O=C(c1ccc(Cl)cc1Cl)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662248531 652454184 /nfs/dbraw/zinc/45/41/84/652454184.db2.gz FFTQCGVEPITISI-CQSZACIVSA-N 2 2 384.307 2.272 20 0 GEADLP O=C(Nc1cccc(Br)c1)C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662256127 652454756 /nfs/dbraw/zinc/45/47/56/652454756.db2.gz GQWSXEBROABLMV-MRXNPFEDSA-N 2 2 382.302 2.088 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)NCC[C@@H]3CC[NH2+]C3)[nH+]c12 ZINC000582655242 652457836 /nfs/dbraw/zinc/45/78/36/652457836.db2.gz BGDNJLCIGZDKIO-ZDUSSCGKSA-N 2 2 394.317 2.247 20 0 GEADLP C[NH+]1CCC([C@H]2CC[N@H+](Cn3nc(N4CCOCC4)sc3=S)C2)CC1 ZINC000755779510 652476452 /nfs/dbraw/zinc/47/64/52/652476452.db2.gz JDOGMNCKXZZTBO-HNNXBMFYSA-N 2 2 383.587 2.132 20 0 GEADLP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3nc(N4CCOCC4)sc3=S)C2)CC1 ZINC000755779510 652476456 /nfs/dbraw/zinc/47/64/56/652476456.db2.gz JDOGMNCKXZZTBO-HNNXBMFYSA-N 2 2 383.587 2.132 20 0 GEADLP Cc1c(Br)cncc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668638870 652655707 /nfs/dbraw/zinc/65/57/07/652655707.db2.gz BTPZKIPOUSBWHG-ZDUSSCGKSA-N 2 2 381.318 2.051 20 0 GEADLP Cc1c(Br)cncc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668638870 652655713 /nfs/dbraw/zinc/65/57/13/652655713.db2.gz BTPZKIPOUSBWHG-ZDUSSCGKSA-N 2 2 381.318 2.051 20 0 GEADLP Cc1cc(Br)cn2c(CN3CCC([N@@H+]4CC[C@@H](O)C4)CC3)c[nH+]c12 ZINC000668739005 652665303 /nfs/dbraw/zinc/66/53/03/652665303.db2.gz HYHONWKIZNLIGT-QGZVFWFLSA-N 2 2 393.329 2.436 20 0 GEADLP Cc1cc(Br)cn2c(CN3CCC([N@H+]4CC[C@@H](O)C4)CC3)c[nH+]c12 ZINC000668739005 652665309 /nfs/dbraw/zinc/66/53/09/652665309.db2.gz HYHONWKIZNLIGT-QGZVFWFLSA-N 2 2 393.329 2.436 20 0 GEADLP NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000638449508 652889997 /nfs/dbraw/zinc/88/99/97/652889997.db2.gz SHIXTONVYXHZGY-MRXNPFEDSA-N 2 2 379.551 2.397 20 0 GEADLP NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000638449508 652890000 /nfs/dbraw/zinc/89/00/00/652890000.db2.gz SHIXTONVYXHZGY-MRXNPFEDSA-N 2 2 379.551 2.397 20 0 GEADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC1 ZINC000679336318 653144363 /nfs/dbraw/zinc/14/43/63/653144363.db2.gz LHPKBUAXEDLCBM-AEFFLSMTSA-N 2 2 396.329 2.033 20 0 GEADLP Brc1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)s1 ZINC000641789811 653234137 /nfs/dbraw/zinc/23/41/37/653234137.db2.gz WOCQEIWUXGSQQZ-AWEZNQCLSA-N 2 2 388.375 2.397 20 0 GEADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)cn1 ZINC000684551738 653276142 /nfs/dbraw/zinc/27/61/42/653276142.db2.gz BTNYAWQPNIINGA-XJKSGUPXSA-N 2 2 383.334 2.437 20 0 GEADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)cn1 ZINC000684551738 653276152 /nfs/dbraw/zinc/27/61/52/653276152.db2.gz BTNYAWQPNIINGA-XJKSGUPXSA-N 2 2 383.334 2.437 20 0 GEADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1Br ZINC000877022043 653460761 /nfs/dbraw/zinc/46/07/61/653460761.db2.gz NHGJUGLMAHRRGN-UONOGXRCSA-N 2 2 383.286 2.189 20 0 GEADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1Br ZINC000877022043 653460766 /nfs/dbraw/zinc/46/07/66/653460766.db2.gz NHGJUGLMAHRRGN-UONOGXRCSA-N 2 2 383.286 2.189 20 0 GEADLP Brc1cnc2c(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)cnn2c1 ZINC000877031459 653461993 /nfs/dbraw/zinc/46/19/93/653461993.db2.gz REVMLXLGANHALI-MRXNPFEDSA-N 2 2 394.317 2.225 20 0 GEADLP Brc1cnc2c(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)cnn2c1 ZINC000877031456 653462072 /nfs/dbraw/zinc/46/20/72/653462072.db2.gz REVMLXLGANHALI-INIZCTEOSA-N 2 2 394.317 2.225 20 0 GEADLP Cn1nc(Cl)c(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1Cl ZINC000859644133 653479495 /nfs/dbraw/zinc/47/94/95/653479495.db2.gz SQIMYNXHWZIBBH-UHFFFAOYSA-N 2 2 388.343 2.407 20 0 GEADLP CC[C@H]([NH3+])C[NH2+]Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000841071009 653705676 /nfs/dbraw/zinc/70/56/76/653705676.db2.gz BYYBTLIUWVCCMH-ZDUSSCGKSA-N 2 2 395.388 2.413 20 0 GEADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2cc(Br)ccc2F)CC1 ZINC000863550449 653715597 /nfs/dbraw/zinc/71/55/97/653715597.db2.gz WVMCBKGXCWEJHR-CVEARBPZSA-N 2 2 398.276 2.345 20 0 GEADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000863550507 653715638 /nfs/dbraw/zinc/71/56/38/653715638.db2.gz YCPMHNRRJGFTAT-CVEARBPZSA-N 2 2 398.276 2.345 20 0 GEADLP CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000865255487 653758185 /nfs/dbraw/zinc/75/81/85/653758185.db2.gz SOXHUXGMSOKJEC-INIZCTEOSA-N 2 2 379.599 2.083 20 0 GEADLP CC[N@H+]1CCC[C@H]1CNC(=S)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000865255487 653758186 /nfs/dbraw/zinc/75/81/86/653758186.db2.gz SOXHUXGMSOKJEC-INIZCTEOSA-N 2 2 379.599 2.083 20 0 GEADLP COC(=O)CC[N@@H+](Cc1cccc(Br)c1)C[C@H](O)C[NH+]1CCCC1 ZINC000792328258 653840100 /nfs/dbraw/zinc/84/01/00/653840100.db2.gz UNGHYINXCBBKKR-QGZVFWFLSA-N 2 2 399.329 2.271 20 0 GEADLP COC(=O)CC[N@H+](Cc1cccc(Br)c1)C[C@H](O)C[NH+]1CCCC1 ZINC000792328258 653840104 /nfs/dbraw/zinc/84/01/04/653840104.db2.gz UNGHYINXCBBKKR-QGZVFWFLSA-N 2 2 399.329 2.271 20 0 GEADLP CCC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000795094099 653930104 /nfs/dbraw/zinc/93/01/04/653930104.db2.gz UVAMGKRVEVQVBK-UHFFFAOYSA-N 2 2 389.949 2.047 20 0 GEADLP Cn1nc(C(F)(F)F)c(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1Cl ZINC000889210825 654132200 /nfs/dbraw/zinc/13/22/00/654132200.db2.gz XHDPICBJWIQTFB-UHFFFAOYSA-N 2 2 384.834 2.097 20 0 GEADLP Cn1nc(C(F)(F)F)c(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1Cl ZINC000889210825 654132203 /nfs/dbraw/zinc/13/22/03/654132203.db2.gz XHDPICBJWIQTFB-UHFFFAOYSA-N 2 2 384.834 2.097 20 0 GEADLP Cc1ccc(Cl)c(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1 ZINC000903562978 654256657 /nfs/dbraw/zinc/25/66/57/654256657.db2.gz ZQDAXVHHBJNWAA-IYBDPMFKSA-N 2 2 383.945 2.238 20 0 GEADLP Cc1ccc(Cl)c(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1 ZINC000903562978 654256662 /nfs/dbraw/zinc/25/66/62/654256662.db2.gz ZQDAXVHHBJNWAA-IYBDPMFKSA-N 2 2 383.945 2.238 20 0 GEADLP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1nc(Br)c[nH]1 ZINC000921981527 654351014 /nfs/dbraw/zinc/35/10/14/654351014.db2.gz VYXMJIXHOZXBHB-OAHLLOKOSA-N 2 2 379.302 2.419 20 0 GEADLP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1nc(Br)c[nH]1 ZINC000921981527 654351018 /nfs/dbraw/zinc/35/10/18/654351018.db2.gz VYXMJIXHOZXBHB-OAHLLOKOSA-N 2 2 379.302 2.419 20 0 GEADLP Cc1sc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1Br ZINC000873052748 654412054 /nfs/dbraw/zinc/41/20/54/654412054.db2.gz VPXSYWAWQYOLAD-AWEZNQCLSA-N 2 2 388.375 2.315 20 0 GEADLP O=C(c1cccc(Cl)c1Cl)N1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923303253 654442819 /nfs/dbraw/zinc/44/28/19/654442819.db2.gz ARYZPTNELCRYKS-ZDUSSCGKSA-N 2 2 384.307 2.130 20 0 GEADLP COC(=O)c1cc(Br)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000923332333 654444914 /nfs/dbraw/zinc/44/49/14/654444914.db2.gz LEZGVLKORDFYKF-VZJVUDMVSA-N 2 2 383.286 2.413 20 0 GEADLP COC(=O)c1cc(Br)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000923332333 654444916 /nfs/dbraw/zinc/44/49/16/654444916.db2.gz LEZGVLKORDFYKF-VZJVUDMVSA-N 2 2 383.286 2.413 20 0 GEADLP COCC[NH2+]C1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000923389680 654448514 /nfs/dbraw/zinc/44/85/14/654448514.db2.gz VQZFUARWDBVBPY-CQSZACIVSA-N 2 2 377.312 2.434 20 0 GEADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1(Br)CC1 ZINC000924879699 654527519 /nfs/dbraw/zinc/52/75/19/654527519.db2.gz PMMQVVQIOQMKRU-AWEZNQCLSA-N 2 2 381.318 2.026 20 0 GEADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2cc3c(cc2Br)CCC3)CC1 ZINC000926107459 654559336 /nfs/dbraw/zinc/55/93/36/654559336.db2.gz NPRSFEQMYFJNBH-UHFFFAOYSA-N 2 2 381.318 2.482 20 0 GEADLP C[N@H+](CC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1)C1CCC1 ZINC000909261847 654657857 /nfs/dbraw/zinc/65/78/57/654657857.db2.gz NWLUUZPTUHDTGF-UHFFFAOYSA-N 2 2 396.333 2.019 20 0 GEADLP C[N@@H+](CC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1)C1CCC1 ZINC000909261847 654657859 /nfs/dbraw/zinc/65/78/59/654657859.db2.gz NWLUUZPTUHDTGF-UHFFFAOYSA-N 2 2 396.333 2.019 20 0 GEADLP CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(Cl)nc3c1C[NH2+]CC3)CC2 ZINC001164649022 719306853 /nfs/dbraw/zinc/30/68/53/719306853.db2.gz SYGSQSXHCXAFGY-UHFFFAOYSA-N 2 2 389.935 2.177 20 0 GEADLP COC(=O)c1c(C)cc(C)[nH+]c1N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164761743 721124761 /nfs/dbraw/zinc/12/47/61/721124761.db2.gz BBKCOPSKJUXXGD-QZTJIDSGSA-N 2 2 383.496 2.177 20 0 GEADLP COC(=O)c1c(C)cc(C)[nH+]c1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164761743 721124763 /nfs/dbraw/zinc/12/47/63/721124763.db2.gz BBKCOPSKJUXXGD-QZTJIDSGSA-N 2 2 383.496 2.177 20 0 GEADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(N5CCCCC5)cc[nH+]4)C[C@@H]3C2)cn1 ZINC001164764195 721161712 /nfs/dbraw/zinc/16/17/12/721161712.db2.gz HKCPOKBHECNENR-MOPGFXCFSA-N 2 2 381.528 2.159 20 0 GEADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(N5CCCCC5)cc[nH+]4)C[C@@H]3C2)cn1 ZINC001164764195 721161718 /nfs/dbraw/zinc/16/17/18/721161718.db2.gz HKCPOKBHECNENR-MOPGFXCFSA-N 2 2 381.528 2.159 20 0 GEADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(N5CCCCC5)[nH+]cn4)C[C@H]3C2)cn1 ZINC001164765030 721194799 /nfs/dbraw/zinc/19/47/99/721194799.db2.gz HNACTAAUGYPITF-RTBURBONSA-N 2 2 381.528 2.159 20 0 GEADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(N5CCCCC5)[nH+]cn4)C[C@H]3C2)cn1 ZINC001164765030 721194803 /nfs/dbraw/zinc/19/48/03/721194803.db2.gz HNACTAAUGYPITF-RTBURBONSA-N 2 2 381.528 2.159 20 0 GEADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(N5CCCCC5)[nH+]cn4)C[C@H]3C2)cn1 ZINC001164765027 721195711 /nfs/dbraw/zinc/19/57/11/721195711.db2.gz HNACTAAUGYPITF-RBUKOAKNSA-N 2 2 381.528 2.159 20 0 GEADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(N5CCCCC5)[nH+]cn4)C[C@H]3C2)cn1 ZINC001164765027 721195725 /nfs/dbraw/zinc/19/57/25/721195725.db2.gz HNACTAAUGYPITF-RBUKOAKNSA-N 2 2 381.528 2.159 20 0 GEADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc(C(C)(C)C)c[nH+]3)CC2)C1 ZINC001164876585 721292951 /nfs/dbraw/zinc/29/29/51/721292951.db2.gz IUMKILGJZHBOJP-UHFFFAOYSA-N 2 2 388.556 2.386 20 0 GEADLP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc(C(C)(C)C)c[nH+]3)CC2)C1 ZINC001164876585 721292953 /nfs/dbraw/zinc/29/29/53/721292953.db2.gz IUMKILGJZHBOJP-UHFFFAOYSA-N 2 2 388.556 2.386 20 0 GEADLP c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4ccc5c([nH+]4)CCCC5)CCO3)C2)c1 ZINC001164910413 721778792 /nfs/dbraw/zinc/77/87/92/721778792.db2.gz BQJWJISXTXYEDD-HSZRJFAPSA-N 2 2 394.519 2.463 20 0 GEADLP c1cncc(C[N@H+]2CCOC[C@]3(CN(c4ccc5c([nH+]4)CCCC5)CCO3)C2)c1 ZINC001164910413 721778797 /nfs/dbraw/zinc/77/87/97/721778797.db2.gz BQJWJISXTXYEDD-HSZRJFAPSA-N 2 2 394.519 2.463 20 0 GEADLP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000153373663 531596214 /nfs/dbraw/zinc/59/62/14/531596214.db2.gz MWQYZOKGKZPVKQ-SJLPKXTDSA-N 2 2 398.345 2.015 20 0 GEADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2ccc(Br)s2)CC1 ZINC000175635407 532110420 /nfs/dbraw/zinc/11/04/20/532110420.db2.gz KYFVZLMPVUOIFP-UHFFFAOYSA-N 2 2 389.363 2.336 20 0 GEADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2[nH]nc3ccc(Br)cc32)CC1 ZINC000177134606 532162319 /nfs/dbraw/zinc/16/23/19/532162319.db2.gz ZXNVFPXMOJOKBA-UHFFFAOYSA-N 2 2 394.317 2.081 20 0 GEADLP C[C@@H](Oc1ccccc1Br)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177146155 532162760 /nfs/dbraw/zinc/16/27/60/532162760.db2.gz MIRGFDXSOYYBDJ-CQSZACIVSA-N 2 2 398.345 2.359 20 0 GEADLP COCC[N@H+](C)CCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000128375455 532163802 /nfs/dbraw/zinc/16/38/02/532163802.db2.gz WRZPOIPGROCOTK-KRWDZBQOSA-N 2 2 398.345 2.280 20 0 GEADLP COCC[N@@H+](C)CCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000128375455 532163807 /nfs/dbraw/zinc/16/38/07/532163807.db2.gz WRZPOIPGROCOTK-KRWDZBQOSA-N 2 2 398.345 2.280 20 0 GEADLP C[NH+]1CCN(c2ncc(C[NH2+]Cc3cc(F)ccc3Br)cn2)CC1 ZINC000134132254 532251038 /nfs/dbraw/zinc/25/10/38/532251038.db2.gz IVZCJRQBLABKAR-UHFFFAOYSA-N 2 2 394.292 2.420 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(Br)cc3N)CC2)CC1 ZINC000185255291 532337291 /nfs/dbraw/zinc/33/72/91/532337291.db2.gz RYAXAHDYFJICIT-UHFFFAOYSA-N 2 2 395.345 2.320 20 0 GEADLP C[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000184324015 532332021 /nfs/dbraw/zinc/33/20/21/532332021.db2.gz TZFLSHFYARRUOO-QGZVFWFLSA-N 2 2 386.323 2.405 20 0 GEADLP C[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000184324015 532332022 /nfs/dbraw/zinc/33/20/22/532332022.db2.gz TZFLSHFYARRUOO-QGZVFWFLSA-N 2 2 386.323 2.405 20 0 GEADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000647529355 532374159 /nfs/dbraw/zinc/37/41/59/532374159.db2.gz MOTQXMCKMAQGGD-UONOGXRCSA-N 2 2 377.312 2.170 20 0 GEADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000647529355 532374170 /nfs/dbraw/zinc/37/41/70/532374170.db2.gz MOTQXMCKMAQGGD-UONOGXRCSA-N 2 2 377.312 2.170 20 0 GEADLP C[C@H](C[S@](C)=O)[N@H+](C)Cc1ccc(F)c(C[NH+](C)[C@@H](C)C[S@](C)=O)c1 ZINC000295065836 532401110 /nfs/dbraw/zinc/40/11/10/532401110.db2.gz VVANYMPARIFXMM-NOWWKWFESA-N 2 2 390.590 2.223 20 0 GEADLP C[C@H](C[S@](C)=O)[N@@H+](C)Cc1ccc(F)c(C[NH+](C)[C@@H](C)C[S@](C)=O)c1 ZINC000295065836 532401113 /nfs/dbraw/zinc/40/11/13/532401113.db2.gz VVANYMPARIFXMM-NOWWKWFESA-N 2 2 390.590 2.223 20 0 GEADLP C[C@H](C[S@](C)=O)[NH+](C)Cc1ccc(F)c(C[N@H+](C)[C@@H](C)C[S@](C)=O)c1 ZINC000295065836 532401117 /nfs/dbraw/zinc/40/11/17/532401117.db2.gz VVANYMPARIFXMM-NOWWKWFESA-N 2 2 390.590 2.223 20 0 GEADLP C[C@H](C[S@](C)=O)[NH+](C)Cc1ccc(F)c(C[N@@H+](C)[C@@H](C)C[S@](C)=O)c1 ZINC000295065836 532401124 /nfs/dbraw/zinc/40/11/24/532401124.db2.gz VVANYMPARIFXMM-NOWWKWFESA-N 2 2 390.590 2.223 20 0 GEADLP C[C@H](C[S@](C)=O)[N@H+](C)Cc1ccc(F)c(C[NH+](C)[C@@H](C)C[S@@](C)=O)c1 ZINC000295065837 532401525 /nfs/dbraw/zinc/40/15/25/532401525.db2.gz VVANYMPARIFXMM-SAYVRNILSA-N 2 2 390.590 2.223 20 0 GEADLP C[C@H](C[S@](C)=O)[N@@H+](C)Cc1ccc(F)c(C[NH+](C)[C@@H](C)C[S@@](C)=O)c1 ZINC000295065837 532401534 /nfs/dbraw/zinc/40/15/34/532401534.db2.gz VVANYMPARIFXMM-SAYVRNILSA-N 2 2 390.590 2.223 20 0 GEADLP C[C@H](C[S@](C)=O)[NH+](C)Cc1ccc(F)c(C[N@H+](C)[C@@H](C)C[S@@](C)=O)c1 ZINC000295065837 532401541 /nfs/dbraw/zinc/40/15/41/532401541.db2.gz VVANYMPARIFXMM-SAYVRNILSA-N 2 2 390.590 2.223 20 0 GEADLP C[C@H](C[S@](C)=O)[NH+](C)Cc1ccc(F)c(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)c1 ZINC000295065837 532401547 /nfs/dbraw/zinc/40/15/47/532401547.db2.gz VVANYMPARIFXMM-SAYVRNILSA-N 2 2 390.590 2.223 20 0 GEADLP C[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccc(Br)cn1 ZINC000280043253 532406588 /nfs/dbraw/zinc/40/65/88/532406588.db2.gz WXQZANXKBVZXFD-CYBMUJFWSA-N 2 2 398.349 2.230 20 0 GEADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccncc2Br)nc[nH+]1 ZINC000625138693 532412372 /nfs/dbraw/zinc/41/23/72/532412372.db2.gz CFSBVXBTFUSYGQ-CYBMUJFWSA-N 2 2 377.290 2.434 20 0 GEADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428039644 532440933 /nfs/dbraw/zinc/44/09/33/532440933.db2.gz SNDWKPBOHKJWOG-UNEWFSDZSA-N 2 2 380.330 2.480 20 0 GEADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428039644 532440943 /nfs/dbraw/zinc/44/09/43/532440943.db2.gz SNDWKPBOHKJWOG-UNEWFSDZSA-N 2 2 380.330 2.480 20 0 GEADLP CN(C(=O)c1ncc(Br)s1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683408161 532457725 /nfs/dbraw/zinc/45/77/25/532457725.db2.gz LGFGULWILWHYTM-LBPRGKRZSA-N 2 2 387.347 2.146 20 0 GEADLP CN(C(=O)c1ncc(Br)s1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683408161 532457733 /nfs/dbraw/zinc/45/77/33/532457733.db2.gz LGFGULWILWHYTM-LBPRGKRZSA-N 2 2 387.347 2.146 20 0 GEADLP CCO[C@@H]1C[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C[C@H]1C[NH3+] ZINC000650714476 532453219 /nfs/dbraw/zinc/45/32/19/532453219.db2.gz HWFFRBFCZSUSRG-CRAIPNDOSA-N 2 2 398.345 2.081 20 0 GEADLP CCO[C@@H]1C[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C[C@H]1C[NH3+] ZINC000650714476 532453224 /nfs/dbraw/zinc/45/32/24/532453224.db2.gz HWFFRBFCZSUSRG-CRAIPNDOSA-N 2 2 398.345 2.081 20 0 GEADLP CC[N@H+](C)C[C@H](O)CN(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000519177299 532458244 /nfs/dbraw/zinc/45/82/44/532458244.db2.gz ZXAGLWFVYQSYTE-AWEZNQCLSA-N 2 2 385.306 2.053 20 0 GEADLP CC[N@@H+](C)C[C@H](O)CN(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000519177299 532458249 /nfs/dbraw/zinc/45/82/49/532458249.db2.gz ZXAGLWFVYQSYTE-AWEZNQCLSA-N 2 2 385.306 2.053 20 0 GEADLP CC[C@@H](Cc1ccccc1Br)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000519590468 532471356 /nfs/dbraw/zinc/47/13/56/532471356.db2.gz JSILVCIHMPSFNE-GJZGRUSLSA-N 2 2 383.334 2.055 20 0 GEADLP CC[C@@H](Cc1ccccc1Br)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000519590468 532471363 /nfs/dbraw/zinc/47/13/63/532471363.db2.gz JSILVCIHMPSFNE-GJZGRUSLSA-N 2 2 383.334 2.055 20 0 GEADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000519608348 532471452 /nfs/dbraw/zinc/47/14/52/532471452.db2.gz NFQSWQFIVWRAIM-CABCVRRESA-N 2 2 377.312 2.170 20 0 GEADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000519608348 532471455 /nfs/dbraw/zinc/47/14/55/532471455.db2.gz NFQSWQFIVWRAIM-CABCVRRESA-N 2 2 377.312 2.170 20 0 GEADLP COCC[NH+]1CCC([NH2+][C@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000430134878 532491458 /nfs/dbraw/zinc/49/14/58/532491458.db2.gz DPQHNUTVAZZUEY-MRXNPFEDSA-N 2 2 375.282 2.322 20 0 GEADLP Cc1nn(C)c(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)c1Br ZINC000373840761 532473817 /nfs/dbraw/zinc/47/38/17/532473817.db2.gz GAIFVPBWBCVWLX-AEGPPILISA-N 2 2 385.350 2.470 20 0 GEADLP Cc1nn(C)c(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)c1Br ZINC000373840761 532473819 /nfs/dbraw/zinc/47/38/19/532473819.db2.gz GAIFVPBWBCVWLX-AEGPPILISA-N 2 2 385.350 2.470 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)NCCC3(C[NH3+])CC3)[nH+]c12 ZINC000652178038 532506079 /nfs/dbraw/zinc/50/60/79/532506079.db2.gz BSRUAHVVIFKUMA-UHFFFAOYSA-N 2 2 394.317 2.376 20 0 GEADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2cc(Br)ccc2F)CC1 ZINC000374774578 532517340 /nfs/dbraw/zinc/51/73/40/532517340.db2.gz BBPNOYUJMKFOPC-UHFFFAOYSA-N 2 2 387.293 2.247 20 0 GEADLP C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430631885 532501648 /nfs/dbraw/zinc/50/16/48/532501648.db2.gz VZLDQQPBMWERFS-RYUDHWBXSA-N 2 2 387.311 2.107 20 0 GEADLP C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430631885 532501653 /nfs/dbraw/zinc/50/16/53/532501653.db2.gz VZLDQQPBMWERFS-RYUDHWBXSA-N 2 2 387.311 2.107 20 0 GEADLP CN(CCC[N@H+](C)Cc1cc2c(cc1Br)OCO2)CC[NH+](C)C ZINC000522030377 532522517 /nfs/dbraw/zinc/52/25/17/532522517.db2.gz HEFXPSMOGQKOAG-UHFFFAOYSA-N 2 2 386.334 2.493 20 0 GEADLP CN(CCC[N@@H+](C)Cc1cc2c(cc1Br)OCO2)CC[NH+](C)C ZINC000522030377 532522522 /nfs/dbraw/zinc/52/25/22/532522522.db2.gz HEFXPSMOGQKOAG-UHFFFAOYSA-N 2 2 386.334 2.493 20 0 GEADLP CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653058928 532529223 /nfs/dbraw/zinc/52/92/23/532529223.db2.gz MJWNIEDOFMJZFA-AWEZNQCLSA-N 2 2 389.327 2.450 20 0 GEADLP O=C1C[C@H]([NH2+]Cc2ccc(F)c(Cl)c2Cl)CN1CC[NH+]1CCOCC1 ZINC000432233517 532530894 /nfs/dbraw/zinc/53/08/94/532530894.db2.gz RUHJRUPXIXNVHF-ZDUSSCGKSA-N 2 2 390.286 2.155 20 0 GEADLP O=C1C[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2Cl)CN1CC[NH+]1CCOCC1 ZINC000432233516 532531607 /nfs/dbraw/zinc/53/16/07/532531607.db2.gz RUHJRUPXIXNVHF-CYBMUJFWSA-N 2 2 390.286 2.155 20 0 GEADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCc2cc(Br)ccc2F)C[C@H](C)O1 ZINC000564846194 532533683 /nfs/dbraw/zinc/53/36/83/532533683.db2.gz IJCGSLROQXFPNT-DVOMOZLQSA-N 2 2 389.309 2.190 20 0 GEADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCc2cc(Br)ccc2F)C[C@H](C)O1 ZINC000564846194 532533691 /nfs/dbraw/zinc/53/36/91/532533691.db2.gz IJCGSLROQXFPNT-DVOMOZLQSA-N 2 2 389.309 2.190 20 0 GEADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000565547449 532569838 /nfs/dbraw/zinc/56/98/38/532569838.db2.gz BOHSBWAGIYMOFO-UHFFFAOYSA-N 2 2 382.295 2.497 20 0 GEADLP CN(C(=O)c1scnc1C(F)(F)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654773565 532567594 /nfs/dbraw/zinc/56/75/94/532567594.db2.gz BJKSUPLFPYMBLB-LBPRGKRZSA-N 2 2 376.448 2.402 20 0 GEADLP CN(C(=O)c1scnc1C(F)(F)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654773565 532567600 /nfs/dbraw/zinc/56/76/00/532567600.db2.gz BJKSUPLFPYMBLB-LBPRGKRZSA-N 2 2 376.448 2.402 20 0 GEADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000472759484 532582267 /nfs/dbraw/zinc/58/22/67/532582267.db2.gz ZPKOWFOTYCVQSW-CQSZACIVSA-N 2 2 385.496 2.149 20 0 GEADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000472759484 532582269 /nfs/dbraw/zinc/58/22/69/532582269.db2.gz ZPKOWFOTYCVQSW-CQSZACIVSA-N 2 2 385.496 2.149 20 0 GEADLP Cc1nc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(Br)c(C)[nH+]1 ZINC000596158544 532589826 /nfs/dbraw/zinc/58/98/26/532589826.db2.gz YMXQBYYVKMANHU-HNNXBMFYSA-N 2 2 382.350 2.461 20 0 GEADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000262423250 532593777 /nfs/dbraw/zinc/59/37/77/532593777.db2.gz FFMTXFCTFBWNKI-SNVBAGLBSA-N 2 2 376.245 2.014 20 0 GEADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000262423250 532593780 /nfs/dbraw/zinc/59/37/80/532593780.db2.gz FFMTXFCTFBWNKI-SNVBAGLBSA-N 2 2 376.245 2.014 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(O)cc(Br)c1 ZINC000528560836 532573093 /nfs/dbraw/zinc/57/30/93/532573093.db2.gz MANZQOHMNAPMTC-UHFFFAOYSA-N 2 2 384.318 2.253 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(O)cc(Br)c1 ZINC000528560836 532573099 /nfs/dbraw/zinc/57/30/99/532573099.db2.gz MANZQOHMNAPMTC-UHFFFAOYSA-N 2 2 384.318 2.253 20 0 GEADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2ccc(Br)c(Cl)c2)C1 ZINC000261946220 532579352 /nfs/dbraw/zinc/57/93/52/532579352.db2.gz NIYPIZZLIQIPJC-ZDUSSCGKSA-N 2 2 386.721 2.499 20 0 GEADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2ccc(Br)c(Cl)c2)C1 ZINC000261946220 532579359 /nfs/dbraw/zinc/57/93/59/532579359.db2.gz NIYPIZZLIQIPJC-ZDUSSCGKSA-N 2 2 386.721 2.499 20 0 GEADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2ccc(Br)c(Cl)c2)C1 ZINC000261946219 532579434 /nfs/dbraw/zinc/57/94/34/532579434.db2.gz NIYPIZZLIQIPJC-CYBMUJFWSA-N 2 2 386.721 2.499 20 0 GEADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2ccc(Br)c(Cl)c2)C1 ZINC000261946219 532579439 /nfs/dbraw/zinc/57/94/39/532579439.db2.gz NIYPIZZLIQIPJC-CYBMUJFWSA-N 2 2 386.721 2.499 20 0 GEADLP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cncc(Br)c1 ZINC000566500281 532614743 /nfs/dbraw/zinc/61/47/43/532614743.db2.gz KSKVJIAZOMFFJO-CYBMUJFWSA-N 2 2 383.334 2.437 20 0 GEADLP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccc(Cl)cc1 ZINC000655914309 532602723 /nfs/dbraw/zinc/60/27/23/532602723.db2.gz XMWKKZFVLXJVAI-RYUDHWBXSA-N 2 2 375.782 2.352 20 0 GEADLP COC(=O)[C@@]1([NH2+]CCc2c[nH+]cn2C)CCc2cc(Br)ccc2C1 ZINC000599594310 532667477 /nfs/dbraw/zinc/66/74/77/532667477.db2.gz OBNVAGLXGNCYPQ-GOSISDBHSA-N 2 2 392.297 2.415 20 0 GEADLP O=C(CC[NH2+]C[C@@H]1CCC[N@H+]1CCCO)Nc1cccc(Br)c1 ZINC000567873189 532669119 /nfs/dbraw/zinc/66/91/19/532669119.db2.gz PLINIRYPQQUWLP-INIZCTEOSA-N 2 2 384.318 2.214 20 0 GEADLP O=C(CC[NH2+]C[C@@H]1CCC[N@@H+]1CCCO)Nc1cccc(Br)c1 ZINC000567873189 532669120 /nfs/dbraw/zinc/66/91/20/532669120.db2.gz PLINIRYPQQUWLP-INIZCTEOSA-N 2 2 384.318 2.214 20 0 GEADLP C[C@H]1CN(C(=O)c2cc(Br)cn2C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378368535 532692027 /nfs/dbraw/zinc/69/20/27/532692027.db2.gz VNNAIXIPOHKWNU-ZDUSSCGKSA-N 2 2 383.334 2.028 20 0 GEADLP C[C@H]1CN(C(=O)c2cc(Br)cn2C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378368535 532692033 /nfs/dbraw/zinc/69/20/33/532692033.db2.gz VNNAIXIPOHKWNU-ZDUSSCGKSA-N 2 2 383.334 2.028 20 0 GEADLP C[C@@H]1CN(C(=O)c2cc(Br)cn2C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378368534 532692582 /nfs/dbraw/zinc/69/25/82/532692582.db2.gz VNNAIXIPOHKWNU-CYBMUJFWSA-N 2 2 383.334 2.028 20 0 GEADLP C[C@@H]1CN(C(=O)c2cc(Br)cn2C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378368534 532692584 /nfs/dbraw/zinc/69/25/84/532692584.db2.gz VNNAIXIPOHKWNU-CYBMUJFWSA-N 2 2 383.334 2.028 20 0 GEADLP Cc1[nH+]cc(C[NH2+]CC(=O)Nc2ccc(I)cc2)n1C ZINC000574585430 532715083 /nfs/dbraw/zinc/71/50/83/532715083.db2.gz WGPVHVDVIPOBJF-UHFFFAOYSA-N 2 2 384.221 2.061 20 0 GEADLP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104364 532723091 /nfs/dbraw/zinc/72/30/91/532723091.db2.gz BATATHBZEYONNO-UHFFFAOYSA-N 2 2 396.329 2.493 20 0 GEADLP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104364 532723105 /nfs/dbraw/zinc/72/31/05/532723105.db2.gz BATATHBZEYONNO-UHFFFAOYSA-N 2 2 396.329 2.493 20 0 GEADLP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000578508145 532737515 /nfs/dbraw/zinc/73/75/15/532737515.db2.gz YYFPSMXKEQVBIX-AWEZNQCLSA-N 2 2 396.329 2.383 20 0 GEADLP Cc1cc(Br)ccc1NC(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000578508145 532737518 /nfs/dbraw/zinc/73/75/18/532737518.db2.gz YYFPSMXKEQVBIX-AWEZNQCLSA-N 2 2 396.329 2.383 20 0 GEADLP C[NH+](C)CCOCCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000541528735 532754686 /nfs/dbraw/zinc/75/46/86/532754686.db2.gz QHDOXKOZQBYXSJ-KRWDZBQOSA-N 2 2 398.345 2.280 20 0 GEADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268993198 532774521 /nfs/dbraw/zinc/77/45/21/532774521.db2.gz HKBQNRXIXCKGNN-UONOGXRCSA-N 2 2 376.469 2.302 20 0 GEADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(c3c(Cl)cccc3Cl)CC2)CC1 ZINC000514191807 532780760 /nfs/dbraw/zinc/78/07/60/532780760.db2.gz BVMJZKOASNQFGM-UHFFFAOYSA-N 2 2 385.339 2.280 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@@H](C)Cn3cc[nH+]c3)[nH+]c12 ZINC000273496312 532825330 /nfs/dbraw/zinc/82/53/30/532825330.db2.gz QSXYDZLLVXOHAR-LBPRGKRZSA-N 2 2 391.273 2.490 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)NC[C@H]3CCC[N@H+]3C)[nH+]c12 ZINC000273618784 532828461 /nfs/dbraw/zinc/82/84/61/532828461.db2.gz DGKMYEDXVPPQGZ-CQSZACIVSA-N 2 2 380.290 2.299 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)NC[C@H]3CCC[N@@H+]3C)[nH+]c12 ZINC000273618784 532828462 /nfs/dbraw/zinc/82/84/62/532828462.db2.gz DGKMYEDXVPPQGZ-CQSZACIVSA-N 2 2 380.290 2.299 20 0 GEADLP COc1cc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc(I)c1OC ZINC000414822302 532835617 /nfs/dbraw/zinc/83/56/17/532835617.db2.gz DOYZGGBFFYLWEO-NSHDSACASA-N 2 2 376.238 2.150 20 0 GEADLP COc1cc(Br)c(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1O ZINC000415131007 532838433 /nfs/dbraw/zinc/83/84/33/532838433.db2.gz RRAAJOUWOXQUPN-CYBMUJFWSA-N 2 2 396.289 2.051 20 0 GEADLP COc1cc(Br)c(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1O ZINC000415131007 532838436 /nfs/dbraw/zinc/83/84/36/532838436.db2.gz RRAAJOUWOXQUPN-CYBMUJFWSA-N 2 2 396.289 2.051 20 0 GEADLP O=C1N[C@@H]2C[N@H+](Cc3cccc(Br)c3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415137707 532838573 /nfs/dbraw/zinc/83/85/73/532838573.db2.gz JCPDIBPIXLLXJE-SJORKVTESA-N 2 2 393.329 2.169 20 0 GEADLP O=C1N[C@@H]2C[N@@H+](Cc3cccc(Br)c3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415137707 532838574 /nfs/dbraw/zinc/83/85/74/532838574.db2.gz JCPDIBPIXLLXJE-SJORKVTESA-N 2 2 393.329 2.169 20 0 GEADLP COc1cc(Br)c(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1O ZINC000289408130 532854023 /nfs/dbraw/zinc/85/40/23/532854023.db2.gz HMAHRDAHVSNMAV-UHFFFAOYSA-N 2 2 386.334 2.233 20 0 GEADLP COc1cc(Br)c(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1O ZINC000289408130 532854026 /nfs/dbraw/zinc/85/40/26/532854026.db2.gz HMAHRDAHVSNMAV-UHFFFAOYSA-N 2 2 386.334 2.233 20 0 GEADLP C[C@H]1CC2(C[N@@H+]1Cc1nnnn1-c1ccccc1Br)CC[NH2+]CC2 ZINC000333575172 532871087 /nfs/dbraw/zinc/87/10/87/532871087.db2.gz MZCHIUXBMPFPON-ZDUSSCGKSA-N 2 2 391.317 2.389 20 0 GEADLP C[C@H]1CC2(C[N@H+]1Cc1nnnn1-c1ccccc1Br)CC[NH2+]CC2 ZINC000333575172 532871090 /nfs/dbraw/zinc/87/10/90/532871090.db2.gz MZCHIUXBMPFPON-ZDUSSCGKSA-N 2 2 391.317 2.389 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)[nH+]c12 ZINC000333842616 532874167 /nfs/dbraw/zinc/87/41/67/532874167.db2.gz VLQIJWGUSXRPRP-DOMZBBRYSA-N 2 2 392.301 2.299 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)[nH+]c12 ZINC000333855132 532874293 /nfs/dbraw/zinc/87/42/93/532874293.db2.gz YCCAOILMTBKNLG-CQDKDKBSSA-N 2 2 392.301 2.284 20 0 GEADLP Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(Br)n1 ZINC000366852113 532921540 /nfs/dbraw/zinc/92/15/40/532921540.db2.gz GRHMQNRMHCEHCN-ZDUSSCGKSA-N 2 2 381.318 2.051 20 0 GEADLP Cc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(Br)n1 ZINC000366852113 532921541 /nfs/dbraw/zinc/92/15/41/532921541.db2.gz GRHMQNRMHCEHCN-ZDUSSCGKSA-N 2 2 381.318 2.051 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(Br)c(F)c3)C2)CC1 ZINC000369272145 532937735 /nfs/dbraw/zinc/93/77/35/532937735.db2.gz AFQMNDWWSHRFBO-ZDUSSCGKSA-N 2 2 384.293 2.487 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(Br)c(F)c3)C2)CC1 ZINC000369272145 532937736 /nfs/dbraw/zinc/93/77/36/532937736.db2.gz AFQMNDWWSHRFBO-ZDUSSCGKSA-N 2 2 384.293 2.487 20 0 GEADLP C[NH+]1CCN(C[C@H]2CCC[N@H+](C[C@@H](O)c3cccc(Br)c3)C2)CC1 ZINC000371421922 532947971 /nfs/dbraw/zinc/94/79/71/532947971.db2.gz BOAHULIEIXOFHH-VQIMIIECSA-N 2 2 396.373 2.442 20 0 GEADLP C[NH+]1CCN(C[C@H]2CCC[N@@H+](C[C@@H](O)c3cccc(Br)c3)C2)CC1 ZINC000371421922 532947972 /nfs/dbraw/zinc/94/79/72/532947972.db2.gz BOAHULIEIXOFHH-VQIMIIECSA-N 2 2 396.373 2.442 20 0 GEADLP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000736453899 598898521 /nfs/dbraw/zinc/89/85/21/598898521.db2.gz SAKJBQCVQRKGDJ-UHFFFAOYSA-N 2 2 391.545 2.311 20 0 GEADLP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000736453899 598898522 /nfs/dbraw/zinc/89/85/22/598898522.db2.gz SAKJBQCVQRKGDJ-UHFFFAOYSA-N 2 2 391.545 2.311 20 0 GEADLP Cc1cccc2c(NCCC[NH+]3C[C@@H](C)O[C@H](C)C3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737410398 599122586 /nfs/dbraw/zinc/12/25/86/599122586.db2.gz SMLAMODONNCDQV-HUUCEWRRSA-N 2 2 381.484 2.056 20 0 GEADLP FC(F)Oc1ccc2[nH+]cc(-c3nn[nH]n3)c(N3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000737639320 598674262 /nfs/dbraw/zinc/67/42/62/598674262.db2.gz QYDYGPMGHHJEMD-NSHDSACASA-N 2 2 387.394 2.301 20 0 GEADLP FC(F)Oc1ccc2[nH+]cc(-c3nn[nH]n3)c(N3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000737639320 598674264 /nfs/dbraw/zinc/67/42/64/598674264.db2.gz QYDYGPMGHHJEMD-NSHDSACASA-N 2 2 387.394 2.301 20 0 GEADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3nnc(-c4ccc(-c5nn[nH]n5)cc4)o3)C2)[nH]1 ZINC000823737703 606622973 /nfs/dbraw/zinc/62/29/73/606622973.db2.gz IREMRZSOQILRFU-CQSZACIVSA-N 2 2 377.412 2.019 20 0 GEADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3nnc(-c4ccc(-c5nn[nH]n5)cc4)o3)C2)[nH]1 ZINC000823737703 606622974 /nfs/dbraw/zinc/62/29/74/606622974.db2.gz IREMRZSOQILRFU-CQSZACIVSA-N 2 2 377.412 2.019 20 0 GEADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000822478897 606632382 /nfs/dbraw/zinc/63/23/82/606632382.db2.gz VRXSPQXRRJAVSX-SFHVURJKSA-N 2 2 389.467 2.357 20 0 GEADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000822478897 606632384 /nfs/dbraw/zinc/63/23/84/606632384.db2.gz VRXSPQXRRJAVSX-SFHVURJKSA-N 2 2 389.467 2.357 20 0 GEADLP C[N@@H+]1CCC[C@H]2C[NH+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)CC[C@H]21 ZINC000821625375 607002322 /nfs/dbraw/zinc/00/23/22/607002322.db2.gz MCNWXGNPDBJPLA-PKOBYXMFSA-N 2 2 378.484 2.104 20 0 GEADLP C[N@H+]1CCC[C@H]2C[NH+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)CC[C@H]21 ZINC000821625375 607002324 /nfs/dbraw/zinc/00/23/24/607002324.db2.gz MCNWXGNPDBJPLA-PKOBYXMFSA-N 2 2 378.484 2.104 20 0 GEADLP C[NH+]1CCC[C@H]2C[N@H+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)CC[C@H]21 ZINC000821625375 607002326 /nfs/dbraw/zinc/00/23/26/607002326.db2.gz MCNWXGNPDBJPLA-PKOBYXMFSA-N 2 2 378.484 2.104 20 0 GEADLP C[NH+]1CCC[C@H]2C[N@@H+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)CC[C@H]21 ZINC000821625375 607002328 /nfs/dbraw/zinc/00/23/28/607002328.db2.gz MCNWXGNPDBJPLA-PKOBYXMFSA-N 2 2 378.484 2.104 20 0 GEADLP Cc1cccc2c(NCCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822335209 607174000 /nfs/dbraw/zinc/17/40/00/607174000.db2.gz JAHWYXUYEUSZRB-IYBDPMFKSA-N 2 2 395.511 2.447 20 0 GEADLP Cc1cccc2c(NCCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822335209 607174001 /nfs/dbraw/zinc/17/40/01/607174001.db2.gz JAHWYXUYEUSZRB-IYBDPMFKSA-N 2 2 395.511 2.447 20 0 GEADLP C[N@@H+]1CCC[C@H](CNc2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000826028525 608379025 /nfs/dbraw/zinc/37/90/25/608379025.db2.gz BRQIEDFXAUVKDP-LLVKDONJSA-N 2 2 389.410 2.192 20 0 GEADLP C[N@H+]1CCC[C@H](CNc2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000826028525 608379027 /nfs/dbraw/zinc/37/90/27/608379027.db2.gz BRQIEDFXAUVKDP-LLVKDONJSA-N 2 2 389.410 2.192 20 0 GEADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)CC1 ZINC000824953522 608639301 /nfs/dbraw/zinc/63/93/01/608639301.db2.gz FDGCTFVZCLYIJS-QGZVFWFLSA-N 2 2 394.527 2.458 20 0 GEADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)CC1 ZINC000824953522 608639303 /nfs/dbraw/zinc/63/93/03/608639303.db2.gz FDGCTFVZCLYIJS-QGZVFWFLSA-N 2 2 394.527 2.458 20 0 GEADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000825754814 608690186 /nfs/dbraw/zinc/69/01/86/608690186.db2.gz IAYIYHRNUKRNGN-HNNXBMFYSA-N 2 2 377.456 2.110 20 0 GEADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000825754814 608690187 /nfs/dbraw/zinc/69/01/87/608690187.db2.gz IAYIYHRNUKRNGN-HNNXBMFYSA-N 2 2 377.456 2.110 20 0 GEADLP CC[C@H](Cc1ccccc1Br)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000481849205 650654486 /nfs/dbraw/zinc/65/44/86/650654486.db2.gz VJXXMFZOHVVVJN-MRXNPFEDSA-N 2 2 382.346 2.476 20 0 GEADLP CC[C@H](Cc1ccccc1Br)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000481849205 650654491 /nfs/dbraw/zinc/65/44/91/650654491.db2.gz VJXXMFZOHVVVJN-MRXNPFEDSA-N 2 2 382.346 2.476 20 0 GEADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(=O)n4cc(Br)ccc4n3)CC[C@H]21 ZINC000532649691 650751987 /nfs/dbraw/zinc/75/19/87/650751987.db2.gz CCBKBFDDFUJFND-XJKSGUPXSA-N 2 2 391.313 2.373 20 0 GEADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(=O)n4cc(Br)ccc4n3)CC[C@H]21 ZINC000532649691 650751981 /nfs/dbraw/zinc/75/19/81/650751981.db2.gz CCBKBFDDFUJFND-XJKSGUPXSA-N 2 2 391.313 2.373 20 0 GEADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(=O)n4cc(Br)ccc4n3)CC[C@H]21 ZINC000532649691 650751983 /nfs/dbraw/zinc/75/19/83/650751983.db2.gz CCBKBFDDFUJFND-XJKSGUPXSA-N 2 2 391.313 2.373 20 0 GEADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(=O)n4cc(Br)ccc4n3)CC[C@H]21 ZINC000532649691 650751985 /nfs/dbraw/zinc/75/19/85/650751985.db2.gz CCBKBFDDFUJFND-XJKSGUPXSA-N 2 2 391.313 2.373 20 0 GEADLP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCCn1cc[nH+]c1 ZINC000056555855 642795678 /nfs/dbraw/zinc/79/56/78/642795678.db2.gz BJYDKQCVPRAIIS-UHFFFAOYSA-N 2 2 394.317 2.419 20 0 GEADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)Nc3ccc(Br)cc3)C2)CC1 ZINC000118834443 643523809 /nfs/dbraw/zinc/52/38/09/643523809.db2.gz VQIQGILDLKGLDU-QGZVFWFLSA-N 2 2 395.345 2.099 20 0 GEADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(Br)cc3)C2)CC1 ZINC000118834443 643523813 /nfs/dbraw/zinc/52/38/13/643523813.db2.gz VQIQGILDLKGLDU-QGZVFWFLSA-N 2 2 395.345 2.099 20 0 GEADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)Nc3ccc(Br)cc3)C2)CC1 ZINC000118834445 643524147 /nfs/dbraw/zinc/52/41/47/643524147.db2.gz VQIQGILDLKGLDU-KRWDZBQOSA-N 2 2 395.345 2.099 20 0 GEADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)Nc3ccc(Br)cc3)C2)CC1 ZINC000118834445 643524150 /nfs/dbraw/zinc/52/41/50/643524150.db2.gz VQIQGILDLKGLDU-KRWDZBQOSA-N 2 2 395.345 2.099 20 0 GEADLP CCOCCOc1ccc(Br)cc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000545148917 650962795 /nfs/dbraw/zinc/96/27/95/650962795.db2.gz WJUPTTDIOYJIKK-QGZVFWFLSA-N 2 2 387.318 2.021 20 0 GEADLP CCOCCOc1ccc(Br)cc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000545148917 650962797 /nfs/dbraw/zinc/96/27/97/650962797.db2.gz WJUPTTDIOYJIKK-QGZVFWFLSA-N 2 2 387.318 2.021 20 0 GEADLP Cn1ncc(Br)c1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000278820375 646553090 /nfs/dbraw/zinc/55/30/90/646553090.db2.gz TXHCCGQLABMETF-MRXNPFEDSA-N 2 2 393.329 2.429 20 0 GEADLP Cn1ncc(Br)c1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000278820375 646553094 /nfs/dbraw/zinc/55/30/94/646553094.db2.gz TXHCCGQLABMETF-MRXNPFEDSA-N 2 2 393.329 2.429 20 0 GEADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280756387 646713260 /nfs/dbraw/zinc/71/32/60/646713260.db2.gz QGTUPERQPVBDLX-WDEREUQCSA-N 2 2 387.303 2.032 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H](O)c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000367051889 647716035 /nfs/dbraw/zinc/71/60/35/647716035.db2.gz FQRRWOCJSZCTTF-DOTOQJQBSA-N 2 2 386.323 2.312 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H](O)c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000367051889 647716043 /nfs/dbraw/zinc/71/60/43/647716043.db2.gz FQRRWOCJSZCTTF-DOTOQJQBSA-N 2 2 386.323 2.312 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)[nH+]c12 ZINC000418026591 648272237 /nfs/dbraw/zinc/27/22/37/648272237.db2.gz WFSAQQJXOULTJU-IUODEOHRSA-N 2 2 394.317 2.326 20 0 GEADLP O[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)COc1cccc(Cl)c1Cl ZINC000422903712 648576247 /nfs/dbraw/zinc/57/62/47/648576247.db2.gz OXINYEISNFNOCD-PVUWLOKVSA-N 2 2 375.296 2.090 20 0 GEADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000423170271 648586779 /nfs/dbraw/zinc/58/67/79/648586779.db2.gz LMNPZGIAWXLIBF-IFIJOSMWSA-N 2 2 389.309 2.096 20 0 GEADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(F)c(I)c1 ZINC000423490039 648592951 /nfs/dbraw/zinc/59/29/51/648592951.db2.gz HHWNMISYPNPMLY-PWSUYJOCSA-N 2 2 378.229 2.459 20 0 GEADLP O[C@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)COc1cc(F)cc(Br)c1 ZINC000563705165 651538598 /nfs/dbraw/zinc/53/85/98/651538598.db2.gz DRBOADAWWHSZCL-QWHCGFSZSA-N 2 2 384.249 2.198 20 0 GEADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCOc2ccc(Br)cc2)CC1 ZINC000612122146 651745847 /nfs/dbraw/zinc/74/58/47/651745847.db2.gz LWGFXYHVECAAHW-OAHLLOKOSA-N 2 2 398.345 2.312 20 0 GEADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCOc2ccc(Br)cc2)CC1 ZINC000612122146 651745853 /nfs/dbraw/zinc/74/58/53/651745853.db2.gz LWGFXYHVECAAHW-OAHLLOKOSA-N 2 2 398.345 2.312 20 0 GEADLP CN(CCOc1ccc(Br)cc1)C(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000647926487 651765482 /nfs/dbraw/zinc/76/54/82/651765482.db2.gz DGYQPPDXSISWLQ-UHFFFAOYSA-N 2 2 384.318 2.100 20 0 GEADLP C[N@H+](C[C@H](O)C[NH2+]Cc1cc(Cl)cc(I)c1)C1CC1 ZINC000570921269 651800264 /nfs/dbraw/zinc/80/02/64/651800264.db2.gz UJUMTAZXHSIRRP-CQSZACIVSA-N 2 2 394.684 2.489 20 0 GEADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1cc(Cl)cc(I)c1)C1CC1 ZINC000570921269 651800265 /nfs/dbraw/zinc/80/02/65/651800265.db2.gz UJUMTAZXHSIRRP-CQSZACIVSA-N 2 2 394.684 2.489 20 0 GEADLP [NH3+]C[C@H]1CN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCCO1 ZINC000574276001 652012950 /nfs/dbraw/zinc/01/29/50/652012950.db2.gz AOJUSJKCICTKNE-IRXDYDNUSA-N 2 2 396.329 2.162 20 0 GEADLP Cc1nn(-c2ccc(Br)cc2)cc1CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000579837386 652356858 /nfs/dbraw/zinc/35/68/58/652356858.db2.gz ADNXLPCDWUEIRE-KRWDZBQOSA-N 2 2 378.318 2.018 20 0 GEADLP Cc1nn(-c2ccc(Br)cc2)cc1CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000579837386 652356861 /nfs/dbraw/zinc/35/68/61/652356861.db2.gz ADNXLPCDWUEIRE-KRWDZBQOSA-N 2 2 378.318 2.018 20 0 GEADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cncc(Br)c1 ZINC000580581565 652384794 /nfs/dbraw/zinc/38/47/94/652384794.db2.gz JOFDSLCXRCILKX-BBRMVZONSA-N 2 2 383.334 2.437 20 0 GEADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cncc(Br)c1 ZINC000580581565 652384796 /nfs/dbraw/zinc/38/47/96/652384796.db2.gz JOFDSLCXRCILKX-BBRMVZONSA-N 2 2 383.334 2.437 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N(C)CC3C[NH+](C)C3)[nH+]c12 ZINC000661018894 652417138 /nfs/dbraw/zinc/41/71/38/652417138.db2.gz XMHXURAPEPYBQG-UHFFFAOYSA-N 2 2 394.317 2.151 20 0 GEADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000582308979 652444831 /nfs/dbraw/zinc/44/48/31/652444831.db2.gz FOOXVAGQIBJDCK-WFASDCNBSA-N 2 2 380.286 2.012 20 0 GEADLP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000582308979 652444833 /nfs/dbraw/zinc/44/48/33/652444833.db2.gz FOOXVAGQIBJDCK-WFASDCNBSA-N 2 2 380.286 2.012 20 0 GEADLP O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662160144 652450020 /nfs/dbraw/zinc/45/00/20/652450020.db2.gz MTOLYYXSRGEQGJ-CABCVRRESA-N 2 2 389.323 2.264 20 0 GEADLP O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662160144 652450022 /nfs/dbraw/zinc/45/00/22/652450022.db2.gz MTOLYYXSRGEQGJ-CABCVRRESA-N 2 2 389.323 2.264 20 0 GEADLP O[C@@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662160152 652450080 /nfs/dbraw/zinc/45/00/80/652450080.db2.gz MTOLYYXSRGEQGJ-LSDHHAIUSA-N 2 2 389.323 2.264 20 0 GEADLP O[C@@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662160152 652450082 /nfs/dbraw/zinc/45/00/82/652450082.db2.gz MTOLYYXSRGEQGJ-LSDHHAIUSA-N 2 2 389.323 2.264 20 0 GEADLP O=C(c1ccc(Cl)cc1Cl)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662248530 652454370 /nfs/dbraw/zinc/45/43/70/652454370.db2.gz FFTQCGVEPITISI-AWEZNQCLSA-N 2 2 384.307 2.272 20 0 GEADLP O=C(Nc1ccc(Br)cc1)C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662258910 652454746 /nfs/dbraw/zinc/45/47/46/652454746.db2.gz YDYCBHIGVHMNBG-INIZCTEOSA-N 2 2 382.302 2.088 20 0 GEADLP O=C(Nc1cccc(Br)c1)C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662256126 652454870 /nfs/dbraw/zinc/45/48/70/652454870.db2.gz GQWSXEBROABLMV-INIZCTEOSA-N 2 2 382.302 2.088 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1cc(Br)cs1 ZINC000663704949 652509379 /nfs/dbraw/zinc/50/93/79/652509379.db2.gz QUYIESOFLOXZKU-UHFFFAOYSA-N 2 2 377.352 2.193 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1cc(Br)cs1 ZINC000663704949 652509382 /nfs/dbraw/zinc/50/93/82/652509382.db2.gz QUYIESOFLOXZKU-UHFFFAOYSA-N 2 2 377.352 2.193 20 0 GEADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C[C@@](C)(O)C[NH2+]C)CC1 ZINC000584474642 652522352 /nfs/dbraw/zinc/52/23/52/652522352.db2.gz BPBWCLDCFQWYSH-ROUUACIJSA-N 2 2 384.362 2.488 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)Nc3cscc3Cl)CC2)CC1 ZINC000635044136 652685753 /nfs/dbraw/zinc/68/57/53/652685753.db2.gz VIFJEABTBXUPNO-UHFFFAOYSA-N 2 2 384.933 2.015 20 0 GEADLP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(CC[NH+]3CCOCC3)C1)CC2 ZINC000669847325 652722639 /nfs/dbraw/zinc/72/26/39/652722639.db2.gz LBNHEBCHRPQAHQ-IEBWSBKVSA-N 2 2 394.357 2.433 20 0 GEADLP C[NH+](C)CCCNC(=S)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000765514703 652842383 /nfs/dbraw/zinc/84/23/83/652842383.db2.gz DOVROZQKFFTKRC-SJORKVTESA-N 2 2 384.977 2.128 20 0 GEADLP C[NH+](C)CCCNC(=S)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000765514703 652842384 /nfs/dbraw/zinc/84/23/84/652842384.db2.gz DOVROZQKFFTKRC-SJORKVTESA-N 2 2 384.977 2.128 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601325259 653086703 /nfs/dbraw/zinc/08/67/03/653086703.db2.gz BFTKRSQESRWXKK-VXGBXAGGSA-N 2 2 387.265 2.065 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601325259 653086705 /nfs/dbraw/zinc/08/67/05/653086705.db2.gz BFTKRSQESRWXKK-VXGBXAGGSA-N 2 2 387.265 2.065 20 0 GEADLP Oc1ccc(Br)c(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000641787516 653233853 /nfs/dbraw/zinc/23/38/53/653233853.db2.gz CGZAFLBKYZOTEB-INIZCTEOSA-N 2 2 398.345 2.041 20 0 GEADLP Brc1ccccc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641789326 653234368 /nfs/dbraw/zinc/23/43/68/653234368.db2.gz BIKSSZBLLMKBHS-QGZVFWFLSA-N 2 2 382.346 2.335 20 0 GEADLP CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000809786198 653295534 /nfs/dbraw/zinc/29/55/34/653295534.db2.gz SWAMCESLLVXDSB-AWEZNQCLSA-N 2 2 388.603 2.087 20 0 GEADLP CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000809786198 653295544 /nfs/dbraw/zinc/29/55/44/653295544.db2.gz SWAMCESLLVXDSB-AWEZNQCLSA-N 2 2 388.603 2.087 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000836279781 653342779 /nfs/dbraw/zinc/34/27/79/653342779.db2.gz WGIMBEIYKWYVMS-INIZCTEOSA-N 2 2 377.360 2.428 20 0 GEADLP ClC1(Cl)C[C@@H]1C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000877009816 653459890 /nfs/dbraw/zinc/45/98/90/653459890.db2.gz BDHNWANOVSAURK-KGLIPLIRSA-N 2 2 386.327 2.065 20 0 GEADLP Clc1ccc2sc(C[NH2+][C@@H]3CCN(CC[NH+]4CCOCC4)C3)cc2n1 ZINC000877031036 653461952 /nfs/dbraw/zinc/46/19/52/653461952.db2.gz LRLBBAKTHLDSBB-CQSZACIVSA-N 2 2 380.945 2.446 20 0 GEADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2cc(F)cc(Br)c2)CC1 ZINC000863549623 653715414 /nfs/dbraw/zinc/71/54/14/653715414.db2.gz NJDUMZAVQVNJFU-CVEARBPZSA-N 2 2 398.276 2.345 20 0 GEADLP C[NH+]1CCN(c2ccc(NC[C@@H](O)C[NH+]3CCCC3)cc2Br)CC1 ZINC000863558963 653715679 /nfs/dbraw/zinc/71/56/79/653715679.db2.gz CCICNFGZRUURKT-MRXNPFEDSA-N 2 2 397.361 2.070 20 0 GEADLP C[C@@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000817918219 653722661 /nfs/dbraw/zinc/72/26/61/653722661.db2.gz XCKPTIQQRCSFPQ-DOMZBBRYSA-N 2 2 380.432 2.479 20 0 GEADLP C[N@@H+]1CC[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)C1 ZINC000787669624 653741827 /nfs/dbraw/zinc/74/18/27/653741827.db2.gz ZVQUKYZXASYVAZ-CYBMUJFWSA-N 2 2 381.318 2.091 20 0 GEADLP C[N@H+]1CC[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)C1 ZINC000787669624 653741828 /nfs/dbraw/zinc/74/18/28/653741828.db2.gz ZVQUKYZXASYVAZ-CYBMUJFWSA-N 2 2 381.318 2.091 20 0 GEADLP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000842478779 653757632 /nfs/dbraw/zinc/75/76/32/653757632.db2.gz JXVBZZIKAWOEGF-QZTJIDSGSA-N 2 2 386.945 2.332 20 0 GEADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000843089307 653778930 /nfs/dbraw/zinc/77/89/30/653778930.db2.gz QFFPVCJSIGTNQH-BBRMVZONSA-N 2 2 375.282 2.058 20 0 GEADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000843089307 653778933 /nfs/dbraw/zinc/77/89/33/653778933.db2.gz QFFPVCJSIGTNQH-BBRMVZONSA-N 2 2 375.282 2.058 20 0 GEADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(n3cc(Br)cn3)CC2)CC1 ZINC000896912050 653899221 /nfs/dbraw/zinc/89/92/21/653899221.db2.gz PORZPLISPRMVJB-UHFFFAOYSA-N 2 2 399.333 2.142 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(Br)cnc1C1CC1 ZINC000824958351 653913509 /nfs/dbraw/zinc/91/35/09/653913509.db2.gz WJUSAQGWPJQAFU-UHFFFAOYSA-N 2 2 383.334 2.335 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(Br)cnc1C1CC1 ZINC000824958351 653913511 /nfs/dbraw/zinc/91/35/11/653913511.db2.gz WJUSAQGWPJQAFU-UHFFFAOYSA-N 2 2 383.334 2.335 20 0 GEADLP C[NH+](C)Cc1ccc(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)cc1Br ZINC000897516496 653925268 /nfs/dbraw/zinc/92/52/68/653925268.db2.gz HOFSHHYVMMISRW-HNNXBMFYSA-N 2 2 382.302 2.170 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@@H]([NH3+])C[C@H]3C)[nH+]c12 ZINC000891784455 654311660 /nfs/dbraw/zinc/31/16/60/654311660.db2.gz SVVCXEVGJAZWJL-YPMHNXCESA-N 2 2 380.290 2.079 20 0 GEADLP CC(C)n1cc(Br)c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000906661673 654457906 /nfs/dbraw/zinc/45/79/06/654457906.db2.gz SLDXYCSZGBTKDZ-ZDUSSCGKSA-N 2 2 398.349 2.125 20 0 GEADLP CC(C)n1cc(Br)c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000906661673 654457911 /nfs/dbraw/zinc/45/79/11/654457911.db2.gz SLDXYCSZGBTKDZ-ZDUSSCGKSA-N 2 2 398.349 2.125 20 0 GEADLP Cn1nc(Br)nc1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000894693186 654494823 /nfs/dbraw/zinc/49/48/23/654494823.db2.gz SOUPGDYYINQQFU-UHFFFAOYSA-N 2 2 394.317 2.340 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000856830059 654496449 /nfs/dbraw/zinc/49/64/49/654496449.db2.gz DKDUHRMZAOMOTB-CYBMUJFWSA-N 2 2 377.360 2.428 20 0 GEADLP O=S(=O)(N1CCC(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1)C(F)(F)F ZINC000925041065 654532196 /nfs/dbraw/zinc/53/21/96/654532196.db2.gz TVVWBIWWXIFKRA-HUUCEWRRSA-N 2 2 383.480 2.155 20 0 GEADLP O=S(=O)(N1CCC(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1)C(F)(F)F ZINC000925041065 654532198 /nfs/dbraw/zinc/53/21/98/654532198.db2.gz TVVWBIWWXIFKRA-HUUCEWRRSA-N 2 2 383.480 2.155 20 0 GEADLP C[C@H]([NH3+])[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000925479032 654545259 /nfs/dbraw/zinc/54/52/59/654545259.db2.gz PUCLZTRERIJAKH-WFASDCNBSA-N 2 2 379.448 2.226 20 0 GEADLP CO[C@H]1C[C@@H](C[NH2+][C@@H](C)C2(Br)CC2)N(c2cc(N(C)C)[nH+]cn2)C1 ZINC000926818733 654582748 /nfs/dbraw/zinc/58/27/48/654582748.db2.gz FKWPBARKGNJYPS-IHRRRGAJSA-N 2 2 398.349 2.042 20 0 GEADLP Cc1cccc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1Br ZINC000930169301 654700917 /nfs/dbraw/zinc/70/09/17/654700917.db2.gz WBOCAZMUENRYRI-UHFFFAOYSA-N 2 2 383.330 2.417 20 0 GEADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC[S@@](=O)C(F)(F)F)C2)ccn1 ZINC000931094217 654729324 /nfs/dbraw/zinc/72/93/24/654729324.db2.gz OZIDYOJRRZPINO-SGANQWHYSA-N 2 2 379.448 2.255 20 0 GEADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC[S@@](=O)C(F)(F)F)C2)ccn1 ZINC000931094217 654729326 /nfs/dbraw/zinc/72/93/26/654729326.db2.gz OZIDYOJRRZPINO-SGANQWHYSA-N 2 2 379.448 2.255 20 0 GEADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC[S@@](=O)C(F)(F)F)C2)ccn1 ZINC000931094217 654729329 /nfs/dbraw/zinc/72/93/29/654729329.db2.gz OZIDYOJRRZPINO-SGANQWHYSA-N 2 2 379.448 2.255 20 0 GEADLP CN([C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CC1(F)CC1 ZINC000914289532 654842252 /nfs/dbraw/zinc/84/22/52/654842252.db2.gz PZYGIUFPNOZYKS-DLBZAZTESA-N 2 2 375.554 2.087 20 0 GEADLP CN([C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CC1(F)CC1 ZINC000914289532 654842255 /nfs/dbraw/zinc/84/22/55/654842255.db2.gz PZYGIUFPNOZYKS-DLBZAZTESA-N 2 2 375.554 2.087 20 0 GEADLP S=C(NCCC[NH+]1CCOCC1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000916119061 654889312 /nfs/dbraw/zinc/88/93/12/654889312.db2.gz JEUNAIHLPLIYLO-INIZCTEOSA-N 2 2 382.599 2.071 20 0 GEADLP c1ccc(C[N@@H+]2C[C@@H]3CCCN(c4cc[nH+]c(N5CCOCC5)n4)[C@@H]3C2)cc1 ZINC001164626684 719086555 /nfs/dbraw/zinc/08/65/55/719086555.db2.gz INPKNRMQBSQXGH-VQTJNVASSA-N 2 2 379.508 2.414 20 0 GEADLP c1ccc(C[N@H+]2C[C@@H]3CCCN(c4cc[nH+]c(N5CCOCC5)n4)[C@@H]3C2)cc1 ZINC001164626684 719086561 /nfs/dbraw/zinc/08/65/61/719086561.db2.gz INPKNRMQBSQXGH-VQTJNVASSA-N 2 2 379.508 2.414 20 0 GEADLP CSc1cc[nH+]c(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c1 ZINC001164714755 720197004 /nfs/dbraw/zinc/19/70/04/720197004.db2.gz HTXLDWWMZDWHAV-KRWDZBQOSA-N 2 2 388.541 2.148 20 0 GEADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+]c(C)cc4ccccc43)C2)C1 ZINC001164722188 720266528 /nfs/dbraw/zinc/26/65/28/720266528.db2.gz OODLLJZGKFZMLV-QFIPXVFZSA-N 2 2 382.508 2.208 20 0 GEADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3[nH+]c(C)cc4ccccc43)C2)C1 ZINC001164722188 720266542 /nfs/dbraw/zinc/26/65/42/720266542.db2.gz OODLLJZGKFZMLV-QFIPXVFZSA-N 2 2 382.508 2.208 20 0 GEADLP Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3c3cccc(N4CC[NH+](C)CC4)[nH+]3)O2)n1 ZINC001164830096 720406288 /nfs/dbraw/zinc/40/62/88/720406288.db2.gz PRZUVHGXNQDFNC-ZACQAIPSSA-N 2 2 384.484 2.024 20 0 GEADLP Cc1cc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)[nH+]c2ccccc12 ZINC001164751496 720953739 /nfs/dbraw/zinc/95/37/39/720953739.db2.gz SQDMSSPANCZFAX-UHFFFAOYSA-N 2 2 379.464 2.385 20 0 GEADLP Cc1c[nH+]c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)nc1NCC1CC1 ZINC001164761653 721069084 /nfs/dbraw/zinc/06/90/84/721069084.db2.gz CKDZGYKPFTZINJ-OALUTQOASA-N 2 2 381.528 2.299 20 0 GEADLP Cc1c[nH+]c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)nc1NCC1CC1 ZINC001164761653 721069085 /nfs/dbraw/zinc/06/90/85/721069085.db2.gz CKDZGYKPFTZINJ-OALUTQOASA-N 2 2 381.528 2.299 20 0 GEADLP Cc1cc(Cl)c(C)c(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)[nH+]1 ZINC001164873525 721275070 /nfs/dbraw/zinc/27/50/70/721275070.db2.gz NWOQTXXRFCUOJU-UHFFFAOYSA-N 2 2 394.947 2.359 20 0 GEADLP Cc1cc(Cl)c(C)c(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)[nH+]1 ZINC001164873525 721275073 /nfs/dbraw/zinc/27/50/73/721275073.db2.gz NWOQTXXRFCUOJU-UHFFFAOYSA-N 2 2 394.947 2.359 20 0 GEADLP Cc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)cc(N(C)C)[nH+]1 ZINC001164803115 721531448 /nfs/dbraw/zinc/53/14/48/721531448.db2.gz IDTZKRDPYYLSAL-LVCYWYKZSA-N 2 2 382.512 2.114 20 0 GEADLP Cc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)cc(N(C)C)[nH+]1 ZINC001164803115 721531452 /nfs/dbraw/zinc/53/14/52/721531452.db2.gz IDTZKRDPYYLSAL-LVCYWYKZSA-N 2 2 382.512 2.114 20 0 GEADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2[nH+][nH]c(Cl)c3ncnc2-3)[C@H]2CCCO[C@H]12 ZINC001164804019 721564661 /nfs/dbraw/zinc/56/46/61/721564661.db2.gz KRIRLHSIKMXSME-VBQJREDUSA-N 2 2 399.886 2.270 20 0 GEADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2[nH+][nH]c(Cl)c3ncnc2-3)[C@H]2CCCO[C@H]12 ZINC001164804019 721564662 /nfs/dbraw/zinc/56/46/62/721564662.db2.gz KRIRLHSIKMXSME-VBQJREDUSA-N 2 2 399.886 2.270 20 0 GEADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc(Cl)nc3c1CC[NH2+]C3)C2 ZINC001165009990 721711515 /nfs/dbraw/zinc/71/15/15/721711515.db2.gz XNUVKSZLZABFEF-UHFFFAOYSA-N 2 2 389.935 2.223 20 0 GEADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc(Cl)nc3c1CC[NH2+]C3)C2 ZINC001165009990 721711516 /nfs/dbraw/zinc/71/15/16/721711516.db2.gz XNUVKSZLZABFEF-UHFFFAOYSA-N 2 2 389.935 2.223 20 0 GEADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc3c(n2)C[NH2+]C3)CC1 ZINC001165023457 721840669 /nfs/dbraw/zinc/84/06/69/721840669.db2.gz YIOXIVWKBDWCRY-UHFFFAOYSA-N 2 2 383.496 2.198 20 0 GEADLP CN(CC1CC[NH+](C)CC1)c1nc2c(ccn2S(=O)(=O)c2ccccc2)c[nH+]1 ZINC001165042516 721936299 /nfs/dbraw/zinc/93/62/99/721936299.db2.gz HTIOMYKUVJTYOB-UHFFFAOYSA-N 2 2 399.520 2.446 20 0 GEADLP C[NH+](C)CC1CCN(c2nc3c(ccn3S(=O)(=O)c3ccccc3)c[nH+]2)CC1 ZINC001165045682 721948456 /nfs/dbraw/zinc/94/84/56/721948456.db2.gz UZCXKZYVKNDUPF-UHFFFAOYSA-N 2 2 399.520 2.446 20 0 GEADLP CCN(C)c1cc[nH+]c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164985160 722098908 /nfs/dbraw/zinc/09/89/08/722098908.db2.gz VDRQQTNRDGOIEK-MOPGFXCFSA-N 2 2 382.512 2.055 20 0 GEADLP CCN(C)c1cc[nH+]c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164985160 722098911 /nfs/dbraw/zinc/09/89/11/722098911.db2.gz VDRQQTNRDGOIEK-MOPGFXCFSA-N 2 2 382.512 2.055 20 0 GEADLP CC(=O)Nc1c(C)cc[nH+]c1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165001912 722255496 /nfs/dbraw/zinc/25/54/96/722255496.db2.gz IZCHWALWLOUPLU-UHFFFAOYSA-N 2 2 386.500 2.033 20 0 GEADLP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H](C)[NH+]3CCSCC3)CC2)cs1 ZINC000152465715 531554769 /nfs/dbraw/zinc/55/47/69/531554769.db2.gz WNFDDKARGSOXJV-AWEZNQCLSA-N 2 2 382.599 2.217 20 0 GEADLP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@H](O)c3ccccc3Br)C2)CC1 ZINC000153144223 531592826 /nfs/dbraw/zinc/59/28/26/531592826.db2.gz GXJHDZVFXNEIIP-YJBOKZPZSA-N 2 2 382.346 2.194 20 0 GEADLP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](O)c3ccccc3Br)C2)CC1 ZINC000153144223 531592829 /nfs/dbraw/zinc/59/28/29/531592829.db2.gz GXJHDZVFXNEIIP-YJBOKZPZSA-N 2 2 382.346 2.194 20 0 GEADLP CS(=O)(=O)N1CCC([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000163582977 531860909 /nfs/dbraw/zinc/86/09/09/531860909.db2.gz YUTGFXDAJHXIDP-UHFFFAOYSA-N 2 2 385.961 2.318 20 0 GEADLP Cc1[nH+]cc(C[NH2+]CCNS(=O)(=O)c2cccs2)n1-c1ccccc1 ZINC000122162377 532060237 /nfs/dbraw/zinc/06/02/37/532060237.db2.gz VBGMVFREYTWHOG-UHFFFAOYSA-N 2 2 376.507 2.310 20 0 GEADLP O=S(=O)(NCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC000122288582 532064484 /nfs/dbraw/zinc/06/44/84/532064484.db2.gz JQWUKMFTHPASGY-UHFFFAOYSA-N 2 2 379.551 2.281 20 0 GEADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2ccccc2Br)CC1 ZINC000175693023 532112221 /nfs/dbraw/zinc/11/22/21/532112221.db2.gz OJDGLQZGNUMYAU-UHFFFAOYSA-N 2 2 383.334 2.274 20 0 GEADLP O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129476646 532180005 /nfs/dbraw/zinc/18/00/05/532180005.db2.gz GZANNCLBPWAHOU-ZBFHGGJFSA-N 2 2 389.323 2.387 20 0 GEADLP O[C@H](COc1ccc(Cl)cc1Cl)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129476646 532180007 /nfs/dbraw/zinc/18/00/07/532180007.db2.gz GZANNCLBPWAHOU-ZBFHGGJFSA-N 2 2 389.323 2.387 20 0 GEADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000179485984 532232608 /nfs/dbraw/zinc/23/26/08/532232608.db2.gz FIHMVDTXMURQHE-JLSDUUJJSA-N 2 2 393.329 2.259 20 0 GEADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000179485984 532232612 /nfs/dbraw/zinc/23/26/12/532232612.db2.gz FIHMVDTXMURQHE-JLSDUUJJSA-N 2 2 393.329 2.259 20 0 GEADLP C[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000180014240 532253987 /nfs/dbraw/zinc/25/39/87/532253987.db2.gz CEHSVFFRIIARGX-HNNXBMFYSA-N 2 2 383.583 2.346 20 0 GEADLP O[C@@H](C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)C[NH+]1CCCC1 ZINC000139533540 532293123 /nfs/dbraw/zinc/29/31/23/532293123.db2.gz XZWCGYQLYHGZDP-KRWDZBQOSA-N 2 2 379.302 2.181 20 0 GEADLP O=C(c1ccc(Br)cc1)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182745423 532316884 /nfs/dbraw/zinc/31/68/84/532316884.db2.gz ZFSJPNABPRLECO-UHFFFAOYSA-N 2 2 377.286 2.494 20 0 GEADLP C[C@@H](C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)N1CC[NH+](C)CC1 ZINC000183733854 532328236 /nfs/dbraw/zinc/32/82/36/532328236.db2.gz BGGFSTGNBOIRGH-ZDUSSCGKSA-N 2 2 383.327 2.300 20 0 GEADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000188743779 532349361 /nfs/dbraw/zinc/34/93/61/532349361.db2.gz VYNHZZIMUPMPHS-ZDUSSCGKSA-N 2 2 381.318 2.374 20 0 GEADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000188743779 532349362 /nfs/dbraw/zinc/34/93/62/532349362.db2.gz VYNHZZIMUPMPHS-ZDUSSCGKSA-N 2 2 381.318 2.374 20 0 GEADLP CCS(=O)(=O)N1CC(C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000190693493 532357490 /nfs/dbraw/zinc/35/74/90/532357490.db2.gz QTVZWJWUCYOPFZ-UHFFFAOYSA-N 2 2 385.961 2.176 20 0 GEADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000647530028 532374219 /nfs/dbraw/zinc/37/42/19/532374219.db2.gz FGDGARPLUSCLLG-UONOGXRCSA-N 2 2 377.312 2.170 20 0 GEADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000647530028 532374224 /nfs/dbraw/zinc/37/42/24/532374224.db2.gz FGDGARPLUSCLLG-UONOGXRCSA-N 2 2 377.312 2.170 20 0 GEADLP CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)s1 ZINC000425392888 532384676 /nfs/dbraw/zinc/38/46/76/532384676.db2.gz HOQROUKGVGXJAR-UHFFFAOYSA-N 2 2 382.555 2.187 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3ccc(Br)c(F)c3)C2)CC1 ZINC000372728546 532404764 /nfs/dbraw/zinc/40/47/64/532404764.db2.gz RDAGPMOULDQPPQ-CQSZACIVSA-N 2 2 398.320 2.415 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3ccc(Br)c(F)c3)C2)CC1 ZINC000372728546 532404766 /nfs/dbraw/zinc/40/47/66/532404766.db2.gz RDAGPMOULDQPPQ-CQSZACIVSA-N 2 2 398.320 2.415 20 0 GEADLP O=S(=O)(CC[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(Br)c1 ZINC000517129627 532406124 /nfs/dbraw/zinc/40/61/24/532406124.db2.gz FMIMEGSJARJMDG-LBPRGKRZSA-N 2 2 384.299 2.093 20 0 GEADLP O=S(=O)(CC[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cccc(Br)c1 ZINC000517129627 532406133 /nfs/dbraw/zinc/40/61/33/532406133.db2.gz FMIMEGSJARJMDG-LBPRGKRZSA-N 2 2 384.299 2.093 20 0 GEADLP Brc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(N2CCOCC2)c1 ZINC000427109938 532410909 /nfs/dbraw/zinc/41/09/09/532410909.db2.gz TUTURYKUOYAOAQ-RHSMWYFYSA-N 2 2 380.330 2.470 20 0 GEADLP Brc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(N2CCOCC2)c1 ZINC000427109938 532410917 /nfs/dbraw/zinc/41/09/17/532410917.db2.gz TUTURYKUOYAOAQ-RHSMWYFYSA-N 2 2 380.330 2.470 20 0 GEADLP CC[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1cc(F)cc(Br)c1 ZINC000561203424 532432555 /nfs/dbraw/zinc/43/25/55/532432555.db2.gz YJMAKEWAGWXRSP-GJZGRUSLSA-N 2 2 387.297 2.324 20 0 GEADLP CC[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1cc(F)cc(Br)c1 ZINC000561203424 532432559 /nfs/dbraw/zinc/43/25/59/532432559.db2.gz YJMAKEWAGWXRSP-GJZGRUSLSA-N 2 2 387.297 2.324 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ncnc4cc(Br)sc43)C2)CC1 ZINC000651314347 532464925 /nfs/dbraw/zinc/46/49/25/532464925.db2.gz XOPPTVZPILWKKR-NSHDSACASA-N 2 2 396.358 3.034 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ncnc4cc(Br)sc43)C2)CC1 ZINC000651314347 532464930 /nfs/dbraw/zinc/46/49/30/532464930.db2.gz XOPPTVZPILWKKR-NSHDSACASA-N 2 2 396.358 3.034 20 0 GEADLP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000519648469 532472518 /nfs/dbraw/zinc/47/25/18/532472518.db2.gz ULWWCEYAQJFZTN-DLBZAZTESA-N 2 2 396.329 2.081 20 0 GEADLP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000519648472 532473116 /nfs/dbraw/zinc/47/31/16/532473116.db2.gz ULWWCEYAQJFZTN-IRXDYDNUSA-N 2 2 396.329 2.081 20 0 GEADLP O=C(NCC1([NH+]2CCSCC2)CCCC1)C1CC[NH+](CC(F)F)CC1 ZINC000373922665 532479228 /nfs/dbraw/zinc/47/92/28/532479228.db2.gz OUYORBUZTUIVOI-UHFFFAOYSA-N 2 2 375.529 2.441 20 0 GEADLP C[N@@H+]1CCN(C2CC[NH+](C[C@@H](O)c3ccc(Cl)cc3Cl)CC2)C(=O)C1 ZINC000374770837 532518092 /nfs/dbraw/zinc/51/80/92/532518092.db2.gz IFBGZQVPMFZAEG-QGZVFWFLSA-N 2 2 386.323 2.265 20 0 GEADLP C[N@H+]1CCN(C2CC[NH+](C[C@@H](O)c3ccc(Cl)cc3Cl)CC2)C(=O)C1 ZINC000374770837 532518093 /nfs/dbraw/zinc/51/80/93/532518093.db2.gz IFBGZQVPMFZAEG-QGZVFWFLSA-N 2 2 386.323 2.265 20 0 GEADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000430579943 532501988 /nfs/dbraw/zinc/50/19/88/532501988.db2.gz ZUGZVUZUEURZGV-KRWDZBQOSA-N 2 2 388.343 2.000 20 0 GEADLP O=C(CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1)Nc1ccc(Br)cc1F ZINC000653646565 532538747 /nfs/dbraw/zinc/53/87/47/532538747.db2.gz ZJUUCBOORKLFIG-UHFFFAOYSA-N 2 2 396.264 2.462 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)C2)CC1 ZINC000375178767 532539525 /nfs/dbraw/zinc/53/95/25/532539525.db2.gz GUWDKKMORQCDOH-LXZKKBNFSA-N 2 2 389.371 2.380 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)C2)CC1 ZINC000375178767 532539533 /nfs/dbraw/zinc/53/95/33/532539533.db2.gz GUWDKKMORQCDOH-LXZKKBNFSA-N 2 2 389.371 2.380 20 0 GEADLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COCC(F)(F)F)C1 ZINC000433209818 532559862 /nfs/dbraw/zinc/55/98/62/532559862.db2.gz SFPRPVGGNAQPSA-KGLIPLIRSA-N 2 2 381.464 2.145 20 0 GEADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COCC(F)(F)F)C1 ZINC000433209818 532559866 /nfs/dbraw/zinc/55/98/66/532559866.db2.gz SFPRPVGGNAQPSA-KGLIPLIRSA-N 2 2 381.464 2.145 20 0 GEADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COCC(F)(F)F)C1 ZINC000433209818 532559869 /nfs/dbraw/zinc/55/98/69/532559869.db2.gz SFPRPVGGNAQPSA-KGLIPLIRSA-N 2 2 381.464 2.145 20 0 GEADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COCC(F)(F)F)C1 ZINC000433209818 532559877 /nfs/dbraw/zinc/55/98/77/532559877.db2.gz SFPRPVGGNAQPSA-KGLIPLIRSA-N 2 2 381.464 2.145 20 0 GEADLP COC(=O)c1ccc(C[NH2+]CCC[NH+]2CCC(O)CC2)c(Br)c1 ZINC000284269020 532583143 /nfs/dbraw/zinc/58/31/43/532583143.db2.gz GTKXSTWSIJLOQL-UHFFFAOYSA-N 2 2 385.302 2.172 20 0 GEADLP COc1nc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)ncc1Br ZINC000433523310 532572407 /nfs/dbraw/zinc/57/24/07/532572407.db2.gz AWZMMZQJCFRMSS-UHFFFAOYSA-N 2 2 398.349 2.243 20 0 GEADLP Cc1nn(C)c(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1Br ZINC000375675025 532574425 /nfs/dbraw/zinc/57/44/25/532574425.db2.gz COKZDNSQVVTLEB-UHFFFAOYSA-N 2 2 398.393 2.481 20 0 GEADLP COc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc(I)c1OC ZINC000435373707 532615009 /nfs/dbraw/zinc/61/50/09/532615009.db2.gz ODLSEAYCVKJGMZ-ZYHUDNBSSA-N 2 2 390.265 2.478 20 0 GEADLP COc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc(I)c1OC ZINC000435373707 532615016 /nfs/dbraw/zinc/61/50/16/532615016.db2.gz ODLSEAYCVKJGMZ-ZYHUDNBSSA-N 2 2 390.265 2.478 20 0 GEADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000436067520 532625692 /nfs/dbraw/zinc/62/56/92/532625692.db2.gz UHCIMFMVGUMTHG-AWEZNQCLSA-N 2 2 384.311 2.461 20 0 GEADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000436067520 532625695 /nfs/dbraw/zinc/62/56/95/532625695.db2.gz UHCIMFMVGUMTHG-AWEZNQCLSA-N 2 2 384.311 2.461 20 0 GEADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000567167516 532643079 /nfs/dbraw/zinc/64/30/79/532643079.db2.gz ZQJWUNQHDZHQKS-AGIUHOORSA-N 2 2 399.276 2.160 20 0 GEADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000567167516 532643082 /nfs/dbraw/zinc/64/30/82/532643082.db2.gz ZQJWUNQHDZHQKS-AGIUHOORSA-N 2 2 399.276 2.160 20 0 GEADLP COC(=O)[C@]1([NH2+]CCc2c[nH+]cn2C)CCc2cc(Br)ccc2C1 ZINC000599594313 532667789 /nfs/dbraw/zinc/66/77/89/532667789.db2.gz OBNVAGLXGNCYPQ-SFHVURJKSA-N 2 2 392.297 2.415 20 0 GEADLP CC[N@H+](C)C[C@@H](O)CN1CC[NH+]([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000567286116 532647534 /nfs/dbraw/zinc/64/75/34/532647534.db2.gz AWEHGDMNBGNBFN-MAUKXSAKSA-N 2 2 384.362 2.440 20 0 GEADLP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+]([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000567286116 532647541 /nfs/dbraw/zinc/64/75/41/532647541.db2.gz AWEHGDMNBGNBFN-MAUKXSAKSA-N 2 2 384.362 2.440 20 0 GEADLP O=C1[C@H]([NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000567889233 532669612 /nfs/dbraw/zinc/66/96/12/532669612.db2.gz DLXFRZDJYMBHJB-RHSMWYFYSA-N 2 2 383.323 2.078 20 0 GEADLP C[C@@]1(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C[NH2+]CCO1 ZINC000638110628 532680758 /nfs/dbraw/zinc/68/07/58/532680758.db2.gz NWSPIBAMQJRXGY-SFHVURJKSA-N 2 2 386.323 2.453 20 0 GEADLP CO[C@@H](C[NH3+])CC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000576224822 532727863 /nfs/dbraw/zinc/72/78/63/532727863.db2.gz DTPSIVDFVYPWEW-OAHLLOKOSA-N 2 2 395.301 2.038 20 0 GEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000582601507 532760211 /nfs/dbraw/zinc/76/02/11/532760211.db2.gz NWWFJZCQLDYJOT-JGFGOQIWSA-N 2 2 387.293 2.400 20 0 GEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000582601507 532760212 /nfs/dbraw/zinc/76/02/12/532760212.db2.gz NWWFJZCQLDYJOT-JGFGOQIWSA-N 2 2 387.293 2.400 20 0 GEADLP C[N@@H+]1CCN(C(=O)NCC(C)(C)c2cccc(Br)c2)[C@H](C[NH3+])C1 ZINC000581001036 532752983 /nfs/dbraw/zinc/75/29/83/532752983.db2.gz WTCBJWZVFQFKCR-OAHLLOKOSA-N 2 2 383.334 2.011 20 0 GEADLP C[N@H+]1CCN(C(=O)NCC(C)(C)c2cccc(Br)c2)[C@H](C[NH3+])C1 ZINC000581001036 532752987 /nfs/dbraw/zinc/75/29/87/532752987.db2.gz WTCBJWZVFQFKCR-OAHLLOKOSA-N 2 2 383.334 2.011 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)NC[C@@H]3CCC[N@H+]3C)[nH+]c12 ZINC000273618782 532828451 /nfs/dbraw/zinc/82/84/51/532828451.db2.gz DGKMYEDXVPPQGZ-AWEZNQCLSA-N 2 2 380.290 2.299 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)NC[C@@H]3CCC[N@@H+]3C)[nH+]c12 ZINC000273618782 532828454 /nfs/dbraw/zinc/82/84/54/532828454.db2.gz DGKMYEDXVPPQGZ-AWEZNQCLSA-N 2 2 380.290 2.299 20 0 GEADLP COC[C@]1(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CCC[NH2+]1 ZINC000414937579 532836094 /nfs/dbraw/zinc/83/60/94/532836094.db2.gz DDTKZORBOVDLCN-QGZVFWFLSA-N 2 2 379.302 2.493 20 0 GEADLP C[N@@H+](Cc1cc(Br)ccc1OCc1ccccn1)C[C@@H](O)C[NH3+] ZINC000415063800 532837279 /nfs/dbraw/zinc/83/72/79/532837279.db2.gz AZNSLDCKQVJINB-INIZCTEOSA-N 2 2 380.286 2.175 20 0 GEADLP C[N@H+](Cc1cc(Br)ccc1OCc1ccccn1)C[C@@H](O)C[NH3+] ZINC000415063800 532837282 /nfs/dbraw/zinc/83/72/82/532837282.db2.gz AZNSLDCKQVJINB-INIZCTEOSA-N 2 2 380.286 2.175 20 0 GEADLP COc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000415103239 532838224 /nfs/dbraw/zinc/83/82/24/532838224.db2.gz CYAPWNMHWJPEHY-OAHLLOKOSA-N 2 2 380.290 2.345 20 0 GEADLP COc1cc(Br)ccc1C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000415103239 532838226 /nfs/dbraw/zinc/83/82/26/532838226.db2.gz CYAPWNMHWJPEHY-OAHLLOKOSA-N 2 2 380.290 2.345 20 0 GEADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000359882438 209200569 /nfs/dbraw/zinc/20/05/69/209200569.db2.gz WFSUVDCODQEPTL-IBGZPJMESA-N 3 2 383.544 2.213 20 0 GEADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000359882438 209200572 /nfs/dbraw/zinc/20/05/72/209200572.db2.gz WFSUVDCODQEPTL-IBGZPJMESA-N 3 2 383.544 2.213 20 0 GEADLP CC(C)c1nccn1C[C@@H]1CCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000359882438 209200576 /nfs/dbraw/zinc/20/05/76/209200576.db2.gz WFSUVDCODQEPTL-IBGZPJMESA-N 2 2 383.544 2.213 20 0 GEADLP CC(C)c1nccn1C[C@@H]1CCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000359882438 209200581 /nfs/dbraw/zinc/20/05/81/209200581.db2.gz WFSUVDCODQEPTL-IBGZPJMESA-N 2 2 383.544 2.213 20 0 GEADLP CCOC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)CC1 ZINC000359900849 209183044 /nfs/dbraw/zinc/18/30/44/209183044.db2.gz QLWHLVQGAAXDCG-MOPGFXCFSA-N 2 2 393.572 2.375 20 0 GEADLP CCOC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)CC1 ZINC000359900849 209183048 /nfs/dbraw/zinc/18/30/48/209183048.db2.gz QLWHLVQGAAXDCG-MOPGFXCFSA-N 2 2 393.572 2.375 20 0 GEADLP CCOC(=O)C1CCN(C(=O)C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000359900849 209183050 /nfs/dbraw/zinc/18/30/50/209183050.db2.gz QLWHLVQGAAXDCG-MOPGFXCFSA-N 2 2 393.572 2.375 20 0 GEADLP CCOC(=O)C1CCN(C(=O)C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000359900849 209183053 /nfs/dbraw/zinc/18/30/53/209183053.db2.gz QLWHLVQGAAXDCG-MOPGFXCFSA-N 2 2 393.572 2.375 20 0 GEADLP CCc1ccc(C[NH+]2CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC2)s1 ZINC000416007056 532862990 /nfs/dbraw/zinc/86/29/90/532862990.db2.gz MIRUFBHQVNHZBC-AWEZNQCLSA-N 2 2 378.464 2.417 20 0 GEADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2c(F)cccc2Br)CC1 ZINC000360001013 532889123 /nfs/dbraw/zinc/88/91/23/532889123.db2.gz UMVSXUUHWDSTJX-UHFFFAOYSA-N 2 2 387.293 2.247 20 0 GEADLP Cc1cc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)ccc1I ZINC000423098268 532894260 /nfs/dbraw/zinc/89/42/60/532894260.db2.gz RXSCYJREZFFDAO-CVEARBPZSA-N 2 2 386.277 2.456 20 0 GEADLP Cc1cc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)ccc1I ZINC000423098271 532894344 /nfs/dbraw/zinc/89/43/44/532894344.db2.gz RXSCYJREZFFDAO-JKSUJKDBSA-N 2 2 386.277 2.456 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(F)cc3Br)C2)CC1 ZINC000363338462 532898369 /nfs/dbraw/zinc/89/83/69/532898369.db2.gz GLQUMHCFGKYPIV-ZDUSSCGKSA-N 2 2 384.293 2.487 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(F)cc3Br)C2)CC1 ZINC000363338462 532898372 /nfs/dbraw/zinc/89/83/72/532898372.db2.gz GLQUMHCFGKYPIV-ZDUSSCGKSA-N 2 2 384.293 2.487 20 0 GEADLP CN(C(=O)c1cncc(Br)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365226009 532908936 /nfs/dbraw/zinc/90/89/36/532908936.db2.gz NKZLRSPNFFEFGA-MRXNPFEDSA-N 2 2 381.318 2.085 20 0 GEADLP CN(C(=O)c1cncc(Br)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365226009 532908939 /nfs/dbraw/zinc/90/89/39/532908939.db2.gz NKZLRSPNFFEFGA-MRXNPFEDSA-N 2 2 381.318 2.085 20 0 GEADLP Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(Br)n1 ZINC000366852112 532921599 /nfs/dbraw/zinc/92/15/99/532921599.db2.gz GRHMQNRMHCEHCN-CYBMUJFWSA-N 2 2 381.318 2.051 20 0 GEADLP Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(Br)n1 ZINC000366852112 532921600 /nfs/dbraw/zinc/92/16/00/532921600.db2.gz GRHMQNRMHCEHCN-CYBMUJFWSA-N 2 2 381.318 2.051 20 0 GEADLP C[C@@H](c1ncc(Br)cn1)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367875384 532928359 /nfs/dbraw/zinc/92/83/59/532928359.db2.gz TXQNQUYIONGIQA-KGLIPLIRSA-N 2 2 382.350 2.400 20 0 GEADLP C[C@@H](c1ncc(Br)cn1)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367875384 532928360 /nfs/dbraw/zinc/92/83/60/532928360.db2.gz TXQNQUYIONGIQA-KGLIPLIRSA-N 2 2 382.350 2.400 20 0 GEADLP CSc1nc2ncnc(N(C)[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c2s1 ZINC000367501821 532925683 /nfs/dbraw/zinc/92/56/83/532925683.db2.gz BSPJTIRDADJZIG-CYBMUJFWSA-N 2 2 378.571 2.413 20 0 GEADLP CSc1nc2ncnc(N(C)[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c2s1 ZINC000367501821 532925684 /nfs/dbraw/zinc/92/56/84/532925684.db2.gz BSPJTIRDADJZIG-CYBMUJFWSA-N 2 2 378.571 2.413 20 0 GEADLP FC(F)Oc1ccc2[nH+]cc(-c3nn[nH]n3)c(N3CC[C@@H]([NH+]4CC=CC4)C3)c2c1 ZINC000822736358 599047595 /nfs/dbraw/zinc/04/75/95/599047595.db2.gz DMJIGVSCSYDUFF-GFCCVEGCSA-N 2 2 399.405 2.467 20 0 GEADLP CC[N@@H+]1CCC[C@H](Nc2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000736572604 598743948 /nfs/dbraw/zinc/74/39/48/598743948.db2.gz VXAQHRZVXZXVFD-NSHDSACASA-N 2 2 389.410 2.334 20 0 GEADLP CC[N@H+]1CCC[C@H](Nc2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000736572604 598743949 /nfs/dbraw/zinc/74/39/49/598743949.db2.gz VXAQHRZVXZXVFD-NSHDSACASA-N 2 2 389.410 2.334 20 0 GEADLP c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000738433883 599483549 /nfs/dbraw/zinc/48/35/49/599483549.db2.gz XVTJZDNUQMMNFV-UHFFFAOYSA-N 2 2 388.479 2.269 20 0 GEADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+]Cc1cnc3ccc(-c4nn[nH]n4)cn13)C2 ZINC000735652416 599488516 /nfs/dbraw/zinc/48/85/16/599488516.db2.gz KGOGYHWSADVNPD-AWEZNQCLSA-N 2 2 391.483 2.113 20 0 GEADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CCN(CC[NH+]2CCCCC2)CC1 ZINC000738436464 599501135 /nfs/dbraw/zinc/50/11/35/599501135.db2.gz IWKNTWFVKDAOAB-UHFFFAOYSA-N 2 2 392.511 2.023 20 0 GEADLP c1cn(C2CC[NH+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)CC2)c[nH+]1 ZINC000738445204 599580452 /nfs/dbraw/zinc/58/04/52/599580452.db2.gz DUGQGQWQWSAHLE-UHFFFAOYSA-N 2 2 375.440 2.221 20 0 GEADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)[C@H](C)C1 ZINC000821378978 607057751 /nfs/dbraw/zinc/05/77/51/607057751.db2.gz YWRKQPAGFLVRLR-RDTXWAMCSA-N 2 2 376.480 2.232 20 0 GEADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)[C@H](C)C1 ZINC000821378978 607057752 /nfs/dbraw/zinc/05/77/52/607057752.db2.gz YWRKQPAGFLVRLR-RDTXWAMCSA-N 2 2 376.480 2.232 20 0 GEADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)[C@H](C)C1 ZINC000821378975 607057900 /nfs/dbraw/zinc/05/79/00/607057900.db2.gz YWRKQPAGFLVRLR-KDOFPFPSSA-N 2 2 376.480 2.232 20 0 GEADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)[C@H](C)C1 ZINC000821378975 607057901 /nfs/dbraw/zinc/05/79/01/607057901.db2.gz YWRKQPAGFLVRLR-KDOFPFPSSA-N 2 2 376.480 2.232 20 0 GEADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)CC[C@H]21 ZINC000821625913 607073159 /nfs/dbraw/zinc/07/31/59/607073159.db2.gz YKPXZMKJGRESQY-DZGCQCFKSA-N 2 2 378.427 2.384 20 0 GEADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)CC[C@H]21 ZINC000821625913 607073162 /nfs/dbraw/zinc/07/31/62/607073162.db2.gz YKPXZMKJGRESQY-DZGCQCFKSA-N 2 2 378.427 2.384 20 0 GEADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)CC[C@H]21 ZINC000821625913 607073163 /nfs/dbraw/zinc/07/31/63/607073163.db2.gz YKPXZMKJGRESQY-DZGCQCFKSA-N 2 2 378.427 2.384 20 0 GEADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)CC[C@H]21 ZINC000821625913 607073166 /nfs/dbraw/zinc/07/31/66/607073166.db2.gz YKPXZMKJGRESQY-DZGCQCFKSA-N 2 2 378.427 2.384 20 0 GEADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)C1 ZINC000825755195 607922434 /nfs/dbraw/zinc/92/24/34/607922434.db2.gz RVABKECFFQQTRQ-HNNXBMFYSA-N 2 2 395.467 2.249 20 0 GEADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)C1 ZINC000825755195 607922435 /nfs/dbraw/zinc/92/24/35/607922435.db2.gz RVABKECFFQQTRQ-HNNXBMFYSA-N 2 2 395.467 2.249 20 0 GEADLP O=C(CC[NH+]1CCC(Nc2cccc[nH+]2)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407158 608045474 /nfs/dbraw/zinc/04/54/74/608045474.db2.gz CZCZGQGCAPWQST-UHFFFAOYSA-N 2 2 392.467 2.167 20 0 GEADLP Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1-c1nn[nH]n1 ZINC000826332625 608316062 /nfs/dbraw/zinc/31/60/62/608316062.db2.gz ZVUOJDSFFLFOAO-QGZVFWFLSA-N 2 2 392.511 2.279 20 0 GEADLP Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1-c1nn[nH]n1 ZINC000826332625 608316064 /nfs/dbraw/zinc/31/60/64/608316064.db2.gz ZVUOJDSFFLFOAO-QGZVFWFLSA-N 2 2 392.511 2.279 20 0 GEADLP Cc1ccc(Br)cc1C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000450653767 650068727 /nfs/dbraw/zinc/06/87/27/650068727.db2.gz PWTYIMLBJMLQSP-UHFFFAOYSA-N 2 2 383.330 2.417 20 0 GEADLP COc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(Br)c1 ZINC000512046566 650544605 /nfs/dbraw/zinc/54/46/05/650544605.db2.gz UMJVEKZNLSZFOJ-CQSZACIVSA-N 2 2 384.318 2.135 20 0 GEADLP COc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(Br)c1 ZINC000512046566 650544607 /nfs/dbraw/zinc/54/46/07/650544607.db2.gz UMJVEKZNLSZFOJ-CQSZACIVSA-N 2 2 384.318 2.135 20 0 GEADLP C[NH+](C)Cc1cnc(C[NH2+]CCNC(=O)c2cccc(Br)c2)s1 ZINC000512041558 650544206 /nfs/dbraw/zinc/54/42/06/650544206.db2.gz UVECOGUPKVQQLK-UHFFFAOYSA-N 2 2 397.342 2.487 20 0 GEADLP C[C@@H](C[NH+](C)C)NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000512436915 650548847 /nfs/dbraw/zinc/54/88/47/650548847.db2.gz NYVXJDUJWIFMRQ-ZDUSSCGKSA-N 2 2 398.305 2.401 20 0 GEADLP C[C@H]1Cc2ccc(Br)cc2C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000514146330 650573892 /nfs/dbraw/zinc/57/38/92/650573892.db2.gz WVLUTEBNTPDRPF-AWEZNQCLSA-N 2 2 380.330 2.360 20 0 GEADLP C[C@H]1Cc2ccc(Br)cc2C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000514146330 650573895 /nfs/dbraw/zinc/57/38/95/650573895.db2.gz WVLUTEBNTPDRPF-AWEZNQCLSA-N 2 2 380.330 2.360 20 0 GEADLP COc1c(Br)cccc1C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000479389834 650602708 /nfs/dbraw/zinc/60/27/08/650602708.db2.gz VUMLCMGOEVGPHU-UHFFFAOYSA-N 2 2 398.345 2.490 20 0 GEADLP C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000484920639 650691287 /nfs/dbraw/zinc/69/12/87/650691287.db2.gz XLDNQNCKJOEBTK-TUAOUCFPSA-N 2 2 387.265 2.287 20 0 GEADLP C[C@H](C(=O)Nc1cccc(I)c1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000484920639 650691288 /nfs/dbraw/zinc/69/12/88/650691288.db2.gz XLDNQNCKJOEBTK-TUAOUCFPSA-N 2 2 387.265 2.287 20 0 GEADLP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000530360542 650723168 /nfs/dbraw/zinc/72/31/68/650723168.db2.gz XCOJHDLQTUFRFG-SECBINFHSA-N 2 2 377.297 2.268 20 0 GEADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(=O)n3cc(Br)ccc3n2)CC[N@@H+]1C ZINC000533311228 650759928 /nfs/dbraw/zinc/75/99/28/650759928.db2.gz MLMYRZAHKBLIBZ-SWLSCSKDSA-N 2 2 379.302 2.372 20 0 GEADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(=O)n3cc(Br)ccc3n2)CC[N@H+]1C ZINC000533311228 650759934 /nfs/dbraw/zinc/75/99/34/650759934.db2.gz MLMYRZAHKBLIBZ-SWLSCSKDSA-N 2 2 379.302 2.372 20 0 GEADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)CC[NH+]1C ZINC000533311228 650759939 /nfs/dbraw/zinc/75/99/39/650759939.db2.gz MLMYRZAHKBLIBZ-SWLSCSKDSA-N 2 2 379.302 2.372 20 0 GEADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)CC[NH+]1C ZINC000533311228 650759943 /nfs/dbraw/zinc/75/99/43/650759943.db2.gz MLMYRZAHKBLIBZ-SWLSCSKDSA-N 2 2 379.302 2.372 20 0 GEADLP COCC[NH+]1CCC([NH2+][C@H]2CCO[C@@H]2c2cncc(Br)c2)CC1 ZINC000492815595 650792124 /nfs/dbraw/zinc/79/21/24/650792124.db2.gz IDIGSEQITOYXBR-DLBZAZTESA-N 2 2 384.318 2.375 20 0 GEADLP Cc1nn(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(C)c1Br ZINC000124676776 643688686 /nfs/dbraw/zinc/68/86/86/643688686.db2.gz PTGQCURPIIXYST-SJPCQFCGSA-N 2 2 396.377 2.463 20 0 GEADLP Cc1nn(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(C)c1Br ZINC000124676776 643688692 /nfs/dbraw/zinc/68/86/92/643688692.db2.gz PTGQCURPIIXYST-SJPCQFCGSA-N 2 2 396.377 2.463 20 0 GEADLP CCOCCOc1ccc(Br)cc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000269819517 646063307 /nfs/dbraw/zinc/06/33/07/646063307.db2.gz OXUJWJMJVMXDEC-KRWDZBQOSA-N 2 2 389.334 2.267 20 0 GEADLP Cc1nn(C)c(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1Br ZINC000279231245 646586108 /nfs/dbraw/zinc/58/61/08/646586108.db2.gz YRPLHOCCCDCNQD-INIZCTEOSA-N 2 2 393.329 2.347 20 0 GEADLP Cc1nn(C)c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1Br ZINC000279231245 646586112 /nfs/dbraw/zinc/58/61/12/646586112.db2.gz YRPLHOCCCDCNQD-INIZCTEOSA-N 2 2 393.329 2.347 20 0 GEADLP O[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)COc1ccc(Cl)cc1Cl ZINC000325859292 647304055 /nfs/dbraw/zinc/30/40/55/647304055.db2.gz XQDKFAKTGTVMHH-ZNMIVQPWSA-N 2 2 375.296 2.186 20 0 GEADLP O[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)COc1ccc(Cl)cc1Cl ZINC000325859292 647304059 /nfs/dbraw/zinc/30/40/59/647304059.db2.gz XQDKFAKTGTVMHH-ZNMIVQPWSA-N 2 2 375.296 2.186 20 0 GEADLP COc1ccc(Br)c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000362709214 647572090 /nfs/dbraw/zinc/57/20/90/647572090.db2.gz DBCWDMPCSJNJTG-CYBMUJFWSA-N 2 2 396.329 2.356 20 0 GEADLP COc1ccc(Br)c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000362709214 647572093 /nfs/dbraw/zinc/57/20/93/647572093.db2.gz DBCWDMPCSJNJTG-CYBMUJFWSA-N 2 2 396.329 2.356 20 0 GEADLP CCn1cc(Br)cc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369264033 647774649 /nfs/dbraw/zinc/77/46/49/647774649.db2.gz AAINTGGBORZTAF-AWEZNQCLSA-N 2 2 383.334 2.169 20 0 GEADLP CCn1cc(Br)cc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369264033 647774654 /nfs/dbraw/zinc/77/46/54/647774654.db2.gz AAINTGGBORZTAF-AWEZNQCLSA-N 2 2 383.334 2.169 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3C[NH2+]CC[C@H]3C)[nH+]c12 ZINC000418015870 648269986 /nfs/dbraw/zinc/26/99/86/648269986.db2.gz FFDUXZIBVKSWSJ-IAQYHMDHSA-N 2 2 394.317 2.245 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3CCC[C@@H]([NH3+])C3)[nH+]c12 ZINC000418028733 648272324 /nfs/dbraw/zinc/27/23/24/648272324.db2.gz YSRFZTOIPBQLCT-CYBMUJFWSA-N 2 2 380.290 2.080 20 0 GEADLP Brc1ccc(N2CC[C@H]([NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000422702817 648573600 /nfs/dbraw/zinc/57/36/00/648573600.db2.gz FZEXUYPMIMMYNX-CGTJXYLNSA-N 2 2 380.330 2.384 20 0 GEADLP Brc1ccc2nc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)cn2c1 ZINC000422737425 648574004 /nfs/dbraw/zinc/57/40/04/648574004.db2.gz ZMDHZVBQGAJUTA-OWCLPIDISA-N 2 2 379.302 2.344 20 0 GEADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000422995830 648580300 /nfs/dbraw/zinc/58/03/00/648580300.db2.gz ZLEUCKHPHRLPCB-PBHICJAKSA-N 2 2 398.345 2.142 20 0 GEADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000423112371 648581513 /nfs/dbraw/zinc/58/15/13/648581513.db2.gz XHRUTITUNGCPQG-UONOGXRCSA-N 2 2 387.265 2.479 20 0 GEADLP Cc1ccc(C[C@H](CO)C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)cc1Br ZINC000423149864 648584418 /nfs/dbraw/zinc/58/44/18/648584418.db2.gz BBDYFCLDKIZYOK-PVAVHDDUSA-N 2 2 385.346 2.265 20 0 GEADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000551819057 651133742 /nfs/dbraw/zinc/13/37/42/651133742.db2.gz YBBKOUAKRWMMQU-BXUZGUMPSA-N 2 2 387.265 2.160 20 0 GEADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000551819057 651133743 /nfs/dbraw/zinc/13/37/43/651133743.db2.gz YBBKOUAKRWMMQU-BXUZGUMPSA-N 2 2 387.265 2.160 20 0 GEADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000555548007 651228630 /nfs/dbraw/zinc/22/86/30/651228630.db2.gz ZFHVYJSSIZXBPF-YOEHRIQHSA-N 2 2 380.330 2.236 20 0 GEADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000555548007 651228632 /nfs/dbraw/zinc/22/86/32/651228632.db2.gz ZFHVYJSSIZXBPF-YOEHRIQHSA-N 2 2 380.330 2.236 20 0 GEADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1Cc1ccccc1Br ZINC000568649984 651674549 /nfs/dbraw/zinc/67/45/49/651674549.db2.gz QHFNLAMROZHOTH-DLBZAZTESA-N 2 2 385.346 2.395 20 0 GEADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1Cc1ccccc1Br ZINC000568649984 651674554 /nfs/dbraw/zinc/67/45/54/651674554.db2.gz QHFNLAMROZHOTH-DLBZAZTESA-N 2 2 385.346 2.395 20 0 GEADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000568649984 651674559 /nfs/dbraw/zinc/67/45/59/651674559.db2.gz QHFNLAMROZHOTH-DLBZAZTESA-N 2 2 385.346 2.395 20 0 GEADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000568649984 651674562 /nfs/dbraw/zinc/67/45/62/651674562.db2.gz QHFNLAMROZHOTH-DLBZAZTESA-N 2 2 385.346 2.395 20 0 GEADLP CC[C@H]1C[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000647937920 651767126 /nfs/dbraw/zinc/76/71/26/651767126.db2.gz DWESHDNLHGFRLE-WMLDXEAASA-N 2 2 398.345 2.346 20 0 GEADLP CC[C@H]1C[N@@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000647937920 651767134 /nfs/dbraw/zinc/76/71/34/651767134.db2.gz DWESHDNLHGFRLE-WMLDXEAASA-N 2 2 398.345 2.346 20 0 GEADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000647970499 651768028 /nfs/dbraw/zinc/76/80/28/651768028.db2.gz SZADZLINWBTFKU-JSGCOSHPSA-N 2 2 375.307 2.047 20 0 GEADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000647970499 651768030 /nfs/dbraw/zinc/76/80/30/651768030.db2.gz SZADZLINWBTFKU-JSGCOSHPSA-N 2 2 375.307 2.047 20 0 GEADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000651208652 651876141 /nfs/dbraw/zinc/87/61/41/651876141.db2.gz ZSZVXDKMBUHBBD-QGZVFWFLSA-N 2 2 380.330 2.134 20 0 GEADLP COc1cc(C)c(Br)cc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764188 651971528 /nfs/dbraw/zinc/97/15/28/651971528.db2.gz MBOWGKZGBYEDCT-UHFFFAOYSA-N 2 2 386.334 2.379 20 0 GEADLP COc1cc(C)c(Br)cc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764188 651971536 /nfs/dbraw/zinc/97/15/36/651971536.db2.gz MBOWGKZGBYEDCT-UHFFFAOYSA-N 2 2 386.334 2.379 20 0 GEADLP Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000742733827 651999190 /nfs/dbraw/zinc/99/91/90/651999190.db2.gz BIRKSNUYSSHVNU-HUUCEWRRSA-N 2 2 388.965 2.024 20 0 GEADLP Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000742733827 651999194 /nfs/dbraw/zinc/99/91/94/651999194.db2.gz BIRKSNUYSSHVNU-HUUCEWRRSA-N 2 2 388.965 2.024 20 0 GEADLP CCCOc1c(Br)cc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cc1OC ZINC000574878219 652049035 /nfs/dbraw/zinc/04/90/35/652049035.db2.gz QEPDSWXKGIBUNC-AWEZNQCLSA-N 2 2 386.334 2.321 20 0 GEADLP CCCOc1c(Br)cc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1OC ZINC000574878219 652049042 /nfs/dbraw/zinc/04/90/42/652049042.db2.gz QEPDSWXKGIBUNC-AWEZNQCLSA-N 2 2 386.334 2.321 20 0 GEADLP CN(C(=O)c1ccc(Br)nc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000746603124 652116644 /nfs/dbraw/zinc/11/66/44/652116644.db2.gz HUBDOWWXPOJBPD-HNNXBMFYSA-N 2 2 381.318 2.085 20 0 GEADLP CN(C(=O)c1ccc(Br)nc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000746603124 652116652 /nfs/dbraw/zinc/11/66/52/652116652.db2.gz HUBDOWWXPOJBPD-HNNXBMFYSA-N 2 2 381.318 2.085 20 0 GEADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000578244748 652256249 /nfs/dbraw/zinc/25/62/49/652256249.db2.gz IFILUNCKNJXPCN-OLZOCXBDSA-N 2 2 381.464 2.280 20 0 GEADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000578244748 652256258 /nfs/dbraw/zinc/25/62/58/652256258.db2.gz IFILUNCKNJXPCN-OLZOCXBDSA-N 2 2 381.464 2.280 20 0 GEADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000578244748 652256264 /nfs/dbraw/zinc/25/62/64/652256264.db2.gz IFILUNCKNJXPCN-OLZOCXBDSA-N 2 2 381.464 2.280 20 0 GEADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000578244748 652256271 /nfs/dbraw/zinc/25/62/71/652256271.db2.gz IFILUNCKNJXPCN-OLZOCXBDSA-N 2 2 381.464 2.280 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(O)cc(Br)c3)C2)CC1 ZINC000625521756 652352137 /nfs/dbraw/zinc/35/21/37/652352137.db2.gz HPSRVUNQUGLRDN-AWEZNQCLSA-N 2 2 382.302 2.053 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc(O)cc(Br)c3)C2)CC1 ZINC000625521756 652352141 /nfs/dbraw/zinc/35/21/41/652352141.db2.gz HPSRVUNQUGLRDN-AWEZNQCLSA-N 2 2 382.302 2.053 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N(C)CC(C)(C)[NH3+])[nH+]c12 ZINC000659480084 652359096 /nfs/dbraw/zinc/35/90/96/652359096.db2.gz DTMIMXPTMBVHLA-UHFFFAOYSA-N 2 2 382.306 2.326 20 0 GEADLP C[NH2+][C@@H](C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)c1cccc(Cl)c1Cl ZINC000662479125 652463413 /nfs/dbraw/zinc/46/34/13/652463413.db2.gz COVDIODQHAJJNQ-CXAGYDPISA-N 2 2 387.355 2.254 20 0 GEADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Br)cc2)CC12CCOCC2 ZINC000582846335 652463979 /nfs/dbraw/zinc/46/39/79/652463979.db2.gz JEDQGQLYMSIMBI-CYBMUJFWSA-N 2 2 382.302 2.075 20 0 GEADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cc2)CC12CCOCC2 ZINC000582846335 652463984 /nfs/dbraw/zinc/46/39/84/652463984.db2.gz JEDQGQLYMSIMBI-CYBMUJFWSA-N 2 2 382.302 2.075 20 0 GEADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+]([C@@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000629593204 652494612 /nfs/dbraw/zinc/49/46/12/652494612.db2.gz IIRMEXHDKUFCMM-NXHRZFHOSA-N 2 2 378.314 2.486 20 0 GEADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+]([C@@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000629593204 652494614 /nfs/dbraw/zinc/49/46/14/652494614.db2.gz IIRMEXHDKUFCMM-NXHRZFHOSA-N 2 2 378.314 2.486 20 0 GEADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888252 652538296 /nfs/dbraw/zinc/53/82/96/652538296.db2.gz XQQSYOPCKLYVCI-RHSMWYFYSA-N 2 2 380.330 2.481 20 0 GEADLP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888252 652538297 /nfs/dbraw/zinc/53/82/97/652538297.db2.gz XQQSYOPCKLYVCI-RHSMWYFYSA-N 2 2 380.330 2.481 20 0 GEADLP C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1nc(C(F)(F)F)cs1 ZINC000664776051 652538395 /nfs/dbraw/zinc/53/83/95/652538395.db2.gz XCUSZKSJSXQARF-NSHDSACASA-N 2 2 381.468 2.406 20 0 GEADLP C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1nc(C(F)(F)F)cs1 ZINC000664776051 652538396 /nfs/dbraw/zinc/53/83/96/652538396.db2.gz XCUSZKSJSXQARF-NSHDSACASA-N 2 2 381.468 2.406 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000763070291 652735595 /nfs/dbraw/zinc/73/55/95/652735595.db2.gz ZKFFBGOANCTMTJ-ZACQAIPSSA-N 2 2 386.631 2.033 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000763070291 652735600 /nfs/dbraw/zinc/73/56/00/652735600.db2.gz ZKFFBGOANCTMTJ-ZACQAIPSSA-N 2 2 386.631 2.033 20 0 GEADLP O=C(NCC[NH2+]C1CC1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000637316701 652851296 /nfs/dbraw/zinc/85/12/96/652851296.db2.gz FNKPPGCIDMBHQG-UHFFFAOYSA-N 2 2 396.289 2.202 20 0 GEADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000637887703 652876627 /nfs/dbraw/zinc/87/66/27/652876627.db2.gz XTYDPTZVUVPABB-UHFFFAOYSA-N 2 2 390.347 2.013 20 0 GEADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000637887703 652876631 /nfs/dbraw/zinc/87/66/31/652876631.db2.gz XTYDPTZVUVPABB-UHFFFAOYSA-N 2 2 390.347 2.013 20 0 GEADLP COc1nsc(C[NH2+]CCCCN2CC[NH+](C)CC2)c1Br ZINC000638360048 652887110 /nfs/dbraw/zinc/88/71/10/652887110.db2.gz NHMIVDQJCJZHGF-UHFFFAOYSA-N 2 2 377.352 2.031 20 0 GEADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cnn3cc(Br)cnc23)CCCO1 ZINC000639120030 652920192 /nfs/dbraw/zinc/92/01/92/652920192.db2.gz LAMGPMXATMYMNN-CYBMUJFWSA-N 2 2 382.306 2.082 20 0 GEADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cnn3cc(Br)cnc23)CCCO1 ZINC000639120030 652920193 /nfs/dbraw/zinc/92/01/93/652920193.db2.gz LAMGPMXATMYMNN-CYBMUJFWSA-N 2 2 382.306 2.082 20 0 GEADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000639765066 652952610 /nfs/dbraw/zinc/95/26/10/652952610.db2.gz IFLBQTVBWVGDLF-DYVFJYSZSA-N 2 2 377.312 2.122 20 0 GEADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000639765066 652952612 /nfs/dbraw/zinc/95/26/12/652952612.db2.gz IFLBQTVBWVGDLF-DYVFJYSZSA-N 2 2 377.312 2.122 20 0 GEADLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000639765070 652952658 /nfs/dbraw/zinc/95/26/58/652952658.db2.gz IFLBQTVBWVGDLF-SUMWQHHRSA-N 2 2 377.312 2.122 20 0 GEADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000639765070 652952662 /nfs/dbraw/zinc/95/26/62/652952662.db2.gz IFLBQTVBWVGDLF-SUMWQHHRSA-N 2 2 377.312 2.122 20 0 GEADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC1 ZINC000679336320 653144345 /nfs/dbraw/zinc/14/43/45/653144345.db2.gz LHPKBUAXEDLCBM-SJLPKXTDSA-N 2 2 396.329 2.033 20 0 GEADLP CS[C@@H]1CN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C[C@H]1[NH+]1CCCC1 ZINC000602135647 653149797 /nfs/dbraw/zinc/14/97/97/653149797.db2.gz LICNNSJJBBZEFU-MGPQQGTHSA-N 2 2 376.448 2.415 20 0 GEADLP COC(=O)c1ccc(C[NH2+]CCC[NH+]2CCC(O)CC2)cc1Br ZINC000876965328 653456547 /nfs/dbraw/zinc/45/65/47/653456547.db2.gz BRYKVEROJKPIGC-UHFFFAOYSA-N 2 2 385.302 2.172 20 0 GEADLP C[C@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@H]1CCCC[NH2+]1 ZINC000817918223 653722619 /nfs/dbraw/zinc/72/26/19/653722619.db2.gz XCKPTIQQRCSFPQ-SWLSCSKDSA-N 2 2 380.432 2.479 20 0 GEADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000796287459 653995099 /nfs/dbraw/zinc/99/50/99/653995099.db2.gz ANDLJTWJGBTXQU-LBPRGKRZSA-N 2 2 384.311 2.318 20 0 GEADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000796287459 653995103 /nfs/dbraw/zinc/99/51/03/653995103.db2.gz ANDLJTWJGBTXQU-LBPRGKRZSA-N 2 2 384.311 2.318 20 0 GEADLP c1cn(Cc2nc(-c3cn(CCC[NH+]4CCSCC4)nn3)cs2)c[nH+]1 ZINC000887531462 654038119 /nfs/dbraw/zinc/03/81/19/654038119.db2.gz PHYWPIRZSAPMMO-UHFFFAOYSA-N 2 2 375.527 2.085 20 0 GEADLP C[NH+](C)C[C@H](NC(=S)NCCC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000802720718 654236280 /nfs/dbraw/zinc/23/62/80/654236280.db2.gz LOWDDEYJHKVTJW-KRWDZBQOSA-N 2 2 384.977 2.129 20 0 GEADLP Cc1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cc1Cl ZINC000903560928 654256099 /nfs/dbraw/zinc/25/60/99/654256099.db2.gz AAJYLKHUCCVFNW-IYBDPMFKSA-N 2 2 383.945 2.238 20 0 GEADLP Cc1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cc1Cl ZINC000903560928 654256103 /nfs/dbraw/zinc/25/61/03/654256103.db2.gz AAJYLKHUCCVFNW-IYBDPMFKSA-N 2 2 383.945 2.238 20 0 GEADLP O=S1(=O)CCC[C@@]2(C(F)(F)F)C[N@H+](Cc3cc4c(s3)CC[NH2+]C4)C[C@H]21 ZINC000904476352 654312112 /nfs/dbraw/zinc/31/21/12/654312112.db2.gz QPIJFRSRMHQOSR-HUUCEWRRSA-N 2 2 394.484 2.335 20 0 GEADLP O=S1(=O)CCC[C@@]2(C(F)(F)F)C[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C[C@H]21 ZINC000904476352 654312115 /nfs/dbraw/zinc/31/21/15/654312115.db2.gz QPIJFRSRMHQOSR-HUUCEWRRSA-N 2 2 394.484 2.335 20 0 GEADLP Oc1cc(Br)cnc1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000893030372 654376489 /nfs/dbraw/zinc/37/64/89/654376489.db2.gz NBZFZTVELARMNE-GOSISDBHSA-N 2 2 392.297 2.276 20 0 GEADLP Oc1cc(Br)cnc1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000893030372 654376495 /nfs/dbraw/zinc/37/64/95/654376495.db2.gz NBZFZTVELARMNE-GOSISDBHSA-N 2 2 392.297 2.276 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1nc(Br)sc1C1CC1 ZINC000855414791 654418194 /nfs/dbraw/zinc/41/81/94/654418194.db2.gz MHXKUXGKXMKCDE-UHFFFAOYSA-N 2 2 389.363 2.396 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1nc(Br)sc1C1CC1 ZINC000855414791 654418195 /nfs/dbraw/zinc/41/81/95/654418195.db2.gz MHXKUXGKXMKCDE-UHFFFAOYSA-N 2 2 389.363 2.396 20 0 GEADLP COC(=O)c1cnc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000894140905 654449587 /nfs/dbraw/zinc/44/95/87/654449587.db2.gz COQAQWDWCXMRMT-CYBMUJFWSA-N 2 2 380.539 2.070 20 0 GEADLP Cn1nc(Br)nc1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000894309242 654464119 /nfs/dbraw/zinc/46/41/19/654464119.db2.gz IKIIOJLXBGPUAE-UHFFFAOYSA-N 2 2 393.333 2.402 20 0 GEADLP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(Br)n1 ZINC000925020138 654531867 /nfs/dbraw/zinc/53/18/67/654531867.db2.gz OEFSYUCHSROZFK-ZDUSSCGKSA-N 2 2 383.334 2.437 20 0 GEADLP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)S(=O)(=O)CCn3cc[nH+]c3)C2)s1 ZINC000907345858 654534259 /nfs/dbraw/zinc/53/42/59/654534259.db2.gz KIUGGBCIXPGONK-INIZCTEOSA-N 2 2 382.555 2.037 20 0 GEADLP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)S(=O)(=O)CCn3cc[nH+]c3)C2)s1 ZINC000907345858 654534261 /nfs/dbraw/zinc/53/42/61/654534261.db2.gz KIUGGBCIXPGONK-INIZCTEOSA-N 2 2 382.555 2.037 20 0 GEADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2c2cncc(Br)c2)CC1 ZINC000932248738 654772236 /nfs/dbraw/zinc/77/22/36/654772236.db2.gz JJWAKNTVZYNVOJ-MRXNPFEDSA-N 2 2 381.318 2.145 20 0 GEADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2c2cncc(Br)c2)CC1 ZINC000932248738 654772238 /nfs/dbraw/zinc/77/22/38/654772238.db2.gz JJWAKNTVZYNVOJ-MRXNPFEDSA-N 2 2 381.318 2.145 20 0 GEADLP Cc1ccc(Br)c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000932622076 654783802 /nfs/dbraw/zinc/78/38/02/654783802.db2.gz PNIYIMUNQRRFLZ-CYBMUJFWSA-N 2 2 381.318 2.051 20 0 GEADLP Cc1ccc(Br)c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000932622076 654783803 /nfs/dbraw/zinc/78/38/03/654783803.db2.gz PNIYIMUNQRRFLZ-CYBMUJFWSA-N 2 2 381.318 2.051 20 0 GEADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@](O)(c2ccc(Br)cc2)C1)C1CC1 ZINC000932819440 654792190 /nfs/dbraw/zinc/79/21/90/654792190.db2.gz WZQMNWNRVBPPEH-ZWKOTPCHSA-N 2 2 383.330 2.188 20 0 GEADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@](O)(c2ccc(Br)cc2)C1)C1CC1 ZINC000932819440 654792193 /nfs/dbraw/zinc/79/21/93/654792193.db2.gz WZQMNWNRVBPPEH-ZWKOTPCHSA-N 2 2 383.330 2.188 20 0 GEADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1)C1CC1 ZINC000932819440 654792196 /nfs/dbraw/zinc/79/21/96/654792196.db2.gz WZQMNWNRVBPPEH-ZWKOTPCHSA-N 2 2 383.330 2.188 20 0 GEADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1)C1CC1 ZINC000932819440 654792199 /nfs/dbraw/zinc/79/21/99/654792199.db2.gz WZQMNWNRVBPPEH-ZWKOTPCHSA-N 2 2 383.330 2.188 20 0 GEADLP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C[C@]2(C)C1 ZINC000933732615 654822269 /nfs/dbraw/zinc/82/22/69/654822269.db2.gz UYFXSDOONRQZFZ-SKDZVZGDSA-N 2 2 378.314 2.438 20 0 GEADLP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C[C@]2(C)C1 ZINC000933732615 654822272 /nfs/dbraw/zinc/82/22/72/654822272.db2.gz UYFXSDOONRQZFZ-SKDZVZGDSA-N 2 2 378.314 2.438 20 0 GEADLP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C[C@]2(C)C1 ZINC000933732615 654822273 /nfs/dbraw/zinc/82/22/73/654822273.db2.gz UYFXSDOONRQZFZ-SKDZVZGDSA-N 2 2 378.314 2.438 20 0 GEADLP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C[C@]2(C)C1 ZINC000933732615 654822275 /nfs/dbraw/zinc/82/22/75/654822275.db2.gz UYFXSDOONRQZFZ-SKDZVZGDSA-N 2 2 378.314 2.438 20 0 GEADLP CN([C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CC1(F)CC1 ZINC000914289533 654842231 /nfs/dbraw/zinc/84/22/31/654842231.db2.gz PZYGIUFPNOZYKS-IAGOWNOFSA-N 2 2 375.554 2.087 20 0 GEADLP CN([C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CC1(F)CC1 ZINC000914289533 654842235 /nfs/dbraw/zinc/84/22/35/654842235.db2.gz PZYGIUFPNOZYKS-IAGOWNOFSA-N 2 2 375.554 2.087 20 0 GEADLP c1cn(Cc2noc3c2CN(c2cccc(OCC[NH+]4CCCC4)n2)CC3)c[nH+]1 ZINC001164677199 719564567 /nfs/dbraw/zinc/56/45/67/719564567.db2.gz LFTNTSNVDCSKLA-UHFFFAOYSA-N 2 2 394.479 2.352 20 0 GEADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N(C)C)[nH+]cn1)CC2 ZINC001164710013 720093743 /nfs/dbraw/zinc/09/37/43/720093743.db2.gz FKUWDRAWJCLGCL-LJQANCHMSA-N 2 2 396.539 2.445 20 0 GEADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N(C)C)[nH+]cn1)CC2 ZINC001164710013 720093746 /nfs/dbraw/zinc/09/37/46/720093746.db2.gz FKUWDRAWJCLGCL-LJQANCHMSA-N 2 2 396.539 2.445 20 0 GEADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N(C)C)nc[nH+]1)CC2 ZINC001164710013 720093753 /nfs/dbraw/zinc/09/37/53/720093753.db2.gz FKUWDRAWJCLGCL-LJQANCHMSA-N 2 2 396.539 2.445 20 0 GEADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N(C)C)nc[nH+]1)CC2 ZINC001164710013 720093757 /nfs/dbraw/zinc/09/37/57/720093757.db2.gz FKUWDRAWJCLGCL-LJQANCHMSA-N 2 2 396.539 2.445 20 0 GEADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(C)cc[nH+]4)CC3)C2=O)cs1 ZINC001164828411 720356896 /nfs/dbraw/zinc/35/68/96/720356896.db2.gz OULPQWULOOIHIR-UHFFFAOYSA-N 2 2 385.537 2.468 20 0 GEADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(C)cc[nH+]4)CC3)C2=O)cs1 ZINC001164828411 720356901 /nfs/dbraw/zinc/35/69/01/720356901.db2.gz OULPQWULOOIHIR-UHFFFAOYSA-N 2 2 385.537 2.468 20 0 GEADLP CCOC(=O)c1c(C)cc(N2CC[C@H]3C[N@H+](CCOC)CCO[C@H]3C2)[nH+]c1C ZINC001164857460 720861603 /nfs/dbraw/zinc/86/16/03/720861603.db2.gz QWIHLCPIYJZJAE-ROUUACIJSA-N 2 2 391.512 2.049 20 0 GEADLP CCOC(=O)c1c(C)cc(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@H]3C2)[nH+]c1C ZINC001164857460 720861604 /nfs/dbraw/zinc/86/16/04/720861604.db2.gz QWIHLCPIYJZJAE-ROUUACIJSA-N 2 2 391.512 2.049 20 0 GEADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c12 ZINC001164782154 721398855 /nfs/dbraw/zinc/39/88/55/721398855.db2.gz DSYURTRBZYWTKR-BETUJISGSA-N 2 2 398.492 2.159 20 0 GEADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c12 ZINC001164782154 721398859 /nfs/dbraw/zinc/39/88/59/721398859.db2.gz DSYURTRBZYWTKR-BETUJISGSA-N 2 2 398.492 2.159 20 0 GEADLP COCCn1ccc2c1nc[nH+]c2N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164788112 721413149 /nfs/dbraw/zinc/41/31/49/721413149.db2.gz QXFLUDMUDJMOCG-GASCZTMLSA-N 2 2 384.509 2.102 20 0 GEADLP COCCn1ccc2c1nc[nH+]c2N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164788112 721413150 /nfs/dbraw/zinc/41/31/50/721413150.db2.gz QXFLUDMUDJMOCG-GASCZTMLSA-N 2 2 384.509 2.102 20 0 GEADLP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4nc(N5CCCC5)cc[nH+]4)CC[C@@H]3C2)c1 ZINC001164981378 722099132 /nfs/dbraw/zinc/09/91/32/722099132.db2.gz LFJQBKCDONXIPJ-UXHICEINSA-N 2 2 394.523 2.199 20 0 GEADLP c1cncc(C[N@H+]2CCO[C@H]3CN(c4nc(N5CCCC5)cc[nH+]4)CC[C@@H]3C2)c1 ZINC001164981378 722099134 /nfs/dbraw/zinc/09/91/34/722099134.db2.gz LFJQBKCDONXIPJ-UXHICEINSA-N 2 2 394.523 2.199 20 0 GEADLP COc1cc(NCc2cnc(N3CC[NH+](C)CC3)nc2)[nH+]cc1Br ZINC000537353358 531458818 /nfs/dbraw/zinc/45/88/18/531458818.db2.gz SFHSHCYYNRBXPC-UHFFFAOYSA-N 2 2 393.289 2.007 20 0 GEADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000151788656 531521663 /nfs/dbraw/zinc/52/16/63/531521663.db2.gz COSDDWBWPRQDST-KSSFIOAISA-N 2 2 393.329 2.043 20 0 GEADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000151788656 531521668 /nfs/dbraw/zinc/52/16/68/531521668.db2.gz COSDDWBWPRQDST-KSSFIOAISA-N 2 2 393.329 2.043 20 0 GEADLP Cc1[nH+]ccn1CC[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000077120878 531918569 /nfs/dbraw/zinc/91/85/69/531918569.db2.gz NQNURDFWHGSZRV-UHFFFAOYSA-N 2 2 377.286 2.412 20 0 GEADLP C[NH+]1CCN([C@H]2CCCC[N@H+](CC(=O)NCc3ccc(Cl)s3)C2)CC1 ZINC000174898273 532082004 /nfs/dbraw/zinc/08/20/04/532082004.db2.gz XYLBFYUHFMTHRU-HNNXBMFYSA-N 2 2 384.977 2.120 20 0 GEADLP C[NH+]1CCN([C@H]2CCCC[N@@H+](CC(=O)NCc3ccc(Cl)s3)C2)CC1 ZINC000174898273 532082012 /nfs/dbraw/zinc/08/20/12/532082012.db2.gz XYLBFYUHFMTHRU-HNNXBMFYSA-N 2 2 384.977 2.120 20 0 GEADLP C[NH+]1CCC(CNC(=O)NC[C@@H]2CSCCS2)([NH+]2CCCCC2)CC1 ZINC000176556700 532141005 /nfs/dbraw/zinc/14/10/05/532141005.db2.gz IQSLJURFCHKZOD-MRXNPFEDSA-N 2 2 386.631 2.085 20 0 GEADLP O[C@@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129118970 532172945 /nfs/dbraw/zinc/17/29/45/532172945.db2.gz SCXIGZNJNOEKGJ-HUUCEWRRSA-N 2 2 389.323 2.387 20 0 GEADLP O[C@@H](COc1c(Cl)cccc1Cl)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129118970 532172949 /nfs/dbraw/zinc/17/29/49/532172949.db2.gz SCXIGZNJNOEKGJ-HUUCEWRRSA-N 2 2 389.323 2.387 20 0 GEADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000177487628 532173411 /nfs/dbraw/zinc/17/34/11/532173411.db2.gz PURQLFHAXWPFQX-KRWDZBQOSA-N 2 2 398.345 2.455 20 0 GEADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180961051 532286663 /nfs/dbraw/zinc/28/66/63/532286663.db2.gz JMSXWBVDULXEFM-UHFFFAOYSA-N 2 2 386.993 2.318 20 0 GEADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180961051 532286668 /nfs/dbraw/zinc/28/66/68/532286668.db2.gz JMSXWBVDULXEFM-UHFFFAOYSA-N 2 2 386.993 2.318 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000180961051 532286673 /nfs/dbraw/zinc/28/66/73/532286673.db2.gz JMSXWBVDULXEFM-UHFFFAOYSA-N 2 2 386.993 2.318 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000180961051 532286675 /nfs/dbraw/zinc/28/66/75/532286675.db2.gz JMSXWBVDULXEFM-UHFFFAOYSA-N 2 2 386.993 2.318 20 0 GEADLP C[C@H](C(=O)Nc1ccccc1Br)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182954930 532320190 /nfs/dbraw/zinc/32/01/90/532320190.db2.gz GOBOMFNRFZXMOE-OAHLLOKOSA-N 2 2 397.361 2.345 20 0 GEADLP C[C@H](C(=O)Nc1ccccc1Br)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182954930 532320191 /nfs/dbraw/zinc/32/01/91/532320191.db2.gz GOBOMFNRFZXMOE-OAHLLOKOSA-N 2 2 397.361 2.345 20 0 GEADLP C[C@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)CC[N@@H+]1CC(C)(C)O ZINC000188893016 532350037 /nfs/dbraw/zinc/35/00/37/532350037.db2.gz BDRUWRUCLGNYOO-ZDUSSCGKSA-N 2 2 381.318 2.374 20 0 GEADLP C[C@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)CC[N@H+]1CC(C)(C)O ZINC000188893016 532350038 /nfs/dbraw/zinc/35/00/38/532350038.db2.gz BDRUWRUCLGNYOO-ZDUSSCGKSA-N 2 2 381.318 2.374 20 0 GEADLP CN([C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCCCF ZINC000557432930 532364281 /nfs/dbraw/zinc/36/42/81/532364281.db2.gz VMXVIBAUQGHKAT-ROUUACIJSA-N 2 2 377.570 2.335 20 0 GEADLP CN([C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCCCF ZINC000557432930 532364286 /nfs/dbraw/zinc/36/42/86/532364286.db2.gz VMXVIBAUQGHKAT-ROUUACIJSA-N 2 2 377.570 2.335 20 0 GEADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[NH+]1CCC(O)CC1 ZINC000294848778 532387060 /nfs/dbraw/zinc/38/70/60/532387060.db2.gz NFSRYXHKBFLCCH-ZDUSSCGKSA-N 2 2 384.318 2.213 20 0 GEADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCc2ccc(Br)s2)C[C@H](C)O1 ZINC000517358702 532415722 /nfs/dbraw/zinc/41/57/22/532415722.db2.gz KSLOQXRYRDEVIE-FRRDWIJNSA-N 2 2 377.348 2.113 20 0 GEADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCc2ccc(Br)s2)C[C@H](C)O1 ZINC000517358702 532415727 /nfs/dbraw/zinc/41/57/27/532415727.db2.gz KSLOQXRYRDEVIE-FRRDWIJNSA-N 2 2 377.348 2.113 20 0 GEADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428029929 532441540 /nfs/dbraw/zinc/44/15/40/532441540.db2.gz GELXLWSDYVWLLW-LALPHHSUSA-N 2 2 399.276 2.302 20 0 GEADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428029929 532441545 /nfs/dbraw/zinc/44/15/45/532441545.db2.gz GELXLWSDYVWLLW-LALPHHSUSA-N 2 2 399.276 2.302 20 0 GEADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000519608396 532470555 /nfs/dbraw/zinc/47/05/55/532470555.db2.gz NFQSWQFIVWRAIM-GJZGRUSLSA-N 2 2 377.312 2.170 20 0 GEADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000519608396 532470562 /nfs/dbraw/zinc/47/05/62/532470562.db2.gz NFQSWQFIVWRAIM-GJZGRUSLSA-N 2 2 377.312 2.170 20 0 GEADLP Cc1cc(Br)cn2cc(CC[NH2+]C[C@H]3CNc4ccnn4C3)[nH+]c12 ZINC000684200700 532471643 /nfs/dbraw/zinc/47/16/43/532471643.db2.gz LDBFMWLDHMAPPL-ZDUSSCGKSA-N 2 2 389.301 2.476 20 0 GEADLP COCC[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000562811274 532485475 /nfs/dbraw/zinc/48/54/75/532485475.db2.gz HRQPKIBHYWZLSW-BBRMVZONSA-N 2 2 389.327 2.355 20 0 GEADLP COCC[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000562811274 532485479 /nfs/dbraw/zinc/48/54/79/532485479.db2.gz HRQPKIBHYWZLSW-BBRMVZONSA-N 2 2 389.327 2.355 20 0 GEADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2ncc(Br)cc2Cl)C1 ZINC000631065031 532543006 /nfs/dbraw/zinc/54/30/06/532543006.db2.gz SJXPUIMABRVLNA-NSHDSACASA-N 2 2 389.725 2.175 20 0 GEADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2ncc(Br)cc2Cl)C1 ZINC000631065031 532543009 /nfs/dbraw/zinc/54/30/09/532543009.db2.gz SJXPUIMABRVLNA-NSHDSACASA-N 2 2 389.725 2.175 20 0 GEADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1 ZINC000653068962 532529096 /nfs/dbraw/zinc/52/90/96/532529096.db2.gz YLXZZMPKYFJEER-SNVBAGLBSA-N 2 2 376.404 2.455 20 0 GEADLP Cc1cc(Br)cn2cc(C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)nc12 ZINC000564825514 532532210 /nfs/dbraw/zinc/53/22/10/532532210.db2.gz MJVNFCUAEHZHMO-HZPDHXFCSA-N 2 2 379.302 2.262 20 0 GEADLP Cc1[nH+]c2c(n1CCO)CC[C@H](Nc1nc(C)[nH+]c(C)c1Br)C2 ZINC000631331009 532554359 /nfs/dbraw/zinc/55/43/59/532554359.db2.gz ZUIUUCABPCTMJL-LBPRGKRZSA-N 2 2 380.290 2.323 20 0 GEADLP C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(Br)cc1C[NH+]1C[C@@H](O)C[C@@H]1C ZINC000433240990 532559407 /nfs/dbraw/zinc/55/94/07/532559407.db2.gz AMLUIELGWWLLQB-QISBLDNZSA-N 2 2 383.330 2.359 20 0 GEADLP C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(Br)cc1C[NH+]1C[C@@H](O)C[C@@H]1C ZINC000433240990 532559416 /nfs/dbraw/zinc/55/94/16/532559416.db2.gz AMLUIELGWWLLQB-QISBLDNZSA-N 2 2 383.330 2.359 20 0 GEADLP C[C@@H]1C[C@H](O)C[NH+]1Cc1ccc(Br)cc1C[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000433240990 532559421 /nfs/dbraw/zinc/55/94/21/532559421.db2.gz AMLUIELGWWLLQB-QISBLDNZSA-N 2 2 383.330 2.359 20 0 GEADLP C[C@@H]1C[C@H](O)C[NH+]1Cc1ccc(Br)cc1C[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000433240990 532559425 /nfs/dbraw/zinc/55/94/25/532559425.db2.gz AMLUIELGWWLLQB-QISBLDNZSA-N 2 2 383.330 2.359 20 0 GEADLP C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(Br)cc1C[NH+]1C[C@H](O)C[C@@H]1C ZINC000433240993 532559460 /nfs/dbraw/zinc/55/94/60/532559460.db2.gz AMLUIELGWWLLQB-XLQHLMKVSA-N 2 2 383.330 2.359 20 0 GEADLP C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(Br)cc1C[NH+]1C[C@H](O)C[C@@H]1C ZINC000433240993 532559465 /nfs/dbraw/zinc/55/94/65/532559465.db2.gz AMLUIELGWWLLQB-XLQHLMKVSA-N 2 2 383.330 2.359 20 0 GEADLP C[C@@H]1C[C@H](O)C[NH+]1Cc1ccc(Br)cc1C[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000433240993 532559470 /nfs/dbraw/zinc/55/94/70/532559470.db2.gz AMLUIELGWWLLQB-XLQHLMKVSA-N 2 2 383.330 2.359 20 0 GEADLP C[C@@H]1C[C@H](O)C[NH+]1Cc1ccc(Br)cc1C[N@H+]1C[C@H](O)C[C@@H]1C ZINC000433240993 532559479 /nfs/dbraw/zinc/55/94/79/532559479.db2.gz AMLUIELGWWLLQB-XLQHLMKVSA-N 2 2 383.330 2.359 20 0 GEADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2ncc(Br)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000631822479 532563922 /nfs/dbraw/zinc/56/39/22/532563922.db2.gz FJVKHIDKJBYMPN-WFASDCNBSA-N 2 2 399.308 2.063 20 0 GEADLP O=C(NC[C@@H]1CCC[N@H+](Cc2ncc(Br)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000631822479 532563927 /nfs/dbraw/zinc/56/39/27/532563927.db2.gz FJVKHIDKJBYMPN-WFASDCNBSA-N 2 2 399.308 2.063 20 0 GEADLP C[N@@H+]1CCN(C(=O)N[C@@H]2c3cccc(Br)c3CC2(C)C)[C@H](C[NH3+])C1 ZINC000565882709 532583148 /nfs/dbraw/zinc/58/31/48/532583148.db2.gz GOTIPWYWMXJGFQ-MLGOLLRUSA-N 2 2 395.345 2.357 20 0 GEADLP C[N@H+]1CCN(C(=O)N[C@@H]2c3cccc(Br)c3CC2(C)C)[C@H](C[NH3+])C1 ZINC000565882709 532583155 /nfs/dbraw/zinc/58/31/55/532583155.db2.gz GOTIPWYWMXJGFQ-MLGOLLRUSA-N 2 2 395.345 2.357 20 0 GEADLP C[C@@H](CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488439 532591777 /nfs/dbraw/zinc/59/17/77/532591777.db2.gz ZRTJRPOQCQJGOX-UYAYXHRUSA-N 2 2 398.345 2.237 20 0 GEADLP C[C@@H](CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488439 532591779 /nfs/dbraw/zinc/59/17/79/532591779.db2.gz ZRTJRPOQCQJGOX-UYAYXHRUSA-N 2 2 398.345 2.237 20 0 GEADLP CC[C@@H]1C[N@H+](CC(=O)Nc2cccc(I)c2)CC[C@H]1[NH3+] ZINC000251602698 532571284 /nfs/dbraw/zinc/57/12/84/532571284.db2.gz DECCFBZKOXJYCQ-BXUZGUMPSA-N 2 2 387.265 2.289 20 0 GEADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2cccc(I)c2)CC[C@H]1[NH3+] ZINC000251602698 532571292 /nfs/dbraw/zinc/57/12/92/532571292.db2.gz DECCFBZKOXJYCQ-BXUZGUMPSA-N 2 2 387.265 2.289 20 0 GEADLP COc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1Br ZINC000261684021 532575376 /nfs/dbraw/zinc/57/53/76/532575376.db2.gz ANHCLAALPNJBPR-CQSZACIVSA-N 2 2 384.318 2.277 20 0 GEADLP COc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1Br ZINC000261684021 532575380 /nfs/dbraw/zinc/57/53/80/532575380.db2.gz ANHCLAALPNJBPR-CQSZACIVSA-N 2 2 384.318 2.277 20 0 GEADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000436067534 532625019 /nfs/dbraw/zinc/62/50/19/532625019.db2.gz UHCIMFMVGUMTHG-CQSZACIVSA-N 2 2 384.311 2.461 20 0 GEADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000436067534 532625025 /nfs/dbraw/zinc/62/50/25/532625025.db2.gz UHCIMFMVGUMTHG-CQSZACIVSA-N 2 2 384.311 2.461 20 0 GEADLP Cc1nn(C)c(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1Br ZINC000377689380 532667360 /nfs/dbraw/zinc/66/73/60/532667360.db2.gz DTYMFDQCJGFNKH-HNNXBMFYSA-N 2 2 384.366 2.093 20 0 GEADLP Cc1nn(C)c(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1Br ZINC000377689380 532667365 /nfs/dbraw/zinc/66/73/65/532667365.db2.gz DTYMFDQCJGFNKH-HNNXBMFYSA-N 2 2 384.366 2.093 20 0 GEADLP O=C1[C@@H]([NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000567889232 532670405 /nfs/dbraw/zinc/67/04/05/532670405.db2.gz DLXFRZDJYMBHJB-PBHICJAKSA-N 2 2 383.323 2.078 20 0 GEADLP NC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000568237314 532673244 /nfs/dbraw/zinc/67/32/44/532673244.db2.gz XMMUGISZBQIYFB-IKGGRYGDSA-N 2 2 396.329 2.194 20 0 GEADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000569200029 532692250 /nfs/dbraw/zinc/69/22/50/532692250.db2.gz NYNSNGNKVZSNQF-QGZVFWFLSA-N 2 2 379.302 2.411 20 0 GEADLP CC(C)(O)C[NH+]1CCC([NH2+][C@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000639203967 532691039 /nfs/dbraw/zinc/69/10/39/532691039.db2.gz NVDMRLYPTYFROJ-MRXNPFEDSA-N 2 2 389.309 2.447 20 0 GEADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000579712208 532743280 /nfs/dbraw/zinc/74/32/80/532743280.db2.gz KMRXPPYAZYPFLA-FVQBIDKESA-N 2 2 380.330 2.337 20 0 GEADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000579712208 532743286 /nfs/dbraw/zinc/74/32/86/532743286.db2.gz KMRXPPYAZYPFLA-FVQBIDKESA-N 2 2 380.330 2.337 20 0 GEADLP O=C(C[NH+]1CCN(c2cc[nH+]c3c(Br)cccc23)CC1)NC1CC1 ZINC000301205973 532744377 /nfs/dbraw/zinc/74/43/77/532744377.db2.gz YZTUROYKNARIMQ-UHFFFAOYSA-N 2 2 389.297 2.398 20 0 GEADLP C[C@@H](CC[NH+]1CC[S@](=O)[C@H](C)[C@@H]1C)CC[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000411288492 532753723 /nfs/dbraw/zinc/75/37/23/532753723.db2.gz DSXQRZDVQVGTML-YELOFKMISA-N 2 2 376.632 2.085 20 0 GEADLP C[C@@H](CC[NH+]1CC[S@](=O)[C@H](C)[C@@H]1C)CC[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000411288492 532753728 /nfs/dbraw/zinc/75/37/28/532753728.db2.gz DSXQRZDVQVGTML-YELOFKMISA-N 2 2 376.632 2.085 20 0 GEADLP C[C@H](CC[NH+]1CC[S@](=O)[C@@H](C)[C@@H]1C)CC[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000411288492 532753731 /nfs/dbraw/zinc/75/37/31/532753731.db2.gz DSXQRZDVQVGTML-YELOFKMISA-N 2 2 376.632 2.085 20 0 GEADLP C[C@H](CC[NH+]1CC[S@](=O)[C@@H](C)[C@@H]1C)CC[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000411288492 532753735 /nfs/dbraw/zinc/75/37/35/532753735.db2.gz DSXQRZDVQVGTML-YELOFKMISA-N 2 2 376.632 2.085 20 0 GEADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCc2ccc(Br)cc2)CC1 ZINC000303339849 532776473 /nfs/dbraw/zinc/77/64/73/532776473.db2.gz VWJOJZRPELDWSU-OAHLLOKOSA-N 2 2 382.346 2.476 20 0 GEADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCc2ccc(Br)cc2)CC1 ZINC000303339849 532776476 /nfs/dbraw/zinc/77/64/76/532776476.db2.gz VWJOJZRPELDWSU-OAHLLOKOSA-N 2 2 382.346 2.476 20 0 GEADLP C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)C[N@@H+]1C1CC1 ZINC000512879794 532778578 /nfs/dbraw/zinc/77/85/78/532778578.db2.gz JWXUHCCDGYVDTE-VXGBXAGGSA-N 2 2 392.352 2.487 20 0 GEADLP C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)C[N@H+]1C1CC1 ZINC000512879794 532778579 /nfs/dbraw/zinc/77/85/79/532778579.db2.gz JWXUHCCDGYVDTE-VXGBXAGGSA-N 2 2 392.352 2.487 20 0 GEADLP NC(=O)c1c[nH+]ccc1N1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000302162213 532767671 /nfs/dbraw/zinc/76/76/71/532767671.db2.gz PXCOBNXCJULXBY-UHFFFAOYSA-N 2 2 375.270 2.265 20 0 GEADLP CS(=O)(=O)N1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000271548307 532809263 /nfs/dbraw/zinc/80/92/63/532809263.db2.gz UOTGQCDALKUVSF-OAHLLOKOSA-N 2 2 385.961 2.176 20 0 GEADLP Cc1cc(Br)cn2cc(CC[NH2+]C3CCN(C(N)=O)CC3)[nH+]c12 ZINC000273410772 532823496 /nfs/dbraw/zinc/82/34/96/532823496.db2.gz HTDKJIWQLDRGGW-UHFFFAOYSA-N 2 2 380.290 2.080 20 0 GEADLP COC[C@@]1(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CCC[NH2+]1 ZINC000414943209 532836398 /nfs/dbraw/zinc/83/63/98/532836398.db2.gz CRMJIAKBPPYLMY-SFHVURJKSA-N 2 2 398.345 2.144 20 0 GEADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000415104022 532837978 /nfs/dbraw/zinc/83/79/78/532837978.db2.gz GHYXSTBGKZHSNU-KRWDZBQOSA-N 2 2 379.302 2.493 20 0 GEADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000415104022 532837979 /nfs/dbraw/zinc/83/79/79/532837979.db2.gz GHYXSTBGKZHSNU-KRWDZBQOSA-N 2 2 379.302 2.493 20 0 GEADLP COc1cc(Br)ccc1C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415103238 532838075 /nfs/dbraw/zinc/83/80/75/532838075.db2.gz CYAPWNMHWJPEHY-HNNXBMFYSA-N 2 2 380.290 2.345 20 0 GEADLP COc1cc(Br)ccc1C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415103238 532838077 /nfs/dbraw/zinc/83/80/77/532838077.db2.gz CYAPWNMHWJPEHY-HNNXBMFYSA-N 2 2 380.290 2.345 20 0 GEADLP COc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415094480 532838110 /nfs/dbraw/zinc/83/81/10/532838110.db2.gz KAIQLZHLRLKZFF-LLVKDONJSA-N 2 2 394.107 2.298 20 0 GEADLP O=C1N[C@H]2C[N@H+](Cc3csc(Br)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415134824 532838651 /nfs/dbraw/zinc/83/86/51/532838651.db2.gz FBXUCVZOHZIEHG-UONOGXRCSA-N 2 2 399.358 2.231 20 0 GEADLP O=C1N[C@H]2C[N@@H+](Cc3csc(Br)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415134824 532838653 /nfs/dbraw/zinc/83/86/53/532838653.db2.gz FBXUCVZOHZIEHG-UONOGXRCSA-N 2 2 399.358 2.231 20 0 GEADLP CCOc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc(Cl)c1O ZINC000359875315 209197948 /nfs/dbraw/zinc/19/79/48/209197948.db2.gz SCDJTINRRJRZDV-AWEZNQCLSA-N 2 2 381.904 2.343 20 0 GEADLP CCOc1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc(Cl)c1O ZINC000359875315 209197950 /nfs/dbraw/zinc/19/79/50/209197950.db2.gz SCDJTINRRJRZDV-AWEZNQCLSA-N 2 2 381.904 2.343 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)NCC3=CC[N@@H+](C)CC3)[nH+]c12 ZINC000274226496 532845122 /nfs/dbraw/zinc/84/51/22/532845122.db2.gz PJVDQGTWSQOOFY-UHFFFAOYSA-N 2 2 392.301 2.466 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)NCC3=CC[N@H+](C)CC3)[nH+]c12 ZINC000274226496 532845121 /nfs/dbraw/zinc/84/51/21/532845121.db2.gz PJVDQGTWSQOOFY-UHFFFAOYSA-N 2 2 392.301 2.466 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3C[C@@H](C)[NH2+]C[C@@H]3C)[nH+]c12 ZINC000332256028 532850960 /nfs/dbraw/zinc/85/09/60/532850960.db2.gz CRXPYMLUHQMEKT-NEPJUHHUSA-N 2 2 380.290 2.297 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[NH2+][C@@H](C)[C@H]3C)[nH+]c12 ZINC000332281521 532851181 /nfs/dbraw/zinc/85/11/81/532851181.db2.gz IAVGDWJHZQOJHA-NWDGAFQWSA-N 2 2 380.290 2.297 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)[nH+]c12 ZINC000333727563 532872634 /nfs/dbraw/zinc/87/26/34/532872634.db2.gz HGXDMDCPXKDGHJ-QWHCGFSZSA-N 2 2 392.301 2.156 20 0 GEADLP O=S(=O)(c1ccc(Cl)s1)N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000333845490 532874021 /nfs/dbraw/zinc/87/40/21/532874021.db2.gz MCSIDBIYPZWDLE-CYBMUJFWSA-N 2 2 377.963 2.098 20 0 GEADLP Cc1cc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)ccc1I ZINC000423098270 532894078 /nfs/dbraw/zinc/89/40/78/532894078.db2.gz RXSCYJREZFFDAO-HZPDHXFCSA-N 2 2 386.277 2.456 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3cc(Br)ccc3F)C2)CC1 ZINC000363730897 532900769 /nfs/dbraw/zinc/90/07/69/532900769.db2.gz RRTSJORRTRLANN-OAHLLOKOSA-N 2 2 398.320 2.415 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3cc(Br)ccc3F)C2)CC1 ZINC000363730897 532900770 /nfs/dbraw/zinc/90/07/70/532900770.db2.gz RRTSJORRTRLANN-OAHLLOKOSA-N 2 2 398.320 2.415 20 0 GEADLP O=S1(=O)CC[C@@H]([NH2+]C2CC[NH+]([C@H]3CSCCc4ccccc43)CC2)C1 ZINC000368040808 532929991 /nfs/dbraw/zinc/92/99/91/532929991.db2.gz SYJRYBOUCANZMJ-MJGOQNOKSA-N 2 2 380.579 2.258 20 0 GEADLP CC(C)[C@@H](CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000294033374 532934884 /nfs/dbraw/zinc/93/48/84/532934884.db2.gz HVPYCXQKWCMFCS-AEFFLSMTSA-N 2 2 398.345 2.096 20 0 GEADLP C[NH+]1CCN(C[C@@H]2CCC[N@H+](C[C@@H](O)c3cccc(Br)c3)C2)CC1 ZINC000371421921 532948063 /nfs/dbraw/zinc/94/80/63/532948063.db2.gz BOAHULIEIXOFHH-QFBILLFUSA-N 2 2 396.373 2.442 20 0 GEADLP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](C[C@@H](O)c3cccc(Br)c3)C2)CC1 ZINC000371421921 532948064 /nfs/dbraw/zinc/94/80/64/532948064.db2.gz BOAHULIEIXOFHH-QFBILLFUSA-N 2 2 396.373 2.442 20 0 GEADLP CC[NH+](CC)CC1CC[NH+]([C@@H](C(=O)OC)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736535167 598861814 /nfs/dbraw/zinc/86/18/14/598861814.db2.gz UJOCHYPICPLQJK-GOSISDBHSA-N 2 2 386.500 2.135 20 0 GEADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NCCC[NH+]3C[C@@H](C)O[C@H](C)C3)c2c1 ZINC000737247978 599264701 /nfs/dbraw/zinc/26/47/01/599264701.db2.gz CJJSYNXSFCVGQK-HZPDHXFCSA-N 2 2 395.511 2.365 20 0 GEADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737501354 598356221 /nfs/dbraw/zinc/35/62/21/598356221.db2.gz UYMXJVVMBRMIOV-KRWDZBQOSA-N 2 2 380.456 2.037 20 0 GEADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737501354 598356223 /nfs/dbraw/zinc/35/62/23/598356223.db2.gz UYMXJVVMBRMIOV-KRWDZBQOSA-N 2 2 380.456 2.037 20 0 GEADLP C[NH+](C)[C@@H]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000736761355 598601789 /nfs/dbraw/zinc/60/17/89/598601789.db2.gz DPXXWLIIXJVNIS-SNVBAGLBSA-N 2 2 375.383 2.157 20 0 GEADLP c1ccc(NC[C@@H]2CC[N@@H+](CCCOc3ccc(-c4nn[nH]n4)cc3)C2)[nH+]c1 ZINC000738436477 598763123 /nfs/dbraw/zinc/76/31/23/598763123.db2.gz RAZSUGGFRKMGAC-INIZCTEOSA-N 2 2 379.468 2.465 20 0 GEADLP c1ccc(NC[C@@H]2CC[N@H+](CCCOc3ccc(-c4nn[nH]n4)cc3)C2)[nH+]c1 ZINC000738436477 598763126 /nfs/dbraw/zinc/76/31/26/598763126.db2.gz RAZSUGGFRKMGAC-INIZCTEOSA-N 2 2 379.468 2.465 20 0 GEADLP Oc1cccc(C[NH+]2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)c1 ZINC000823733355 599515640 /nfs/dbraw/zinc/51/56/40/599515640.db2.gz VBWLNKWMRQKLNU-UHFFFAOYSA-N 2 2 387.447 2.443 20 0 GEADLP Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000822744265 607472655 /nfs/dbraw/zinc/47/26/55/607472655.db2.gz PPDMNKFMHMYVBT-UHFFFAOYSA-N 2 2 382.443 2.128 20 0 GEADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000826331152 607562947 /nfs/dbraw/zinc/56/29/47/607562947.db2.gz WYUXMCJBBIYALX-UHFFFAOYSA-N 2 2 384.463 2.113 20 0 GEADLP CC(C)[N@H+](C)CCNc1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000820112293 606124425 /nfs/dbraw/zinc/12/44/25/606124425.db2.gz QKNPFDQQUPBJHT-UHFFFAOYSA-N 2 2 377.399 2.190 20 0 GEADLP CC(C)[N@@H+](C)CCNc1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000820112293 606124426 /nfs/dbraw/zinc/12/44/26/606124426.db2.gz QKNPFDQQUPBJHT-UHFFFAOYSA-N 2 2 377.399 2.190 20 0 GEADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC(C[NH+]2CCOCC2)CC1 ZINC000822331346 606455596 /nfs/dbraw/zinc/45/55/96/606455596.db2.gz FTTDRHVJZWJBHP-UHFFFAOYSA-N 2 2 393.495 2.272 20 0 GEADLP CC[N@@H+]1C[C@@H](C)[C@@H](Nc2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000821241278 606731561 /nfs/dbraw/zinc/73/15/61/606731561.db2.gz LMPZQCUCGPRKIN-BMIGLBTASA-N 2 2 389.410 2.190 20 0 GEADLP CC[N@H+]1C[C@@H](C)[C@@H](Nc2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000821241278 606731562 /nfs/dbraw/zinc/73/15/62/606731562.db2.gz LMPZQCUCGPRKIN-BMIGLBTASA-N 2 2 389.410 2.190 20 0 GEADLP C[C@H]1C[NH+](CCCCNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C[C@H](C)O1 ZINC000820761282 607173853 /nfs/dbraw/zinc/17/38/53/607173853.db2.gz WUIGWTPOZSMZGN-GJZGRUSLSA-N 2 2 381.484 2.138 20 0 GEADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)[C@@H](C)C1 ZINC000825595237 608284482 /nfs/dbraw/zinc/28/44/82/608284482.db2.gz WEGFIZKKHYSSCD-KSSFIOAISA-N 2 2 376.480 2.232 20 0 GEADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)[C@@H](C)C1 ZINC000825595237 608284483 /nfs/dbraw/zinc/28/44/83/608284483.db2.gz WEGFIZKKHYSSCD-KSSFIOAISA-N 2 2 376.480 2.232 20 0 GEADLP Cc1ncccc1C[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000826330755 608655699 /nfs/dbraw/zinc/65/56/99/608655699.db2.gz HFCXDGRYNKBXAI-UHFFFAOYSA-N 2 2 386.463 2.441 20 0 GEADLP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)[nH+]1 ZINC000826299596 608664287 /nfs/dbraw/zinc/66/42/87/608664287.db2.gz MCVBBPIOJRIBGP-HNNXBMFYSA-N 2 2 389.467 2.152 20 0 GEADLP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)[nH+]1 ZINC000826299596 608664289 /nfs/dbraw/zinc/66/42/89/608664289.db2.gz MCVBBPIOJRIBGP-HNNXBMFYSA-N 2 2 389.467 2.152 20 0 GEADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824548341 609152915 /nfs/dbraw/zinc/15/29/15/609152915.db2.gz WISKAESUEFDNIJ-BKTGTZMESA-N 2 2 388.491 2.424 20 0 GEADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000824093713 609166681 /nfs/dbraw/zinc/16/66/81/609166681.db2.gz LDSNONVNBJONBU-GOSISDBHSA-N 2 2 397.527 2.215 20 0 GEADLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824626099 609330918 /nfs/dbraw/zinc/33/09/18/609330918.db2.gz LXABCSVCCKEKSZ-AWEZNQCLSA-N 2 2 396.474 2.003 20 0 GEADLP C[NH+]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CC1 ZINC000475330519 650531840 /nfs/dbraw/zinc/53/18/40/650531840.db2.gz FDDDTJMWGMMQJK-UHFFFAOYSA-N 2 2 395.345 2.371 20 0 GEADLP C[N@@H+]1CCN(Cc2ccc(Br)c(Br)c2)[C@@H](C[NH3+])C1 ZINC000234361934 645406756 /nfs/dbraw/zinc/40/67/56/645406756.db2.gz ONYKUVIHRPTWSZ-NSHDSACASA-N 2 2 377.124 2.286 20 0 GEADLP C[N@H+]1CCN(Cc2ccc(Br)c(Br)c2)[C@@H](C[NH3+])C1 ZINC000234361934 645406761 /nfs/dbraw/zinc/40/67/61/645406761.db2.gz ONYKUVIHRPTWSZ-NSHDSACASA-N 2 2 377.124 2.286 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccc(Br)cc3)C2)CC1 ZINC000363408629 647594960 /nfs/dbraw/zinc/59/49/60/647594960.db2.gz FNELIJSIPQTMAB-MRXNPFEDSA-N 2 2 395.345 2.417 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ccc(Br)cc3)C2)CC1 ZINC000363408629 647594965 /nfs/dbraw/zinc/59/49/65/647594965.db2.gz FNELIJSIPQTMAB-MRXNPFEDSA-N 2 2 395.345 2.417 20 0 GEADLP O=C(NC[C@@H]1CCC[NH2+]1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000418365363 648294890 /nfs/dbraw/zinc/29/48/90/648294890.db2.gz JSHDKSXTAMUQKS-ZDUSSCGKSA-N 2 2 396.289 2.202 20 0 GEADLP [NH3+]C1(CNC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)CCC1 ZINC000418517911 648299682 /nfs/dbraw/zinc/29/96/82/648299682.db2.gz KVGSIDWKMFRXEB-UHFFFAOYSA-N 2 2 396.289 2.332 20 0 GEADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422768574 648575173 /nfs/dbraw/zinc/57/51/73/648575173.db2.gz UTHBUMGYYQYPAY-RDTXWAMCSA-N 2 2 381.929 2.166 20 0 GEADLP O[C@H](C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)COc1cccc(Cl)c1Cl ZINC000422903713 648576108 /nfs/dbraw/zinc/57/61/08/648576108.db2.gz OXINYEISNFNOCD-SRCQZFHVSA-N 2 2 375.296 2.090 20 0 GEADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000422908523 648576783 /nfs/dbraw/zinc/57/67/83/648576783.db2.gz MUDPMNVSSLCABQ-ZBFHGGJFSA-N 2 2 398.345 2.154 20 0 GEADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000423112369 648581580 /nfs/dbraw/zinc/58/15/80/648581580.db2.gz XHRUTITUNGCPQG-KBPBESRZSA-N 2 2 387.265 2.479 20 0 GEADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000430550478 648763573 /nfs/dbraw/zinc/76/35/73/648763573.db2.gz GKIIMADGGCFJKG-CQSZACIVSA-N 2 2 375.254 2.193 20 0 GEADLP C[N@@H+]1CC[C@H](C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)C1 ZINC000552802630 651158221 /nfs/dbraw/zinc/15/82/21/651158221.db2.gz BVSMAICBAVVWEF-ZDUSSCGKSA-N 2 2 381.274 2.219 20 0 GEADLP C[N@H+]1CC[C@H](C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)C1 ZINC000552802630 651158222 /nfs/dbraw/zinc/15/82/22/651158222.db2.gz BVSMAICBAVVWEF-ZDUSSCGKSA-N 2 2 381.274 2.219 20 0 GEADLP O=S(=O)(CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Br)c1 ZINC000644524063 651551942 /nfs/dbraw/zinc/55/19/42/651551942.db2.gz OPYVYYOXNHQMFQ-GJZGRUSLSA-N 2 2 387.343 2.439 20 0 GEADLP O=S(=O)(CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(Br)c1 ZINC000644524063 651551946 /nfs/dbraw/zinc/55/19/46/651551946.db2.gz OPYVYYOXNHQMFQ-GJZGRUSLSA-N 2 2 387.343 2.439 20 0 GEADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000566232069 651605721 /nfs/dbraw/zinc/60/57/21/651605721.db2.gz YIKCWNSOVAVCPU-ZIAGYGMSSA-N 2 2 377.312 2.170 20 0 GEADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000566232069 651605722 /nfs/dbraw/zinc/60/57/22/651605722.db2.gz YIKCWNSOVAVCPU-ZIAGYGMSSA-N 2 2 377.312 2.170 20 0 GEADLP Brc1csc(-c2noc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000567251534 651620515 /nfs/dbraw/zinc/62/05/15/651620515.db2.gz RAMBVAYIURPMNA-LBPRGKRZSA-N 2 2 398.330 2.040 20 0 GEADLP Brc1csc(-c2noc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000567251534 651620520 /nfs/dbraw/zinc/62/05/20/651620520.db2.gz RAMBVAYIURPMNA-LBPRGKRZSA-N 2 2 398.330 2.040 20 0 GEADLP CSC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000611621686 651731992 /nfs/dbraw/zinc/73/19/92/651731992.db2.gz LVOZBQQHGNWADT-HNNXBMFYSA-N 2 2 375.460 2.473 20 0 GEADLP Cc1ccc(NCCCNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)[nH+]c1 ZINC000649334691 651823258 /nfs/dbraw/zinc/82/32/58/651823258.db2.gz BGOJYTAZPOBULL-SFHVURJKSA-N 2 2 391.313 2.945 20 0 GEADLP Cc1ccc(NCCCNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)[nH+]c1 ZINC000649334690 651823364 /nfs/dbraw/zinc/82/33/64/651823364.db2.gz BGOJYTAZPOBULL-GOSISDBHSA-N 2 2 391.313 2.945 20 0 GEADLP C[C@@H]1[C@H](C)[S@](=O)CC[NH+]1CCCCCC[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000736628834 651829179 /nfs/dbraw/zinc/82/91/79/651829179.db2.gz KUHCYUPNKYHSHN-BIJSUVFWSA-N 2 2 376.632 2.229 20 0 GEADLP C[C@@H]1[C@H](C)[S@](=O)CC[NH+]1CCCCCC[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000736628834 651829182 /nfs/dbraw/zinc/82/91/82/651829182.db2.gz KUHCYUPNKYHSHN-BIJSUVFWSA-N 2 2 376.632 2.229 20 0 GEADLP C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1CCCCCC[NH+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000736628834 651829184 /nfs/dbraw/zinc/82/91/84/651829184.db2.gz KUHCYUPNKYHSHN-BIJSUVFWSA-N 2 2 376.632 2.229 20 0 GEADLP C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1CCCCCC[NH+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000736628834 651829186 /nfs/dbraw/zinc/82/91/86/651829186.db2.gz KUHCYUPNKYHSHN-BIJSUVFWSA-N 2 2 376.632 2.229 20 0 GEADLP Cc1cc(Br)c2c(c1)C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC2 ZINC000573024538 651929941 /nfs/dbraw/zinc/92/99/41/651929941.db2.gz QXILULLFCAWUQN-UHFFFAOYSA-N 2 2 380.330 2.280 20 0 GEADLP Cc1cc(Br)c2c(c1)C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC2 ZINC000573024538 651929945 /nfs/dbraw/zinc/92/99/45/651929945.db2.gz QXILULLFCAWUQN-UHFFFAOYSA-N 2 2 380.330 2.280 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1nn(C(C)(C)C)cc1Br ZINC000617763434 651971126 /nfs/dbraw/zinc/97/11/26/651971126.db2.gz RGLKWAILDFIXFU-UHFFFAOYSA-N 2 2 388.354 2.014 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1nn(C(C)(C)C)cc1Br ZINC000617763434 651971128 /nfs/dbraw/zinc/97/11/28/651971128.db2.gz RGLKWAILDFIXFU-UHFFFAOYSA-N 2 2 388.354 2.014 20 0 GEADLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2oc3ccccc3c2Br)CC1 ZINC000655730635 652009170 /nfs/dbraw/zinc/00/91/70/652009170.db2.gz PUGDGQRIDCVYPT-UHFFFAOYSA-N 2 2 380.286 2.449 20 0 GEADLP C[NH+]1CCC(CNC(=O)NC[C@H]2CC2(Cl)Cl)([NH+]2CCCCC2)CC1 ZINC000745302896 652074062 /nfs/dbraw/zinc/07/40/62/652074062.db2.gz OESNREFUIOESMC-CQSZACIVSA-N 2 2 377.360 2.430 20 0 GEADLP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000623878500 652265538 /nfs/dbraw/zinc/26/55/38/652265538.db2.gz JSYRGFCHPTXBHZ-NSHDSACASA-N 2 2 378.826 2.048 20 0 GEADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000624084907 652269589 /nfs/dbraw/zinc/26/95/89/652269589.db2.gz XDNGBVMDWAQHFW-IRXDYDNUSA-N 2 2 380.330 2.236 20 0 GEADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000624084907 652269595 /nfs/dbraw/zinc/26/95/95/652269595.db2.gz XDNGBVMDWAQHFW-IRXDYDNUSA-N 2 2 380.330 2.236 20 0 GEADLP CN(C(=O)c1cc(O)cc(Br)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000625502220 652350045 /nfs/dbraw/zinc/35/00/45/652350045.db2.gz RARRFWOHQUYRCX-INIZCTEOSA-N 2 2 396.329 2.395 20 0 GEADLP CN(C(=O)c1cc(O)cc(Br)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000625502220 652350049 /nfs/dbraw/zinc/35/00/49/652350049.db2.gz RARRFWOHQUYRCX-INIZCTEOSA-N 2 2 396.329 2.395 20 0 GEADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(I)cc2)CC12CCOCC2 ZINC000580431982 652380782 /nfs/dbraw/zinc/38/07/82/652380782.db2.gz GCRGFXCHNJCCOL-CQSZACIVSA-N 2 2 386.277 2.479 20 0 GEADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(I)cc2)CC12CCOCC2 ZINC000580431982 652380786 /nfs/dbraw/zinc/38/07/86/652380786.db2.gz GCRGFXCHNJCCOL-CQSZACIVSA-N 2 2 386.277 2.479 20 0 GEADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cncc(Br)c1 ZINC000580581569 652384659 /nfs/dbraw/zinc/38/46/59/652384659.db2.gz JOFDSLCXRCILKX-CJNGLKHVSA-N 2 2 383.334 2.437 20 0 GEADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cncc(Br)c1 ZINC000580581569 652384662 /nfs/dbraw/zinc/38/46/62/652384662.db2.gz JOFDSLCXRCILKX-CJNGLKHVSA-N 2 2 383.334 2.437 20 0 GEADLP O[C@@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662154525 652449139 /nfs/dbraw/zinc/44/91/39/652449139.db2.gz GCGYVYDLTIYETA-LSDHHAIUSA-N 2 2 389.323 2.264 20 0 GEADLP O[C@@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662154525 652449140 /nfs/dbraw/zinc/44/91/40/652449140.db2.gz GCGYVYDLTIYETA-LSDHHAIUSA-N 2 2 389.323 2.264 20 0 GEADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662522234 652466141 /nfs/dbraw/zinc/46/61/41/652466141.db2.gz RDBAFZHETWAMQD-HNNXBMFYSA-N 2 2 384.318 2.018 20 0 GEADLP CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCC[NH+]1CCC1 ZINC000584123974 652510213 /nfs/dbraw/zinc/51/02/13/652510213.db2.gz PBGOOSHVMJPQEW-CYBMUJFWSA-N 2 2 384.318 2.148 20 0 GEADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C[C@@](C)(O)C[NH2+]C)CC1 ZINC000584474640 652522368 /nfs/dbraw/zinc/52/23/68/652522368.db2.gz BPBWCLDCFQWYSH-MSOLQXFVSA-N 2 2 384.362 2.488 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CCC[NH2+]CC3)[nH+]c12 ZINC000669559051 652705362 /nfs/dbraw/zinc/70/53/62/652705362.db2.gz YXOXOOKQQIATOY-AWEZNQCLSA-N 2 2 394.317 2.389 20 0 GEADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000638719805 652904020 /nfs/dbraw/zinc/90/40/20/652904020.db2.gz QDRKTMZFJDERNO-RHSMWYFYSA-N 2 2 379.551 2.396 20 0 GEADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000638719805 652904028 /nfs/dbraw/zinc/90/40/28/652904028.db2.gz QDRKTMZFJDERNO-RHSMWYFYSA-N 2 2 379.551 2.396 20 0 GEADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000639360607 652934531 /nfs/dbraw/zinc/93/45/31/652934531.db2.gz YUZFUUOUEWDEKH-ZBFHGGJFSA-N 2 2 379.551 2.253 20 0 GEADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000639360607 652934540 /nfs/dbraw/zinc/93/45/40/652934540.db2.gz YUZFUUOUEWDEKH-ZBFHGGJFSA-N 2 2 379.551 2.253 20 0 GEADLP NS(=O)(=O)c1cc(Cl)cc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639684817 652948315 /nfs/dbraw/zinc/94/83/15/652948315.db2.gz ZRYNKMJIMMSWNE-UHFFFAOYSA-N 2 2 380.901 2.095 20 0 GEADLP NS(=O)(=O)c1cc(Cl)cc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639684817 652948318 /nfs/dbraw/zinc/94/83/18/652948318.db2.gz ZRYNKMJIMMSWNE-UHFFFAOYSA-N 2 2 380.901 2.095 20 0 GEADLP Brc1csc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000641789921 653234387 /nfs/dbraw/zinc/23/43/87/653234387.db2.gz ZEHXEADKMKLKMW-OAHLLOKOSA-N 2 2 388.375 2.397 20 0 GEADLP Ic1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000877022732 653460681 /nfs/dbraw/zinc/46/06/81/653460681.db2.gz RAKUBQMSCZJAEZ-GHMZBOCLSA-N 2 2 378.279 2.306 20 0 GEADLP Ic1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC000877022732 653460685 /nfs/dbraw/zinc/46/06/85/653460685.db2.gz RAKUBQMSCZJAEZ-GHMZBOCLSA-N 2 2 378.279 2.306 20 0 GEADLP Ic1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)s1 ZINC000877022735 653460773 /nfs/dbraw/zinc/46/07/73/653460773.db2.gz RAKUBQMSCZJAEZ-WDEREUQCSA-N 2 2 378.279 2.306 20 0 GEADLP Ic1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)s1 ZINC000877022735 653460780 /nfs/dbraw/zinc/46/07/80/653460780.db2.gz RAKUBQMSCZJAEZ-WDEREUQCSA-N 2 2 378.279 2.306 20 0 GEADLP Cn1nc(Br)cc1C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000785419103 653709106 /nfs/dbraw/zinc/70/91/06/653709106.db2.gz GWHJGVFBGWVXRQ-UHFFFAOYSA-N 2 2 392.345 2.485 20 0 GEADLP CC[C@@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000817917476 653722581 /nfs/dbraw/zinc/72/25/81/653722581.db2.gz OYMJVYAHDXOYEN-CABCVRRESA-N 2 2 380.432 2.479 20 0 GEADLP C[N@@H+]1CC[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)C1 ZINC000787669625 653741755 /nfs/dbraw/zinc/74/17/55/653741755.db2.gz ZVQUKYZXASYVAZ-ZDUSSCGKSA-N 2 2 381.318 2.091 20 0 GEADLP C[N@H+]1CC[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)C1 ZINC000787669625 653741758 /nfs/dbraw/zinc/74/17/58/653741758.db2.gz ZVQUKYZXASYVAZ-ZDUSSCGKSA-N 2 2 381.318 2.091 20 0 GEADLP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000842478777 653757571 /nfs/dbraw/zinc/75/75/71/653757571.db2.gz JXVBZZIKAWOEGF-MSOLQXFVSA-N 2 2 386.945 2.332 20 0 GEADLP CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000895294355 653826591 /nfs/dbraw/zinc/82/65/91/653826591.db2.gz UPPOSHJFJHLVBW-QWHCGFSZSA-N 2 2 386.334 2.392 20 0 GEADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895684204 653845869 /nfs/dbraw/zinc/84/58/69/653845869.db2.gz BFQFNJXBYPMGJL-UZEJHQAJSA-N 2 2 375.494 2.096 20 0 GEADLP [NH3+][C@@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc(Br)cc1 ZINC000884192680 653867575 /nfs/dbraw/zinc/86/75/75/653867575.db2.gz LIQAVLFKIZXZCN-MRXNPFEDSA-N 2 2 377.286 2.341 20 0 GEADLP [NH3+][C@@H](c1nc(CC2CC[NH2+]CC2)no1)c1ccccc1I ZINC000900017398 654046733 /nfs/dbraw/zinc/04/67/33/654046733.db2.gz GWEUNPQYNIHSOV-CQSZACIVSA-N 2 2 398.248 2.264 20 0 GEADLP Oc1cc(Br)cnc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000893114903 654383168 /nfs/dbraw/zinc/38/31/68/654383168.db2.gz YCGOCJJESFAWLI-HZPDHXFCSA-N 2 2 384.318 2.407 20 0 GEADLP FC(F)(F)COCCCN1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873203843 654422330 /nfs/dbraw/zinc/42/23/30/654422330.db2.gz QISZGUXQQXSVAG-UHFFFAOYSA-N 2 2 377.476 2.480 20 0 GEADLP O=C(c1c(Cl)cccc1Cl)N1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923310516 654443278 /nfs/dbraw/zinc/44/32/78/654443278.db2.gz WLRCHGMQYRJTBA-CYBMUJFWSA-N 2 2 384.307 2.130 20 0 GEADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2sc(N3CCOCC3)nc2Cl)CCCO1 ZINC000894567561 654487123 /nfs/dbraw/zinc/48/71/23/654487123.db2.gz UXLBLKHUTMCJCV-AWEZNQCLSA-N 2 2 388.965 2.224 20 0 GEADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2sc(N3CCOCC3)nc2Cl)CCCO1 ZINC000894567561 654487125 /nfs/dbraw/zinc/48/71/25/654487125.db2.gz UXLBLKHUTMCJCV-AWEZNQCLSA-N 2 2 388.965 2.224 20 0 GEADLP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(Br)n1 ZINC000925020137 654531716 /nfs/dbraw/zinc/53/17/16/654531716.db2.gz OEFSYUCHSROZFK-CYBMUJFWSA-N 2 2 383.334 2.437 20 0 GEADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC[S@](=O)C(F)(F)F)C2)ccn1 ZINC000931094214 654729352 /nfs/dbraw/zinc/72/93/52/654729352.db2.gz OZIDYOJRRZPINO-BZQUYTCOSA-N 2 2 379.448 2.255 20 0 GEADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC[S@](=O)C(F)(F)F)C2)ccn1 ZINC000931094214 654729355 /nfs/dbraw/zinc/72/93/55/654729355.db2.gz OZIDYOJRRZPINO-BZQUYTCOSA-N 2 2 379.448 2.255 20 0 GEADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC[S@](=O)C(F)(F)F)C2)ccn1 ZINC000931094214 654729356 /nfs/dbraw/zinc/72/93/56/654729356.db2.gz OZIDYOJRRZPINO-BZQUYTCOSA-N 2 2 379.448 2.255 20 0 GEADLP CN([C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CC1(F)CC1 ZINC000914289534 654842186 /nfs/dbraw/zinc/84/21/86/654842186.db2.gz PZYGIUFPNOZYKS-IRXDYDNUSA-N 2 2 375.554 2.087 20 0 GEADLP CN([C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CC1(F)CC1 ZINC000914289534 654842188 /nfs/dbraw/zinc/84/21/88/654842188.db2.gz PZYGIUFPNOZYKS-IRXDYDNUSA-N 2 2 375.554 2.087 20 0 GEADLP Cn1nnc2c1CCN(c1cccc(C3CC3)[nH+]1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716776 720204643 /nfs/dbraw/zinc/20/46/43/720204643.db2.gz DWVITJBWJGVUIK-LJQANCHMSA-N 2 2 382.512 2.304 20 0 GEADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(Cl)c(N)[nH+]2)CC1 ZINC001164830291 720353164 /nfs/dbraw/zinc/35/31/64/720353164.db2.gz VTQFWGXHAKHFMQ-HOTGVXAUSA-N 2 2 377.920 2.229 20 0 GEADLP Cc1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164752626 720808848 /nfs/dbraw/zinc/80/88/48/720808848.db2.gz ZJXYFANKWNUNEB-KZNAEPCWSA-N 2 2 392.511 2.237 20 0 GEADLP Cc1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164752626 720808849 /nfs/dbraw/zinc/80/88/49/720808849.db2.gz ZJXYFANKWNUNEB-KZNAEPCWSA-N 2 2 392.511 2.237 20 0 GEADLP CCc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C)[nH+]1 ZINC001164746571 720838104 /nfs/dbraw/zinc/83/81/04/720838104.db2.gz ORQQLQYSGPWGQI-MISYRCLQSA-N 2 2 381.528 2.318 20 0 GEADLP CCc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C)[nH+]1 ZINC001164746571 720838107 /nfs/dbraw/zinc/83/81/07/720838107.db2.gz ORQQLQYSGPWGQI-MISYRCLQSA-N 2 2 381.528 2.318 20 0 GEADLP COc1cc(C)c[nH+]c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743117 720841209 /nfs/dbraw/zinc/84/12/09/720841209.db2.gz IPQRGJKPVQXMKA-IPMKNSEASA-N 2 2 382.512 2.370 20 0 GEADLP COc1cc(C)c[nH+]c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743117 720841210 /nfs/dbraw/zinc/84/12/10/720841210.db2.gz IPQRGJKPVQXMKA-IPMKNSEASA-N 2 2 382.512 2.370 20 0 GEADLP Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(C)c(C)[nH+]1 ZINC001164748151 720852713 /nfs/dbraw/zinc/85/27/13/720852713.db2.gz KPPWNQVBLJTSMZ-XUVXKRRUSA-N 2 2 381.528 2.373 20 0 GEADLP Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(C)c(C)[nH+]1 ZINC001164748151 720852717 /nfs/dbraw/zinc/85/27/17/720852717.db2.gz KPPWNQVBLJTSMZ-XUVXKRRUSA-N 2 2 381.528 2.373 20 0 GEADLP Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(C)c(C)[nH+]1 ZINC001164748150 720852870 /nfs/dbraw/zinc/85/28/70/720852870.db2.gz KPPWNQVBLJTSMZ-VAMGGRTRSA-N 2 2 381.528 2.373 20 0 GEADLP Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(C)c(C)[nH+]1 ZINC001164748150 720852871 /nfs/dbraw/zinc/85/28/71/720852871.db2.gz KPPWNQVBLJTSMZ-VAMGGRTRSA-N 2 2 381.528 2.373 20 0 GEADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(N5CCCCC5)cc[nH+]4)C[C@H]3C2)cn1 ZINC001164764204 721162783 /nfs/dbraw/zinc/16/27/83/721162783.db2.gz HKCPOKBHECNENR-RTBURBONSA-N 2 2 381.528 2.159 20 0 GEADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(N5CCCCC5)cc[nH+]4)C[C@H]3C2)cn1 ZINC001164764204 721162792 /nfs/dbraw/zinc/16/27/92/721162792.db2.gz HKCPOKBHECNENR-RTBURBONSA-N 2 2 381.528 2.159 20 0 GEADLP C[NH+]1CCN(c2cccc(N3CC[C@H]4[C@H]3CC(=O)N4c3ccsc3)[nH+]2)CC1 ZINC001164881291 721357012 /nfs/dbraw/zinc/35/70/12/721357012.db2.gz AZSYDDLEVGNPJB-DLBZAZTESA-N 2 2 383.521 2.279 20 0 GEADLP C[NH+]1CCN(c2ncnc3c2CCN(c2ccc4c([nH+]2)CCCC4)CC3)CC1 ZINC001164996811 722232426 /nfs/dbraw/zinc/23/24/26/722232426.db2.gz JVJSRYGTLRZLLN-UHFFFAOYSA-N 2 2 378.524 2.107 20 0 GEADLP C[NH+]1CCC([N@H+](CCO)Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000155508980 531685566 /nfs/dbraw/zinc/68/55/66/531685566.db2.gz SOECZFGHDLNVDZ-UHFFFAOYSA-N 2 2 399.329 2.499 20 0 GEADLP C[NH+]1CCC([N@@H+](CCO)Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000155508980 531685576 /nfs/dbraw/zinc/68/55/76/531685576.db2.gz SOECZFGHDLNVDZ-UHFFFAOYSA-N 2 2 399.329 2.499 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000168614577 531881671 /nfs/dbraw/zinc/88/16/71/531881671.db2.gz YCWMUOOBNXXAPU-NEPJUHHUSA-N 2 2 387.265 2.207 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000168614577 531881680 /nfs/dbraw/zinc/88/16/80/531881680.db2.gz YCWMUOOBNXXAPU-NEPJUHHUSA-N 2 2 387.265 2.207 20 0 GEADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2cccc(Br)c2)CC1 ZINC000175692900 532112167 /nfs/dbraw/zinc/11/21/67/532112167.db2.gz OTRAMXKDUQUACM-UHFFFAOYSA-N 2 2 383.334 2.274 20 0 GEADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2sccc2Br)CC1 ZINC000175695857 532112200 /nfs/dbraw/zinc/11/22/00/532112200.db2.gz BEWVUXOTHZWDLO-UHFFFAOYSA-N 2 2 389.363 2.336 20 0 GEADLP COc1ccc(Br)cc1CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177115254 532161973 /nfs/dbraw/zinc/16/19/73/532161973.db2.gz RDLRKEKVNYMGEA-UHFFFAOYSA-N 2 2 398.345 2.142 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000131526240 532198803 /nfs/dbraw/zinc/19/88/03/532198803.db2.gz FIHGDLBFZIGLGN-NWDGAFQWSA-N 2 2 387.265 2.207 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000131526240 532198804 /nfs/dbraw/zinc/19/88/04/532198804.db2.gz FIHGDLBFZIGLGN-NWDGAFQWSA-N 2 2 387.265 2.207 20 0 GEADLP O=S(=O)(NCC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccs1 ZINC000181532563 532300975 /nfs/dbraw/zinc/30/09/75/532300975.db2.gz JTFZOFPQNFIMCY-QGZVFWFLSA-N 2 2 379.551 2.281 20 0 GEADLP O=S(=O)(NCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC000181532563 532300977 /nfs/dbraw/zinc/30/09/77/532300977.db2.gz JTFZOFPQNFIMCY-QGZVFWFLSA-N 2 2 379.551 2.281 20 0 GEADLP C[C@@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)CC[N@@H+]1CC(C)(C)O ZINC000188892991 532349938 /nfs/dbraw/zinc/34/99/38/532349938.db2.gz BDRUWRUCLGNYOO-CYBMUJFWSA-N 2 2 381.318 2.374 20 0 GEADLP C[C@@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)CC[N@H+]1CC(C)(C)O ZINC000188892991 532349939 /nfs/dbraw/zinc/34/99/39/532349939.db2.gz BDRUWRUCLGNYOO-CYBMUJFWSA-N 2 2 381.318 2.374 20 0 GEADLP OC[C@H]1CCC[NH+]1Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H]1CO ZINC000192072928 532384467 /nfs/dbraw/zinc/38/44/67/532384467.db2.gz ZYYOKHXLNQVZNX-QZTJIDSGSA-N 2 2 383.330 2.363 20 0 GEADLP OC[C@H]1CCC[NH+]1Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]1CO ZINC000192072928 532384472 /nfs/dbraw/zinc/38/44/72/532384472.db2.gz ZYYOKHXLNQVZNX-QZTJIDSGSA-N 2 2 383.330 2.363 20 0 GEADLP OC[C@H]1CCC[NH+]1Cc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1CO ZINC000192072928 532384475 /nfs/dbraw/zinc/38/44/75/532384475.db2.gz ZYYOKHXLNQVZNX-QZTJIDSGSA-N 2 2 383.330 2.363 20 0 GEADLP OC[C@H]1CCC[NH+]1Cc1ccc(Br)cc1C[N@H+]1CCC[C@@H]1CO ZINC000192072928 532384479 /nfs/dbraw/zinc/38/44/79/532384479.db2.gz ZYYOKHXLNQVZNX-QZTJIDSGSA-N 2 2 383.330 2.363 20 0 GEADLP Brc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(N2CCOCC2)c1 ZINC000427109936 532411247 /nfs/dbraw/zinc/41/12/47/532411247.db2.gz TUTURYKUOYAOAQ-PBHICJAKSA-N 2 2 380.330 2.470 20 0 GEADLP Brc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(N2CCOCC2)c1 ZINC000427109936 532411252 /nfs/dbraw/zinc/41/12/52/532411252.db2.gz TUTURYKUOYAOAQ-PBHICJAKSA-N 2 2 380.330 2.470 20 0 GEADLP C[C@@H]1CN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C[C@H]1[NH+](C)C ZINC000465285233 532414019 /nfs/dbraw/zinc/41/40/19/532414019.db2.gz MODPZDZSNYVZIC-BXUZGUMPSA-N 2 2 380.290 2.188 20 0 GEADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193630535 532427750 /nfs/dbraw/zinc/42/77/50/532427750.db2.gz WHOHRNZPUWYQQC-CWRNSKLLSA-N 2 2 380.330 2.289 20 0 GEADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193630535 532427761 /nfs/dbraw/zinc/42/77/61/532427761.db2.gz WHOHRNZPUWYQQC-CWRNSKLLSA-N 2 2 380.330 2.289 20 0 GEADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193630535 532427771 /nfs/dbraw/zinc/42/77/71/532427771.db2.gz WHOHRNZPUWYQQC-CWRNSKLLSA-N 2 2 380.330 2.289 20 0 GEADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193630535 532427779 /nfs/dbraw/zinc/42/77/79/532427779.db2.gz WHOHRNZPUWYQQC-CWRNSKLLSA-N 2 2 380.330 2.289 20 0 GEADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428029930 532440687 /nfs/dbraw/zinc/44/06/87/532440687.db2.gz GELXLWSDYVWLLW-TYNCELHUSA-N 2 2 399.276 2.302 20 0 GEADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428029930 532440694 /nfs/dbraw/zinc/44/06/94/532440694.db2.gz GELXLWSDYVWLLW-TYNCELHUSA-N 2 2 399.276 2.302 20 0 GEADLP C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428029743 532441489 /nfs/dbraw/zinc/44/14/89/532441489.db2.gz BDTRBVQYUDGCDS-XUJVJEKNSA-N 2 2 399.276 2.302 20 0 GEADLP C[C@H](C(=O)Nc1cccc(I)c1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428029743 532441490 /nfs/dbraw/zinc/44/14/90/532441490.db2.gz BDTRBVQYUDGCDS-XUJVJEKNSA-N 2 2 399.276 2.302 20 0 GEADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428039641 532441363 /nfs/dbraw/zinc/44/13/63/532441363.db2.gz SNDWKPBOHKJWOG-KMFMINBZSA-N 2 2 380.330 2.480 20 0 GEADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428039641 532441368 /nfs/dbraw/zinc/44/13/68/532441368.db2.gz SNDWKPBOHKJWOG-KMFMINBZSA-N 2 2 380.330 2.480 20 0 GEADLP CCO[C@@H]1C[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C[C@H]1C[NH3+] ZINC000650715230 532453247 /nfs/dbraw/zinc/45/32/47/532453247.db2.gz VIPONSJCLSMWFD-RHSMWYFYSA-N 2 2 379.302 2.430 20 0 GEADLP CCO[C@@H]1C[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C[C@H]1C[NH3+] ZINC000650715230 532453251 /nfs/dbraw/zinc/45/32/51/532453251.db2.gz VIPONSJCLSMWFD-RHSMWYFYSA-N 2 2 379.302 2.430 20 0 GEADLP C[N@H+](CC(=O)NC[C@@H]1CSCC[NH+]1Cc1ccccc1)[C@H]1CCSC1 ZINC000429049890 532469394 /nfs/dbraw/zinc/46/93/94/532469394.db2.gz XFCLLEFPJAGSND-ZWKOTPCHSA-N 2 2 379.595 2.158 20 0 GEADLP C[N@@H+](CC(=O)NC[C@@H]1CSCC[NH+]1Cc1ccccc1)[C@H]1CCSC1 ZINC000429049890 532469401 /nfs/dbraw/zinc/46/94/01/532469401.db2.gz XFCLLEFPJAGSND-ZWKOTPCHSA-N 2 2 379.595 2.158 20 0 GEADLP C[NH+](CC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)[C@H]1CCSC1 ZINC000429049890 532469407 /nfs/dbraw/zinc/46/94/07/532469407.db2.gz XFCLLEFPJAGSND-ZWKOTPCHSA-N 2 2 379.595 2.158 20 0 GEADLP C[NH+](CC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)[C@H]1CCSC1 ZINC000429049890 532469409 /nfs/dbraw/zinc/46/94/09/532469409.db2.gz XFCLLEFPJAGSND-ZWKOTPCHSA-N 2 2 379.595 2.158 20 0 GEADLP Cc1c([C@@H](C)[NH2+]CC2([NH3+])CCOCC2)nnn1-c1cccc(Br)c1 ZINC000629521964 532495318 /nfs/dbraw/zinc/49/53/18/532495318.db2.gz UDZDXLFEMBIVPT-GFCCVEGCSA-N 2 2 394.317 2.497 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)NCCC3(C[NH3+])CC3)[nH+]c12 ZINC000652178580 532505189 /nfs/dbraw/zinc/50/51/89/532505189.db2.gz RARRDGQGNITMJT-UHFFFAOYSA-N 2 2 380.290 2.333 20 0 GEADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000470018869 532517987 /nfs/dbraw/zinc/51/79/87/532517987.db2.gz QULBAXDWWJKBOV-UHFFFAOYSA-N 2 2 394.235 2.332 20 0 GEADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000470018869 532517989 /nfs/dbraw/zinc/51/79/89/532517989.db2.gz QULBAXDWWJKBOV-UHFFFAOYSA-N 2 2 394.235 2.332 20 0 GEADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000245576735 532522059 /nfs/dbraw/zinc/52/20/59/532522059.db2.gz FIHMVDTXMURQHE-FHLIZLRMSA-N 2 2 393.329 2.259 20 0 GEADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000245576735 532522064 /nfs/dbraw/zinc/52/20/64/532522064.db2.gz FIHMVDTXMURQHE-FHLIZLRMSA-N 2 2 393.329 2.259 20 0 GEADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ncc(Br)cc2F)CC1 ZINC000527647253 532550752 /nfs/dbraw/zinc/55/07/52/532550752.db2.gz ZGKNBTFPDBNPCW-UHFFFAOYSA-N 2 2 394.292 2.420 20 0 GEADLP C[N@H+](C[C@@H](O)CN1CC[NH+](Cc2ccc(Br)cc2)CC1)C1CC1 ZINC000565509727 532567267 /nfs/dbraw/zinc/56/72/67/532567267.db2.gz WGWIWENLRJRJJI-GOSISDBHSA-N 2 2 382.346 2.022 20 0 GEADLP C[N@@H+](C[C@@H](O)CN1CC[NH+](Cc2ccc(Br)cc2)CC1)C1CC1 ZINC000565509727 532567274 /nfs/dbraw/zinc/56/72/74/532567274.db2.gz WGWIWENLRJRJJI-GOSISDBHSA-N 2 2 382.346 2.022 20 0 GEADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000375832180 532582620 /nfs/dbraw/zinc/58/26/20/532582620.db2.gz WLJWTFZDZAQQOX-JKIFEVAISA-N 2 2 395.349 2.440 20 0 GEADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000375832180 532582626 /nfs/dbraw/zinc/58/26/26/532582626.db2.gz WLJWTFZDZAQQOX-JKIFEVAISA-N 2 2 395.349 2.440 20 0 GEADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(Br)cc2c1OCC2 ZINC000262052301 532583095 /nfs/dbraw/zinc/58/30/95/532583095.db2.gz QHGKVMJKJOAWDL-INIZCTEOSA-N 2 2 396.329 2.204 20 0 GEADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(Br)cc2c1OCC2 ZINC000262052301 532583098 /nfs/dbraw/zinc/58/30/98/532583098.db2.gz QHGKVMJKJOAWDL-INIZCTEOSA-N 2 2 396.329 2.204 20 0 GEADLP CN(c1ccc(-c2csc(C[NH+]3CCC([NH3+])CC3)n2)cc1)S(C)(=O)=O ZINC000434658229 532598886 /nfs/dbraw/zinc/59/88/86/532598886.db2.gz BHDMEVAHLANKBK-UHFFFAOYSA-N 2 2 380.539 2.129 20 0 GEADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccc(Cl)cc1 ZINC000655914311 532602031 /nfs/dbraw/zinc/60/20/31/532602031.db2.gz XMWKKZFVLXJVAI-VXGBXAGGSA-N 2 2 375.782 2.352 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)[nH+]c12 ZINC000655923570 532604109 /nfs/dbraw/zinc/60/41/09/532604109.db2.gz AGAFUZQXPROPBA-SNVBAGLBSA-N 2 2 394.195 2.094 20 0 GEADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000533469896 532664857 /nfs/dbraw/zinc/66/48/57/532664857.db2.gz SLCBWCRKYXIROA-CYBMUJFWSA-N 2 2 379.302 2.231 20 0 GEADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000533469896 532664864 /nfs/dbraw/zinc/66/48/64/532664864.db2.gz SLCBWCRKYXIROA-CYBMUJFWSA-N 2 2 379.302 2.231 20 0 GEADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000533469896 532664867 /nfs/dbraw/zinc/66/48/67/532664867.db2.gz SLCBWCRKYXIROA-CYBMUJFWSA-N 2 2 379.302 2.231 20 0 GEADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000533469896 532664871 /nfs/dbraw/zinc/66/48/71/532664871.db2.gz SLCBWCRKYXIROA-CYBMUJFWSA-N 2 2 379.302 2.231 20 0 GEADLP CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000377617999 532665214 /nfs/dbraw/zinc/66/52/14/532665214.db2.gz BNMUXQORXXCKDK-MAUKXSAKSA-N 2 2 385.599 2.410 20 0 GEADLP Cc1nn(C)c(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000377623378 532665435 /nfs/dbraw/zinc/66/54/35/532665435.db2.gz HZTWFNUAMGDAHV-HNNXBMFYSA-N 2 2 384.366 2.091 20 0 GEADLP Cc1nn(C)c(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000377623378 532665443 /nfs/dbraw/zinc/66/54/43/532665443.db2.gz HZTWFNUAMGDAHV-HNNXBMFYSA-N 2 2 384.366 2.091 20 0 GEADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCc3c(Br)ccc(F)c3C2)CC1 ZINC000477674205 532653833 /nfs/dbraw/zinc/65/38/33/532653833.db2.gz WEBOBZSDXLRKRG-UHFFFAOYSA-N 2 2 384.293 2.110 20 0 GEADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCc3c(Br)ccc(F)c3C2)CC1 ZINC000477674205 532653837 /nfs/dbraw/zinc/65/38/37/532653837.db2.gz WEBOBZSDXLRKRG-UHFFFAOYSA-N 2 2 384.293 2.110 20 0 GEADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(S(N)(=O)=O)c(Br)c2)CC[N@@H+]1C ZINC000638115425 532682364 /nfs/dbraw/zinc/68/23/64/532682364.db2.gz BZBKKHSVVAKUKW-DGCLKSJQSA-N 2 2 390.347 2.011 20 0 GEADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(S(N)(=O)=O)c(Br)c2)CC[N@H+]1C ZINC000638115425 532682366 /nfs/dbraw/zinc/68/23/66/532682366.db2.gz BZBKKHSVVAKUKW-DGCLKSJQSA-N 2 2 390.347 2.011 20 0 GEADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(S(N)(=O)=O)c(Br)c2)CC[NH+]1C ZINC000638115425 532682371 /nfs/dbraw/zinc/68/23/71/532682371.db2.gz BZBKKHSVVAKUKW-DGCLKSJQSA-N 2 2 390.347 2.011 20 0 GEADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(S(N)(=O)=O)c(Br)c2)CC[NH+]1C ZINC000638115425 532682374 /nfs/dbraw/zinc/68/23/74/532682374.db2.gz BZBKKHSVVAKUKW-DGCLKSJQSA-N 2 2 390.347 2.011 20 0 GEADLP O[C@@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266041200 532700530 /nfs/dbraw/zinc/70/05/30/532700530.db2.gz VUNCSKODXUCGCK-GOEBONIOSA-N 2 2 389.323 2.387 20 0 GEADLP O[C@@H](COc1cc(Cl)ccc1Cl)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266041200 532700533 /nfs/dbraw/zinc/70/05/33/532700533.db2.gz VUNCSKODXUCGCK-GOEBONIOSA-N 2 2 389.323 2.387 20 0 GEADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@]3([NH+](C)C)CCSC3)cn2c1 ZINC000267361187 532741179 /nfs/dbraw/zinc/74/11/79/532741179.db2.gz WKJVCDSWQBKWGJ-GOSISDBHSA-N 2 2 378.567 2.429 20 0 GEADLP CN(C[C@H](O)C[NH+]1CCOCC1)c1cc[nH+]c2c(Br)cccc12 ZINC000301534255 532753965 /nfs/dbraw/zinc/75/39/65/532753965.db2.gz ADVMLDUPCKWEMR-ZDUSSCGKSA-N 2 2 380.286 2.127 20 0 GEADLP C[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)C[N@@H+]1C1CC1 ZINC000512879793 532778766 /nfs/dbraw/zinc/77/87/66/532778766.db2.gz JWXUHCCDGYVDTE-RYUDHWBXSA-N 2 2 392.352 2.487 20 0 GEADLP C[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)C[N@H+]1C1CC1 ZINC000512879793 532778769 /nfs/dbraw/zinc/77/87/69/532778769.db2.gz JWXUHCCDGYVDTE-RYUDHWBXSA-N 2 2 392.352 2.487 20 0 GEADLP C[C@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)C[NH+]1CCOCC1 ZINC000268993196 532774026 /nfs/dbraw/zinc/77/40/26/532774026.db2.gz HKBQNRXIXCKGNN-KGLIPLIRSA-N 2 2 376.469 2.302 20 0 GEADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccccc1I ZINC000314353236 532780570 /nfs/dbraw/zinc/78/05/70/532780570.db2.gz OHVXBXGEGQQIDG-BETUJISGSA-N 2 2 399.276 2.161 20 0 GEADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccccc1I ZINC000314353236 532780574 /nfs/dbraw/zinc/78/05/74/532780574.db2.gz OHVXBXGEGQQIDG-BETUJISGSA-N 2 2 399.276 2.161 20 0 GEADLP Cc1nc(N2CC[NH+](C[C@H](O)c3ccc(Br)cc3)CC2)cc[nH+]1 ZINC000273574201 532826662 /nfs/dbraw/zinc/82/66/62/532826662.db2.gz CTLFJUILIDIQLM-INIZCTEOSA-N 2 2 377.286 2.403 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)NC3CC[NH+](C)CC3)[nH+]c12 ZINC000273783736 532834153 /nfs/dbraw/zinc/83/41/53/532834153.db2.gz ZPVFIEDOCVHFGL-UHFFFAOYSA-N 2 2 380.290 2.299 20 0 GEADLP COc1cc(C[NH2+][C@@H](C[NH3+])C2CC2)cc(I)c1OC ZINC000414793033 532835317 /nfs/dbraw/zinc/83/53/17/532835317.db2.gz CYCNSQMWXSYQSY-LBPRGKRZSA-N 2 2 376.238 2.135 20 0 GEADLP CCOc1cc(C[N@H+](C)C[C@H](O)C[NH3+])cc(Br)c1OC(F)F ZINC000415061068 532837333 /nfs/dbraw/zinc/83/73/33/532837333.db2.gz VOJHJSBCKVRJFR-SNVBAGLBSA-N 2 2 383.233 2.201 20 0 GEADLP CCOc1cc(C[N@@H+](C)C[C@H](O)C[NH3+])cc(Br)c1OC(F)F ZINC000415061068 532837336 /nfs/dbraw/zinc/83/73/36/532837336.db2.gz VOJHJSBCKVRJFR-SNVBAGLBSA-N 2 2 383.233 2.201 20 0 GEADLP O=C1N[C@@H]2C[N@H+](Cc3sccc3Br)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415136492 532838666 /nfs/dbraw/zinc/83/86/66/532838666.db2.gz HOTQHRXIKPMSBZ-KGLIPLIRSA-N 2 2 399.358 2.231 20 0 GEADLP O=C1N[C@@H]2C[N@@H+](Cc3sccc3Br)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415136492 532838668 /nfs/dbraw/zinc/83/86/68/532838668.db2.gz HOTQHRXIKPMSBZ-KGLIPLIRSA-N 2 2 399.358 2.231 20 0 GEADLP O=C1N[C@H]2C[N@H+](Cc3ccc(Br)s3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415138752 532838831 /nfs/dbraw/zinc/83/88/31/532838831.db2.gz KNRIPLHMZUDBJP-UONOGXRCSA-N 2 2 399.358 2.231 20 0 GEADLP O=C1N[C@H]2C[N@@H+](Cc3ccc(Br)s3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415138752 532838835 /nfs/dbraw/zinc/83/88/35/532838835.db2.gz KNRIPLHMZUDBJP-UONOGXRCSA-N 2 2 399.358 2.231 20 0 GEADLP CCOC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)CC1 ZINC000359900861 209181553 /nfs/dbraw/zinc/18/15/53/209181553.db2.gz QLWHLVQGAAXDCG-RBUKOAKNSA-N 2 2 393.572 2.375 20 0 GEADLP CCOC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)CC1 ZINC000359900861 209181559 /nfs/dbraw/zinc/18/15/59/209181559.db2.gz QLWHLVQGAAXDCG-RBUKOAKNSA-N 2 2 393.572 2.375 20 0 GEADLP CCOC(=O)C1CCN(C(=O)C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000359900861 209181565 /nfs/dbraw/zinc/18/15/65/209181565.db2.gz QLWHLVQGAAXDCG-RBUKOAKNSA-N 2 2 393.572 2.375 20 0 GEADLP CCOC(=O)C1CCN(C(=O)C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000359900861 209181566 /nfs/dbraw/zinc/18/15/66/209181566.db2.gz QLWHLVQGAAXDCG-RBUKOAKNSA-N 2 2 393.572 2.375 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)[nH+]c12 ZINC000332281873 532851487 /nfs/dbraw/zinc/85/14/87/532851487.db2.gz IFDLFAZXAKAOSA-BXUZGUMPSA-N 2 2 380.290 2.284 20 0 GEADLP COC(=O)c1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)c(Br)c1 ZINC000289507133 532857173 /nfs/dbraw/zinc/85/71/73/532857173.db2.gz UHUUHIGLUFMCCS-UHFFFAOYSA-N 2 2 398.345 2.305 20 0 GEADLP COC(=O)c1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c(Br)c1 ZINC000289507133 532857174 /nfs/dbraw/zinc/85/71/74/532857174.db2.gz UHUUHIGLUFMCCS-UHFFFAOYSA-N 2 2 398.345 2.305 20 0 GEADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Br)nc1 ZINC000289629650 532861121 /nfs/dbraw/zinc/86/11/21/532861121.db2.gz HFGWKVMGPWACPW-HIFRSBDPSA-N 2 2 383.334 2.437 20 0 GEADLP CN(C)c1cc(NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)[nH+]cc1Br ZINC000333728168 532872500 /nfs/dbraw/zinc/87/25/00/532872500.db2.gz WEHXMYBZCNNQPI-INIZCTEOSA-N 2 2 382.306 2.470 20 0 GEADLP CN(C)c1cc(NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)[nH+]cc1Br ZINC000333728168 532872502 /nfs/dbraw/zinc/87/25/02/532872502.db2.gz WEHXMYBZCNNQPI-INIZCTEOSA-N 2 2 382.306 2.470 20 0 GEADLP Cc1cc(Br)cn2c(C[NH2+]C[C@H]3CCCS(=O)(=O)C3)c[nH+]c12 ZINC000290184925 532874595 /nfs/dbraw/zinc/87/45/95/532874595.db2.gz SGTYJSQUNOYJGL-GFCCVEGCSA-N 2 2 386.315 2.320 20 0 GEADLP CCC[NH2+]CCNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000418464031 532881240 /nfs/dbraw/zinc/88/12/40/532881240.db2.gz AAQKDMWRXJLEEP-UHFFFAOYSA-N 2 2 398.305 2.450 20 0 GEADLP [NH3+][C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)c2ccccc21 ZINC000423098017 532893453 /nfs/dbraw/zinc/89/34/53/532893453.db2.gz JQDNBWVRKQVEKJ-CVEARBPZSA-N 2 2 383.876 2.492 20 0 GEADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)nc[nH+]1 ZINC000736887244 599318250 /nfs/dbraw/zinc/31/82/50/599318250.db2.gz LURVPECSPODHID-CZUORRHYSA-N 2 2 379.472 2.018 20 0 GEADLP C[N@H+](CCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1ccccc1 ZINC000736799843 599482724 /nfs/dbraw/zinc/48/27/24/599482724.db2.gz GSPZRTPLCBSJCH-UHFFFAOYSA-N 2 2 376.468 2.126 20 0 GEADLP C[N@@H+](CCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1ccccc1 ZINC000736799843 599482726 /nfs/dbraw/zinc/48/27/26/599482726.db2.gz GSPZRTPLCBSJCH-UHFFFAOYSA-N 2 2 376.468 2.126 20 0 GEADLP c1cn([C@H]2CCC[N@@H+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)C2)c[nH+]1 ZINC000738446376 599579787 /nfs/dbraw/zinc/57/97/87/599579787.db2.gz WUEGRUPHUFPRNN-KRWDZBQOSA-N 2 2 375.440 2.221 20 0 GEADLP c1cn([C@H]2CCC[N@H+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)C2)c[nH+]1 ZINC000738446376 599579791 /nfs/dbraw/zinc/57/97/91/599579791.db2.gz WUEGRUPHUFPRNN-KRWDZBQOSA-N 2 2 375.440 2.221 20 0 GEADLP COc1ccc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1-c1nn[nH]n1 ZINC000821821765 607497218 /nfs/dbraw/zinc/49/72/18/607497218.db2.gz VTUVTFAPPGLJHE-INIZCTEOSA-N 2 2 394.483 2.023 20 0 GEADLP Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c(-c2nn[nH]n2)c1C ZINC000826341785 607638816 /nfs/dbraw/zinc/63/88/16/607638816.db2.gz PWDYBICJIYTRHH-SWLSCSKDSA-N 2 2 398.471 2.073 20 0 GEADLP Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c(-c2nn[nH]n2)c1C ZINC000826341785 607638818 /nfs/dbraw/zinc/63/88/18/607638818.db2.gz PWDYBICJIYTRHH-SWLSCSKDSA-N 2 2 398.471 2.073 20 0 GEADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[NH+](C[C@H]4CCCO4)CC3)c2c1 ZINC000822195204 606440412 /nfs/dbraw/zinc/44/04/12/606440412.db2.gz KADBYAIUBAUZBQ-MRXNPFEDSA-N 2 2 393.495 2.333 20 0 GEADLP O[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823683012 606855410 /nfs/dbraw/zinc/85/54/10/606855410.db2.gz XKRMCEWFGLZRPK-OAQYLSRUSA-N 2 2 392.507 2.197 20 0 GEADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)[C@@H](C)C1 ZINC000821378976 607057973 /nfs/dbraw/zinc/05/79/73/607057973.db2.gz YWRKQPAGFLVRLR-KSSFIOAISA-N 2 2 376.480 2.232 20 0 GEADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)[C@@H](C)C1 ZINC000821378976 607057975 /nfs/dbraw/zinc/05/79/75/607057975.db2.gz YWRKQPAGFLVRLR-KSSFIOAISA-N 2 2 376.480 2.232 20 0 GEADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824577004 609146091 /nfs/dbraw/zinc/14/60/91/609146091.db2.gz FTLOJYYSSDHRFI-YCRPNKLZSA-N 2 2 396.470 2.293 20 0 GEADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824577004 609146092 /nfs/dbraw/zinc/14/60/92/609146092.db2.gz FTLOJYYSSDHRFI-YCRPNKLZSA-N 2 2 396.470 2.293 20 0 GEADLP C[C@H]([NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000824564815 609441247 /nfs/dbraw/zinc/44/12/47/609441247.db2.gz WEPLKJVFQVNXAL-AWEZNQCLSA-N 2 2 388.435 2.342 20 0 GEADLP COc1ccc(C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c(Br)c1 ZINC000512052021 650544616 /nfs/dbraw/zinc/54/46/16/650544616.db2.gz KRRDRHDKXDFZNU-UHFFFAOYSA-N 2 2 398.345 2.490 20 0 GEADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)s1 ZINC000511898691 650541774 /nfs/dbraw/zinc/54/17/74/650541774.db2.gz YQGCXDROUQFAOK-UHFFFAOYSA-N 2 2 380.539 2.034 20 0 GEADLP CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)s1 ZINC000513090495 650557633 /nfs/dbraw/zinc/55/76/33/650557633.db2.gz UWKLJDDENMYNLX-GHMZBOCLSA-N 2 2 382.559 2.372 20 0 GEADLP OCC[NH+]1CCN(CCCC[NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000513864149 650570781 /nfs/dbraw/zinc/57/07/81/650570781.db2.gz QSCAOXLJIGRSGP-IBGZPJMESA-N 2 2 396.373 2.416 20 0 GEADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000481741665 650651981 /nfs/dbraw/zinc/65/19/81/650651981.db2.gz XGLPOYWSGMSTNU-KRWDZBQOSA-N 2 2 384.293 2.403 20 0 GEADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000070174319 643049887 /nfs/dbraw/zinc/04/98/87/643049887.db2.gz SWAOQSBAJVLMFY-NWDGAFQWSA-N 2 2 387.265 2.289 20 0 GEADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000070174319 643049896 /nfs/dbraw/zinc/04/98/96/643049896.db2.gz SWAOQSBAJVLMFY-NWDGAFQWSA-N 2 2 387.265 2.289 20 0 GEADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc4c(cc3Br)OCO4)C2)CC1 ZINC000107370197 643255534 /nfs/dbraw/zinc/25/55/34/643255534.db2.gz NKDJQAKPPOKNTD-OAHLLOKOSA-N 2 2 396.329 2.390 20 0 GEADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc4c(cc3Br)OCO4)C2)CC1 ZINC000107370197 643255538 /nfs/dbraw/zinc/25/55/38/643255538.db2.gz NKDJQAKPPOKNTD-OAHLLOKOSA-N 2 2 396.329 2.390 20 0 GEADLP CSC[C@H]1CCC[N@@H+]1CCS(=O)(=O)CC[NH+]1CCC[C@H]1CSC ZINC000135460953 643914917 /nfs/dbraw/zinc/91/49/17/643914917.db2.gz UHFMSGBKOXYUQL-IYBDPMFKSA-N 2 2 380.645 2.056 20 0 GEADLP CSC[C@H]1CCC[N@H+]1CCS(=O)(=O)CC[NH+]1CCC[C@H]1CSC ZINC000135460953 643914934 /nfs/dbraw/zinc/91/49/34/643914934.db2.gz UHFMSGBKOXYUQL-IYBDPMFKSA-N 2 2 380.645 2.056 20 0 GEADLP CSC[C@H]1CCC[NH+]1CCS(=O)(=O)CC[N@@H+]1CCC[C@H]1CSC ZINC000135460953 643914943 /nfs/dbraw/zinc/91/49/43/643914943.db2.gz UHFMSGBKOXYUQL-IYBDPMFKSA-N 2 2 380.645 2.056 20 0 GEADLP CSC[C@H]1CCC[NH+]1CCS(=O)(=O)CC[N@H+]1CCC[C@H]1CSC ZINC000135460953 643914954 /nfs/dbraw/zinc/91/49/54/643914954.db2.gz UHFMSGBKOXYUQL-IYBDPMFKSA-N 2 2 380.645 2.056 20 0 GEADLP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)Cn2cc(Br)cn2)nc[nH+]1 ZINC000180571277 644507913 /nfs/dbraw/zinc/50/79/13/644507913.db2.gz SAUMZCRGKQYFQY-OCCSQVGLSA-N 2 2 394.321 2.124 20 0 GEADLP C[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000181865230 644950028 /nfs/dbraw/zinc/95/00/28/644950028.db2.gz ZCHXJDKLSMYGLI-AWEZNQCLSA-N 2 2 398.345 2.327 20 0 GEADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000547269433 651019831 /nfs/dbraw/zinc/01/98/31/651019831.db2.gz PCOIYUGGSGMULN-KRWDZBQOSA-N 2 2 379.302 2.099 20 0 GEADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000547269433 651019833 /nfs/dbraw/zinc/01/98/33/651019833.db2.gz PCOIYUGGSGMULN-KRWDZBQOSA-N 2 2 379.302 2.099 20 0 GEADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000547269434 651020270 /nfs/dbraw/zinc/02/02/70/651020270.db2.gz PCOIYUGGSGMULN-QGZVFWFLSA-N 2 2 379.302 2.099 20 0 GEADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000547269434 651020276 /nfs/dbraw/zinc/02/02/76/651020276.db2.gz PCOIYUGGSGMULN-QGZVFWFLSA-N 2 2 379.302 2.099 20 0 GEADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000264658163 645699076 /nfs/dbraw/zinc/69/90/76/645699076.db2.gz YDIDGBCUQXCQJV-MRXNPFEDSA-N 2 2 394.313 2.154 20 0 GEADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000264658163 645699081 /nfs/dbraw/zinc/69/90/81/645699081.db2.gz YDIDGBCUQXCQJV-MRXNPFEDSA-N 2 2 394.313 2.154 20 0 GEADLP C[C@]1(O)CC[NH+](Cc2cc(Br)ccc2C[N@H+]2CC[C@](C)(O)C2)C1 ZINC000277504540 646432830 /nfs/dbraw/zinc/43/28/30/646432830.db2.gz OEFHCFQWVNQKMT-ROUUACIJSA-N 2 2 383.330 2.363 20 0 GEADLP C[C@]1(O)CC[NH+](Cc2cc(Br)ccc2C[N@@H+]2CC[C@](C)(O)C2)C1 ZINC000277504540 646432833 /nfs/dbraw/zinc/43/28/33/646432833.db2.gz OEFHCFQWVNQKMT-ROUUACIJSA-N 2 2 383.330 2.363 20 0 GEADLP C[C@]1(O)CC[NH+](Cc2ccc(Br)cc2C[N@@H+]2CC[C@](C)(O)C2)C1 ZINC000277504540 646432837 /nfs/dbraw/zinc/43/28/37/646432837.db2.gz OEFHCFQWVNQKMT-ROUUACIJSA-N 2 2 383.330 2.363 20 0 GEADLP C[C@]1(O)CC[NH+](Cc2ccc(Br)cc2C[N@H+]2CC[C@](C)(O)C2)C1 ZINC000277504540 646432840 /nfs/dbraw/zinc/43/28/40/646432840.db2.gz OEFHCFQWVNQKMT-ROUUACIJSA-N 2 2 383.330 2.363 20 0 GEADLP C[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(Br)cn1 ZINC000279767296 646625496 /nfs/dbraw/zinc/62/54/96/646625496.db2.gz JWFQGJKDUOUBNT-ZDUSSCGKSA-N 2 2 391.317 2.237 20 0 GEADLP CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000294699369 647223217 /nfs/dbraw/zinc/22/32/17/647223217.db2.gz GMMIJLXWUTZTOR-CYBMUJFWSA-N 2 2 395.301 2.339 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccc(Br)cc1 ZINC000299055214 647270893 /nfs/dbraw/zinc/27/08/93/647270893.db2.gz HXIRBPBVWUEORE-UHFFFAOYSA-N 2 2 382.346 2.476 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccc(Br)cc1 ZINC000299055214 647270903 /nfs/dbraw/zinc/27/09/03/647270903.db2.gz HXIRBPBVWUEORE-UHFFFAOYSA-N 2 2 382.346 2.476 20 0 GEADLP Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(Br)n1 ZINC000362177736 647567613 /nfs/dbraw/zinc/56/76/13/647567613.db2.gz LKBRFVUDWGUOKK-HNNXBMFYSA-N 2 2 395.345 2.393 20 0 GEADLP Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(Br)n1 ZINC000362177736 647567616 /nfs/dbraw/zinc/56/76/16/647567616.db2.gz LKBRFVUDWGUOKK-HNNXBMFYSA-N 2 2 395.345 2.393 20 0 GEADLP C[C@@H](O)C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)CC1 ZINC000376971140 647852274 /nfs/dbraw/zinc/85/22/74/647852274.db2.gz GBGPYGZXMDIRAJ-CQSZACIVSA-N 2 2 385.961 2.139 20 0 GEADLP CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000414268539 648089010 /nfs/dbraw/zinc/08/90/10/648089010.db2.gz URNFYQQBVWDSRG-UHFFFAOYSA-N 2 2 380.535 2.274 20 0 GEADLP C[N@@H+]1CC[C@H](CNC(=O)NCC(F)(F)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417952937 648267361 /nfs/dbraw/zinc/26/73/61/648267361.db2.gz OWFYDLXISIRUMJ-RISCZKNCSA-N 2 2 378.826 2.365 20 0 GEADLP C[N@H+]1CC[C@H](CNC(=O)NCC(F)(F)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417952937 648267365 /nfs/dbraw/zinc/26/73/65/648267365.db2.gz OWFYDLXISIRUMJ-RISCZKNCSA-N 2 2 378.826 2.365 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@H](C[NH3+])C[C@H]3C)[nH+]c12 ZINC000418025312 648271698 /nfs/dbraw/zinc/27/16/98/648271698.db2.gz UXZKJQYJPNMURC-OLZOCXBDSA-N 2 2 394.317 2.326 20 0 GEADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000420367031 648414576 /nfs/dbraw/zinc/41/45/76/648414576.db2.gz RVRMNGSCDVHOOH-AWEZNQCLSA-N 2 2 375.332 2.201 20 0 GEADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)Nc1ccccc1I ZINC000420365131 648414609 /nfs/dbraw/zinc/41/46/09/648414609.db2.gz KVGYMUBGQLVPLD-CYBMUJFWSA-N 2 2 387.265 2.207 20 0 GEADLP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[NH3+])S(=O)(=O)c1ccc(Br)cc1 ZINC000422768763 648575149 /nfs/dbraw/zinc/57/51/49/648575149.db2.gz UWHNGSTWFIPSFY-ZIAGYGMSSA-N 2 2 375.332 2.471 20 0 GEADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000422995832 648580492 /nfs/dbraw/zinc/58/04/92/648580492.db2.gz ZLEUCKHPHRLPCB-WMLDXEAASA-N 2 2 398.345 2.142 20 0 GEADLP C[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)c1c[nH+]ccc1N ZINC000423113854 648581993 /nfs/dbraw/zinc/58/19/93/648581993.db2.gz ZKEMJSSIOBPBTM-JTQLQIEISA-N 2 2 389.308 2.430 20 0 GEADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(F)c(I)c1 ZINC000423490038 648593159 /nfs/dbraw/zinc/59/31/59/648593159.db2.gz HHWNMISYPNPMLY-JQWIXIFHSA-N 2 2 378.229 2.459 20 0 GEADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2c3cc(Br)ccc3CC2(C)C)CC1 ZINC000429272144 648749364 /nfs/dbraw/zinc/74/93/64/648749364.db2.gz CHQUEYDMCJGHMM-KRWDZBQOSA-N 2 2 380.330 2.436 20 0 GEADLP C[N@H+](CC(=O)Nc1ccc(I)cc1)CC(C)(C)C[NH3+] ZINC000430573380 648764431 /nfs/dbraw/zinc/76/44/31/648764431.db2.gz QIZOMOYQEBHTIQ-UHFFFAOYSA-N 2 2 375.254 2.146 20 0 GEADLP C[N@@H+](CC(=O)Nc1ccc(I)cc1)CC(C)(C)C[NH3+] ZINC000430573380 648764436 /nfs/dbraw/zinc/76/44/36/648764436.db2.gz QIZOMOYQEBHTIQ-UHFFFAOYSA-N 2 2 375.254 2.146 20 0 GEADLP CC(C)(C(N)=O)[NH+]1CCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000431818678 648771503 /nfs/dbraw/zinc/77/15/03/648771503.db2.gz SMFNRNISEOSIJI-UHFFFAOYSA-N 2 2 377.286 2.383 20 0 GEADLP O=C(NCC[NH+]1CCSCC1)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000443547786 648881176 /nfs/dbraw/zinc/88/11/76/648881176.db2.gz DHVNKZQNYRYXCQ-UHFFFAOYSA-N 2 2 382.961 2.046 20 0 GEADLP O=C(NCC[NH+]1CCSCC1)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000443547786 648881180 /nfs/dbraw/zinc/88/11/80/648881180.db2.gz DHVNKZQNYRYXCQ-UHFFFAOYSA-N 2 2 382.961 2.046 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccc(Br)cc1O ZINC000550714032 651114119 /nfs/dbraw/zinc/11/41/19/651114119.db2.gz QQCXCQRZAVUUMH-UHFFFAOYSA-N 2 2 398.345 2.182 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccc(Br)cc1O ZINC000550714032 651114121 /nfs/dbraw/zinc/11/41/21/651114121.db2.gz QQCXCQRZAVUUMH-UHFFFAOYSA-N 2 2 398.345 2.182 20 0 GEADLP C[N@@H+]1CCC[C@H]1C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000552807061 651158556 /nfs/dbraw/zinc/15/85/56/651158556.db2.gz SWPMJIQAPAJXAS-AWEZNQCLSA-N 2 2 381.274 2.362 20 0 GEADLP C[N@H+]1CCC[C@H]1C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000552807061 651158557 /nfs/dbraw/zinc/15/85/57/651158557.db2.gz SWPMJIQAPAJXAS-AWEZNQCLSA-N 2 2 381.274 2.362 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)NC[C@H]3CCC[NH2+]C3)[nH+]c12 ZINC000561188281 651476286 /nfs/dbraw/zinc/47/62/86/651476286.db2.gz VUPHYMRASHPOBQ-ZDUSSCGKSA-N 2 2 394.317 2.247 20 0 GEADLP Cc1cc(Br)cn2c(CN(CC[NH+](C)C)CC[NH+](C)C)c[nH+]c12 ZINC000561970699 651485788 /nfs/dbraw/zinc/48/57/88/651485788.db2.gz CTFJWVNDBLEEQZ-UHFFFAOYSA-N 3 2 382.350 2.330 20 0 GEADLP O[C@@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)COc1cc(F)cc(Br)c1 ZINC000563705166 651538713 /nfs/dbraw/zinc/53/87/13/651538713.db2.gz DRBOADAWWHSZCL-STQMWFEESA-N 2 2 384.249 2.198 20 0 GEADLP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(Br)cc1 ZINC000608373822 651595040 /nfs/dbraw/zinc/59/50/40/651595040.db2.gz IIZITNHHWRQVAL-INIZCTEOSA-N 2 2 384.362 2.490 20 0 GEADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000647970498 651767923 /nfs/dbraw/zinc/76/79/23/651767923.db2.gz SZADZLINWBTFKU-GXTWGEPZSA-N 2 2 375.307 2.047 20 0 GEADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000647970498 651767928 /nfs/dbraw/zinc/76/79/28/651767928.db2.gz SZADZLINWBTFKU-GXTWGEPZSA-N 2 2 375.307 2.047 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1cc(Br)cs1 ZINC000617766830 651971778 /nfs/dbraw/zinc/97/17/78/651971778.db2.gz WGXLHDUYGJHKTO-UHFFFAOYSA-N 2 2 376.364 2.443 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1cc(Br)cs1 ZINC000617766830 651971784 /nfs/dbraw/zinc/97/17/84/651971784.db2.gz WGXLHDUYGJHKTO-UHFFFAOYSA-N 2 2 376.364 2.443 20 0 GEADLP COc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)sc1Br ZINC000617765979 651971960 /nfs/dbraw/zinc/97/19/60/651971960.db2.gz YGLXKIHJSZAXSJ-UHFFFAOYSA-N 2 2 378.336 2.133 20 0 GEADLP COc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)sc1Br ZINC000617765979 651971964 /nfs/dbraw/zinc/97/19/64/651971964.db2.gz YGLXKIHJSZAXSJ-UHFFFAOYSA-N 2 2 378.336 2.133 20 0 GEADLP Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000655752087 652009744 /nfs/dbraw/zinc/00/97/44/652009744.db2.gz ISOVQCBJRCNDBZ-KRWDZBQOSA-N 2 2 381.318 2.345 20 0 GEADLP C[C@H]1CC[C@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CS1(=O)=O ZINC000657636768 652183062 /nfs/dbraw/zinc/18/30/62/652183062.db2.gz IQKFHTAMGJRXIV-GJZGRUSLSA-N 2 2 385.961 2.147 20 0 GEADLP O=C(C[NH2+][C@H](c1ccco1)c1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000577839688 652220462 /nfs/dbraw/zinc/22/04/62/652220462.db2.gz IJBKNKHOUPXINR-KRWDZBQOSA-N 2 2 378.270 2.153 20 0 GEADLP Cc1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)ncc1Br ZINC000623394944 652234409 /nfs/dbraw/zinc/23/44/09/652234409.db2.gz YRRHLODPFRCVJQ-INIZCTEOSA-N 2 2 383.334 2.185 20 0 GEADLP Cc1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)ncc1Br ZINC000623394944 652234415 /nfs/dbraw/zinc/23/44/15/652234415.db2.gz YRRHLODPFRCVJQ-INIZCTEOSA-N 2 2 383.334 2.185 20 0 GEADLP C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000626040196 652380284 /nfs/dbraw/zinc/38/02/84/652380284.db2.gz ZAIGZFTWJMQJEA-GDBMZVCRSA-N 2 2 380.330 2.401 20 0 GEADLP O=S(=O)(CC[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000581246535 652407613 /nfs/dbraw/zinc/40/76/13/652407613.db2.gz ZTOVCTXNXDFFLI-ZDUSSCGKSA-N 2 2 387.343 2.297 20 0 GEADLP O=S(=O)(CC[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000581246535 652407615 /nfs/dbraw/zinc/40/76/15/652407615.db2.gz ZTOVCTXNXDFFLI-ZDUSSCGKSA-N 2 2 387.343 2.297 20 0 GEADLP C[NH2+][C@H](C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)c1cccc(Cl)c1Cl ZINC000662479129 652463228 /nfs/dbraw/zinc/46/32/28/652463228.db2.gz COVDIODQHAJJNQ-GUYCJALGSA-N 2 2 387.355 2.254 20 0 GEADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000662508319 652465378 /nfs/dbraw/zinc/46/53/78/652465378.db2.gz ZCAHAUWBGGDYCL-INIZCTEOSA-N 2 2 398.345 2.266 20 0 GEADLP COc1ccc(Br)c(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000665920453 652562490 /nfs/dbraw/zinc/56/24/90/652562490.db2.gz HKNSJIOHCVMIHJ-UHFFFAOYSA-N 2 2 387.322 2.463 20 0 GEADLP COc1ccc(Br)c(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000665920453 652562492 /nfs/dbraw/zinc/56/24/92/652562492.db2.gz HKNSJIOHCVMIHJ-UHFFFAOYSA-N 2 2 387.322 2.463 20 0 GEADLP Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(CC[NH+]3CCOCC3)C1)CC2 ZINC000669847327 652722464 /nfs/dbraw/zinc/72/24/64/652722464.db2.gz LBNHEBCHRPQAHQ-PKOBYXMFSA-N 2 2 394.357 2.433 20 0 GEADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000639360606 652934384 /nfs/dbraw/zinc/93/43/84/652934384.db2.gz YUZFUUOUEWDEKH-HOCLYGCPSA-N 2 2 379.551 2.253 20 0 GEADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000639360606 652934388 /nfs/dbraw/zinc/93/43/88/652934388.db2.gz YUZFUUOUEWDEKH-HOCLYGCPSA-N 2 2 379.551 2.253 20 0 GEADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)s1 ZINC000639683990 652948231 /nfs/dbraw/zinc/94/82/31/652948231.db2.gz PVXRFICLBUDKFA-UHFFFAOYSA-N 2 2 380.539 2.106 20 0 GEADLP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)s1 ZINC000639683990 652948235 /nfs/dbraw/zinc/94/82/35/652948235.db2.gz PVXRFICLBUDKFA-UHFFFAOYSA-N 2 2 380.539 2.106 20 0 GEADLP Brc1ccccc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641789325 653233978 /nfs/dbraw/zinc/23/39/78/653233978.db2.gz BIKSSZBLLMKBHS-KRWDZBQOSA-N 2 2 382.346 2.335 20 0 GEADLP CN(C(=O)NCC[C@H]1CC1(Cl)Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000856946113 653258623 /nfs/dbraw/zinc/25/86/23/653258623.db2.gz FACYZXBXTVBFJH-DZGCQCFKSA-N 2 2 377.360 2.380 20 0 GEADLP CN(C(=O)NCC[C@H]1CC1(Cl)Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000856946113 653258672 /nfs/dbraw/zinc/25/86/72/653258672.db2.gz FACYZXBXTVBFJH-DZGCQCFKSA-N 2 2 377.360 2.380 20 0 GEADLP CN(C(=O)c1ncccc1Br)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000684440069 653265763 /nfs/dbraw/zinc/26/57/63/653265763.db2.gz NEMFZXXRBHIEOO-AWEZNQCLSA-N 2 2 381.318 2.085 20 0 GEADLP CN(C(=O)c1ncccc1Br)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000684440069 653265765 /nfs/dbraw/zinc/26/57/65/653265765.db2.gz NEMFZXXRBHIEOO-AWEZNQCLSA-N 2 2 381.318 2.085 20 0 GEADLP CN(C(=O)c1cc(Br)cnc1F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000859333322 653443088 /nfs/dbraw/zinc/44/30/88/653443088.db2.gz LICVVACJCCXASA-CQSZACIVSA-N 2 2 399.308 2.224 20 0 GEADLP CN(C(=O)c1cc(Br)cnc1F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000859333322 653443121 /nfs/dbraw/zinc/44/31/21/653443121.db2.gz LICVVACJCCXASA-CQSZACIVSA-N 2 2 399.308 2.224 20 0 GEADLP C[NH+]1CCN(C2CC[NH+](C[C@H](O)c3ccccc3Br)CC2)CC1 ZINC000879593372 653673840 /nfs/dbraw/zinc/67/38/40/653673840.db2.gz FZYFVCVRHOSQNF-SFHVURJKSA-N 2 2 382.346 2.194 20 0 GEADLP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCO[C@H](c3ccccc3Br)C2)C1 ZINC000841022473 653705276 /nfs/dbraw/zinc/70/52/76/653705276.db2.gz NMKQCGRZKDHGEO-PBHICJAKSA-N 2 2 396.329 2.020 20 0 GEADLP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCO[C@H](c3ccccc3Br)C2)C1 ZINC000841022473 653705278 /nfs/dbraw/zinc/70/52/78/653705278.db2.gz NMKQCGRZKDHGEO-PBHICJAKSA-N 2 2 396.329 2.020 20 0 GEADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2cc(F)ccc2Br)CC1 ZINC000863549554 653715360 /nfs/dbraw/zinc/71/53/60/653715360.db2.gz FTNIQTGTHXTQSO-CVEARBPZSA-N 2 2 398.276 2.345 20 0 GEADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2ccc(Br)c(F)c2)CC1 ZINC000863549143 653715425 /nfs/dbraw/zinc/71/54/25/653715425.db2.gz APCOPDWUSZKORN-CVEARBPZSA-N 2 2 398.276 2.345 20 0 GEADLP O=S(=O)(CC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)c1ccc(Cl)cc1 ZINC000863573342 653715977 /nfs/dbraw/zinc/71/59/77/653715977.db2.gz VSZVUCXMVJUNIR-QGZVFWFLSA-N 2 2 386.945 2.204 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCC[C@@H]3CC3(Cl)Cl)C2)CC1 ZINC000844984669 653831663 /nfs/dbraw/zinc/83/16/63/653831663.db2.gz NMIFLWCXOUAQDR-ZIAGYGMSSA-N 2 2 377.360 2.428 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCC[C@@H]3CC3(Cl)Cl)C2)CC1 ZINC000844984669 653831665 /nfs/dbraw/zinc/83/16/65/653831665.db2.gz NMIFLWCXOUAQDR-ZIAGYGMSSA-N 2 2 377.360 2.428 20 0 GEADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000846778745 653910240 /nfs/dbraw/zinc/91/02/40/653910240.db2.gz JXNWTAXOPPSVJD-ZWKOTPCHSA-N 2 2 385.346 2.395 20 0 GEADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000846778745 653910245 /nfs/dbraw/zinc/91/02/45/653910245.db2.gz JXNWTAXOPPSVJD-ZWKOTPCHSA-N 2 2 385.346 2.395 20 0 GEADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000846778745 653910248 /nfs/dbraw/zinc/91/02/48/653910248.db2.gz JXNWTAXOPPSVJD-ZWKOTPCHSA-N 2 2 385.346 2.395 20 0 GEADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000846778745 653910253 /nfs/dbraw/zinc/91/02/53/653910253.db2.gz JXNWTAXOPPSVJD-ZWKOTPCHSA-N 2 2 385.346 2.395 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(Br)c2nccnc2c1 ZINC000824955448 653913519 /nfs/dbraw/zinc/91/35/19/653913519.db2.gz BKLGKGMZCZIJLG-UHFFFAOYSA-N 2 2 394.317 2.006 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(Br)c2nccnc2c1 ZINC000824955448 653913521 /nfs/dbraw/zinc/91/35/21/653913521.db2.gz BKLGKGMZCZIJLG-UHFFFAOYSA-N 2 2 394.317 2.006 20 0 GEADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H]([NH3+])c2cccc(Br)c2)C[C@H](C)O1 ZINC000870926193 654208282 /nfs/dbraw/zinc/20/82/82/654208282.db2.gz WDBHDRFRRJQYHX-DVOMOZLQSA-N 2 2 384.318 2.017 20 0 GEADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H]([NH3+])c2cccc(Br)c2)C[C@H](C)O1 ZINC000870926193 654208286 /nfs/dbraw/zinc/20/82/86/654208286.db2.gz WDBHDRFRRJQYHX-DVOMOZLQSA-N 2 2 384.318 2.017 20 0 GEADLP Cc1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562371 654256700 /nfs/dbraw/zinc/25/67/00/654256700.db2.gz KIAANZLMFACNND-CALCHBBNSA-N 2 2 383.945 2.238 20 0 GEADLP Cc1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562371 654256704 /nfs/dbraw/zinc/25/67/04/654256704.db2.gz KIAANZLMFACNND-CALCHBBNSA-N 2 2 383.945 2.238 20 0 GEADLP O[C@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000905121691 654333140 /nfs/dbraw/zinc/33/31/40/654333140.db2.gz FQXMBEGYUSYBNS-CRAIPNDOSA-N 2 2 388.339 2.023 20 0 GEADLP C[NH+]1CCC(N2CCC([NH2+]Cc3ncc(Br)cc3O)CC2)CC1 ZINC000892763305 654362912 /nfs/dbraw/zinc/36/29/12/654362912.db2.gz RKYKIJJJZOIBHR-UHFFFAOYSA-N 2 2 383.334 2.198 20 0 GEADLP Cn1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(I)n1 ZINC000893940184 654432575 /nfs/dbraw/zinc/43/25/75/654432575.db2.gz KUESKCBCCGMGEW-UHFFFAOYSA-N 2 2 388.297 2.333 20 0 GEADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518369 654459066 /nfs/dbraw/zinc/45/90/66/654459066.db2.gz LCIWYKRVFILSBA-FRRDWIJNSA-N 2 2 399.276 2.160 20 0 GEADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518369 654459069 /nfs/dbraw/zinc/45/90/69/654459069.db2.gz LCIWYKRVFILSBA-FRRDWIJNSA-N 2 2 399.276 2.160 20 0 GEADLP C[C@@H]([NH3+])[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000925479030 654545325 /nfs/dbraw/zinc/54/53/25/654545325.db2.gz PUCLZTRERIJAKH-IUODEOHRSA-N 2 2 379.448 2.226 20 0 GEADLP Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnc1Br ZINC000932575906 654782573 /nfs/dbraw/zinc/78/25/73/654782573.db2.gz JXFGSBKBVLQHKB-INIZCTEOSA-N 2 2 395.345 2.393 20 0 GEADLP Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnc1Br ZINC000932575906 654782576 /nfs/dbraw/zinc/78/25/76/654782576.db2.gz JXFGSBKBVLQHKB-INIZCTEOSA-N 2 2 395.345 2.393 20 0 GEADLP C[C@@H]1CSCCC[NH+]1CCS(=O)(=O)CC[N@H+]1CCCSC[C@@H]1C ZINC000934301447 654843612 /nfs/dbraw/zinc/84/36/12/654843612.db2.gz JSZPDQBXOBGLQN-IYBDPMFKSA-N 2 2 380.645 2.056 20 0 GEADLP C[C@@H]1CSCCC[NH+]1CCS(=O)(=O)CC[N@@H+]1CCCSC[C@@H]1C ZINC000934301447 654843615 /nfs/dbraw/zinc/84/36/15/654843615.db2.gz JSZPDQBXOBGLQN-IYBDPMFKSA-N 2 2 380.645 2.056 20 0 GEADLP C[C@@H]1CSCCC[N@H+]1CCS(=O)(=O)CC[NH+]1CCCSC[C@@H]1C ZINC000934301447 654843617 /nfs/dbraw/zinc/84/36/17/654843617.db2.gz JSZPDQBXOBGLQN-IYBDPMFKSA-N 2 2 380.645 2.056 20 0 GEADLP C[C@@H]1CSCCC[N@@H+]1CCS(=O)(=O)CC[NH+]1CCCSC[C@@H]1C ZINC000934301447 654843619 /nfs/dbraw/zinc/84/36/19/654843619.db2.gz JSZPDQBXOBGLQN-IYBDPMFKSA-N 2 2 380.645 2.056 20 0 GEADLP c1ccc(C[N@@H+]2C[C@H]3CCCN(c4cc[nH+]c(N5CCOCC5)n4)[C@@H]3C2)cc1 ZINC001164626688 719087242 /nfs/dbraw/zinc/08/72/42/719087242.db2.gz INPKNRMQBSQXGH-WOJBJXKFSA-N 2 2 379.508 2.414 20 0 GEADLP c1ccc(C[N@H+]2C[C@H]3CCCN(c4cc[nH+]c(N5CCOCC5)n4)[C@@H]3C2)cc1 ZINC001164626688 719087247 /nfs/dbraw/zinc/08/72/47/719087247.db2.gz INPKNRMQBSQXGH-WOJBJXKFSA-N 2 2 379.508 2.414 20 0 GEADLP COCCN1CC[N@H+](C)C2(CCN(c3[nH+]ccc4cccc(C)c43)CC2)C1=O ZINC001164644504 719283414 /nfs/dbraw/zinc/28/34/14/719283414.db2.gz MIAVPUQGCNHDIX-UHFFFAOYSA-N 2 2 382.508 2.303 20 0 GEADLP COCCN1CC[N@@H+](C)C2(CCN(c3[nH+]ccc4cccc(C)c43)CC2)C1=O ZINC001164644504 719283419 /nfs/dbraw/zinc/28/34/19/719283419.db2.gz MIAVPUQGCNHDIX-UHFFFAOYSA-N 2 2 382.508 2.303 20 0 GEADLP c1nc2n(c1C[NH+]1CCCC1)CCN(c1nc(N3CCCCC3)cc[nH+]1)CC2 ZINC001164729525 720572576 /nfs/dbraw/zinc/57/25/76/720572576.db2.gz QBPSXQRMKMJDNJ-UHFFFAOYSA-N 2 2 381.528 2.322 20 0 GEADLP COc1ccc(C)[nH+]c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740330 720826819 /nfs/dbraw/zinc/82/68/19/720826819.db2.gz KFPGPFRSFDVMLC-GBESFXJTSA-N 2 2 382.512 2.370 20 0 GEADLP COc1ccc(C)[nH+]c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740330 720826822 /nfs/dbraw/zinc/82/68/22/720826822.db2.gz KFPGPFRSFDVMLC-GBESFXJTSA-N 2 2 382.512 2.370 20 0 GEADLP Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2c([nH+]1)CCC2 ZINC001164741240 720841927 /nfs/dbraw/zinc/84/19/27/720841927.db2.gz DUWAQMICUKBLTO-WAOWUJCRSA-N 2 2 393.539 2.245 20 0 GEADLP Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2c([nH+]1)CCC2 ZINC001164741240 720841928 /nfs/dbraw/zinc/84/19/28/720841928.db2.gz DUWAQMICUKBLTO-WAOWUJCRSA-N 2 2 393.539 2.245 20 0 GEADLP Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2c([nH+]1)CCC2 ZINC001164741229 720842031 /nfs/dbraw/zinc/84/20/31/720842031.db2.gz DUWAQMICUKBLTO-BBTUJRGHSA-N 2 2 393.539 2.245 20 0 GEADLP Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2c([nH+]1)CCC2 ZINC001164741229 720842032 /nfs/dbraw/zinc/84/20/32/720842032.db2.gz DUWAQMICUKBLTO-BBTUJRGHSA-N 2 2 393.539 2.245 20 0 GEADLP Cc1c[nH+]c(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc1NCC1CC1 ZINC001164761651 721069370 /nfs/dbraw/zinc/06/93/70/721069370.db2.gz CKDZGYKPFTZINJ-MOPGFXCFSA-N 2 2 381.528 2.299 20 0 GEADLP Cc1c[nH+]c(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc1NCC1CC1 ZINC001164761651 721069376 /nfs/dbraw/zinc/06/93/76/721069376.db2.gz CKDZGYKPFTZINJ-MOPGFXCFSA-N 2 2 381.528 2.299 20 0 GEADLP COC(=O)c1c(C)cc(C)[nH+]c1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164761744 721125130 /nfs/dbraw/zinc/12/51/30/721125130.db2.gz BBKCOPSKJUXXGD-ROUUACIJSA-N 2 2 383.496 2.177 20 0 GEADLP COC(=O)c1c(C)cc(C)[nH+]c1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164761744 721125136 /nfs/dbraw/zinc/12/51/36/721125136.db2.gz BBKCOPSKJUXXGD-ROUUACIJSA-N 2 2 383.496 2.177 20 0 GEADLP COc1cc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)[nH+]c2ccccc21 ZINC001164797727 721516361 /nfs/dbraw/zinc/51/63/61/721516361.db2.gz LYHQWJKSCVHBPL-UHFFFAOYSA-N 2 2 392.507 2.208 20 0 GEADLP C[NH+](C)[C@@H]1CCCN(c2cc(N3CCN(c4ccccc4F)CC3)[nH+]cn2)C1 ZINC001165034277 721896882 /nfs/dbraw/zinc/89/68/82/721896882.db2.gz AJTHKBYDQJKYBN-QGZVFWFLSA-N 2 2 384.503 2.473 20 0 GEADLP C[NH+](C)CC1CCN(c2[nH+]cnc3c2ccn3S(=O)(=O)c2ccccc2)CC1 ZINC001165041765 721944498 /nfs/dbraw/zinc/94/44/98/721944498.db2.gz KUCBMAMBFBNJKF-UHFFFAOYSA-N 2 2 399.520 2.446 20 0 GEADLP CCOc1cc[nH+]c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1 ZINC001164946906 721974028 /nfs/dbraw/zinc/97/40/28/721974028.db2.gz YSAYRGPJSAHBFK-UHFFFAOYSA-N 2 2 380.492 2.451 20 0 GEADLP CCOc1cc[nH+]c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1 ZINC001164946906 721974030 /nfs/dbraw/zinc/97/40/30/721974030.db2.gz YSAYRGPJSAHBFK-UHFFFAOYSA-N 2 2 380.492 2.451 20 0 GEADLP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4nc(N5CCCC5)cc[nH+]4)CC[C@H]3C2)c1 ZINC001164981376 722099027 /nfs/dbraw/zinc/09/90/27/722099027.db2.gz LFJQBKCDONXIPJ-PMACEKPBSA-N 2 2 394.523 2.199 20 0 GEADLP c1cncc(C[N@H+]2CCO[C@H]3CN(c4nc(N5CCCC5)cc[nH+]4)CC[C@H]3C2)c1 ZINC001164981376 722099028 /nfs/dbraw/zinc/09/90/28/722099028.db2.gz LFJQBKCDONXIPJ-PMACEKPBSA-N 2 2 394.523 2.199 20 0 GEADLP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000153373774 531595751 /nfs/dbraw/zinc/59/57/51/531595751.db2.gz MWQYZOKGKZPVKQ-AEFFLSMTSA-N 2 2 398.345 2.015 20 0 GEADLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(Br)cn3)CC2)CC1 ZINC000171961008 531925917 /nfs/dbraw/zinc/92/59/17/531925917.db2.gz HNCKGTPYCSNWBL-UHFFFAOYSA-N 2 2 395.345 2.220 20 0 GEADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000122193494 532060856 /nfs/dbraw/zinc/06/08/56/532060856.db2.gz JNYGMRMXFFKEMO-WBVHZDCISA-N 2 2 379.551 2.137 20 0 GEADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000122193494 532060865 /nfs/dbraw/zinc/06/08/65/532060865.db2.gz JNYGMRMXFFKEMO-WBVHZDCISA-N 2 2 379.551 2.137 20 0 GEADLP Brc1ccc2[nH+]cc(CN3CC[NH+](C4CCOCC4)CC3)n2c1 ZINC000129727223 532183152 /nfs/dbraw/zinc/18/31/52/532183152.db2.gz NGHRURFAVXCKBV-UHFFFAOYSA-N 2 2 379.302 2.393 20 0 GEADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000181022245 532288945 /nfs/dbraw/zinc/28/89/45/532288945.db2.gz YTRQKGGYCDZMLR-RHSMWYFYSA-N 2 2 396.329 2.033 20 0 GEADLP C[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000181022266 532289216 /nfs/dbraw/zinc/28/92/16/532289216.db2.gz YTRQKGGYCDZMLR-YOEHRIQHSA-N 2 2 396.329 2.033 20 0 GEADLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000181034522 532289344 /nfs/dbraw/zinc/28/93/44/532289344.db2.gz CZNNXXSPBRMSGU-PBHICJAKSA-N 2 2 396.329 2.033 20 0 GEADLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000181022227 532289446 /nfs/dbraw/zinc/28/94/46/532289446.db2.gz YTRQKGGYCDZMLR-WMLDXEAASA-N 2 2 396.329 2.033 20 0 GEADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cncc(Br)c2)CC1 ZINC000186607763 532341331 /nfs/dbraw/zinc/34/13/31/532341331.db2.gz CGCWWKXADFYQLB-UHFFFAOYSA-N 2 2 376.302 2.281 20 0 GEADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000183738936 532328483 /nfs/dbraw/zinc/32/84/83/532328483.db2.gz HKFCQBLCWWQXIY-CYBMUJFWSA-N 2 2 383.327 2.300 20 0 GEADLP CC[N@H+](CCO)CCNC1CC[NH+](Cc2ccccc2Br)CC1 ZINC000184537276 532333629 /nfs/dbraw/zinc/33/36/29/532333629.db2.gz OOKMGLUFBUHEKU-UHFFFAOYSA-N 2 2 384.362 2.317 20 0 GEADLP CC[N@@H+](CCO)CCNC1CC[NH+](Cc2ccccc2Br)CC1 ZINC000184537276 532333630 /nfs/dbraw/zinc/33/36/30/532333630.db2.gz OOKMGLUFBUHEKU-UHFFFAOYSA-N 2 2 384.362 2.317 20 0 GEADLP COc1cc2[nH+]ccc(NC[C@H](C)[NH+]3CCN(C)CC3)c2cc1Br ZINC000425219298 532374649 /nfs/dbraw/zinc/37/46/49/532374649.db2.gz BHUMYWFPKHDAAI-ZDUSSCGKSA-N 2 2 393.329 2.476 20 0 GEADLP COc1cc2[nH+]ccc(NC[C@H](C)N3CC[NH+](C)CC3)c2cc1Br ZINC000425219298 532374662 /nfs/dbraw/zinc/37/46/62/532374662.db2.gz BHUMYWFPKHDAAI-ZDUSSCGKSA-N 2 2 393.329 2.476 20 0 GEADLP COC(=O)COC[C@H](C)[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000294923457 532390789 /nfs/dbraw/zinc/39/07/89/532390789.db2.gz BQNHFEYRINEUCU-LBPRGKRZSA-N 2 2 384.274 2.115 20 0 GEADLP C[C@H]1CN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C[C@@H]1[NH+](C)C ZINC000465285534 532414035 /nfs/dbraw/zinc/41/40/35/532414035.db2.gz MODPZDZSNYVZIC-FZMZJTMJSA-N 2 2 380.290 2.188 20 0 GEADLP Cc1cc(C[NH2+]Cc2ccccc2S(=O)(=O)N2CC[NH+](C)CC2)cs1 ZINC000295192995 532416294 /nfs/dbraw/zinc/41/62/94/532416294.db2.gz ODRXXWAEUCMAFS-UHFFFAOYSA-N 2 2 379.551 2.282 20 0 GEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000466226466 532423393 /nfs/dbraw/zinc/42/33/93/532423393.db2.gz NIDAMKJNFOSNPB-ABAIWWIYSA-N 2 2 392.301 2.379 20 0 GEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000466226466 532423400 /nfs/dbraw/zinc/42/34/00/532423400.db2.gz NIDAMKJNFOSNPB-ABAIWWIYSA-N 2 2 392.301 2.379 20 0 GEADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ncc(Br)cc1F ZINC000427696024 532430415 /nfs/dbraw/zinc/43/04/15/532430415.db2.gz OKFXMRMZGNQDBR-NEPJUHHUSA-N 2 2 387.297 2.221 20 0 GEADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ncc(Br)cc1F ZINC000427696024 532430420 /nfs/dbraw/zinc/43/04/20/532430420.db2.gz OKFXMRMZGNQDBR-NEPJUHHUSA-N 2 2 387.297 2.221 20 0 GEADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1c(F)ccc(Br)c1F ZINC000281864570 532439968 /nfs/dbraw/zinc/43/99/68/532439968.db2.gz CEAUOJOVICZLTN-CYBMUJFWSA-N 2 2 376.245 2.157 20 0 GEADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1c(F)ccc(Br)c1F ZINC000281864570 532439974 /nfs/dbraw/zinc/43/99/74/532439974.db2.gz CEAUOJOVICZLTN-CYBMUJFWSA-N 2 2 376.245 2.157 20 0 GEADLP Cc1cc(Br)ccc1NC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000683895497 532466935 /nfs/dbraw/zinc/46/69/35/532466935.db2.gz ZJEHOZNYCBCSIG-UHFFFAOYSA-N 2 2 378.274 2.241 20 0 GEADLP CC1=C(Br)CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000373782558 532468110 /nfs/dbraw/zinc/46/81/10/532468110.db2.gz LJVUTDAVDONENV-CQSZACIVSA-N 2 2 385.350 2.239 20 0 GEADLP CC1=C(Br)CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000373782558 532468117 /nfs/dbraw/zinc/46/81/17/532468117.db2.gz LJVUTDAVDONENV-CQSZACIVSA-N 2 2 385.350 2.239 20 0 GEADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Br)cc2)C[C@@H](C)O1 ZINC000563002912 532492895 /nfs/dbraw/zinc/49/28/95/532492895.db2.gz LPXKRTIKVFTHLN-SASKPELWSA-N 2 2 383.330 2.365 20 0 GEADLP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@H]1CSC[NH2+]1 ZINC000236686555 532494330 /nfs/dbraw/zinc/49/43/30/532494330.db2.gz WRUZVUHXDIIGQD-OAHLLOKOSA-N 2 2 384.343 2.192 20 0 GEADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430972340 532503671 /nfs/dbraw/zinc/50/36/71/532503671.db2.gz RUPLAZRAGHBVRA-GYSYKLTISA-N 2 2 387.265 2.287 20 0 GEADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430972340 532503676 /nfs/dbraw/zinc/50/36/76/532503676.db2.gz RUPLAZRAGHBVRA-GYSYKLTISA-N 2 2 387.265 2.287 20 0 GEADLP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)Nc1cccc(I)c1 ZINC000521045004 532504282 /nfs/dbraw/zinc/50/42/82/532504282.db2.gz FDXLZKZMKAOQJH-MRXNPFEDSA-N 2 2 399.276 2.305 20 0 GEADLP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)Nc1cccc(I)c1 ZINC000521045004 532504290 /nfs/dbraw/zinc/50/42/90/532504290.db2.gz FDXLZKZMKAOQJH-MRXNPFEDSA-N 2 2 399.276 2.305 20 0 GEADLP COc1ccc(C[NH+]2CCC(N3CC[N@H+](C)CC3=O)CC2)cc1Br ZINC000374769347 532517556 /nfs/dbraw/zinc/51/75/56/532517556.db2.gz BTTSEEAGTMGSAB-UHFFFAOYSA-N 2 2 396.329 2.196 20 0 GEADLP COc1ccc(C[NH+]2CCC(N3CC[N@@H+](C)CC3=O)CC2)cc1Br ZINC000374769347 532517563 /nfs/dbraw/zinc/51/75/63/532517563.db2.gz BTTSEEAGTMGSAB-UHFFFAOYSA-N 2 2 396.329 2.196 20 0 GEADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000653095863 532532096 /nfs/dbraw/zinc/53/20/96/532532096.db2.gz YMSANJBAHFXUNJ-INIZCTEOSA-N 2 2 394.317 2.106 20 0 GEADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCc2cc(Br)ccc2F)C[C@@H](C)O1 ZINC000564846196 532534203 /nfs/dbraw/zinc/53/42/03/532534203.db2.gz IJCGSLROQXFPNT-XJKCOSOUSA-N 2 2 389.309 2.190 20 0 GEADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H](c2nccs2)C(F)(F)F)CC1 ZINC000297035504 532562256 /nfs/dbraw/zinc/56/22/56/532562256.db2.gz RHOJPTPJTGWWJY-GFCCVEGCSA-N 2 2 379.452 2.072 20 0 GEADLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]CCCNC(=O)C(F)(F)F)[C@@H](C)C2)s1 ZINC000375514702 532562876 /nfs/dbraw/zinc/56/28/76/532562876.db2.gz OBRCWEUPMMUBEE-SMDDNHRTSA-N 2 2 378.464 2.320 20 0 GEADLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]CCCNC(=O)C(F)(F)F)[C@@H](C)C2)s1 ZINC000375514702 532562884 /nfs/dbraw/zinc/56/28/84/532562884.db2.gz OBRCWEUPMMUBEE-SMDDNHRTSA-N 2 2 378.464 2.320 20 0 GEADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3sccc3Br)CC2)CC1 ZINC000565082889 532548379 /nfs/dbraw/zinc/54/83/79/532548379.db2.gz LTNTZGGPQJHTID-UHFFFAOYSA-N 2 2 386.359 2.497 20 0 GEADLP NC(=O)C[NH+]1CCN(c2cc(C3CC3)[nH+]c3c(Br)cccc23)CC1 ZINC000565929143 532584268 /nfs/dbraw/zinc/58/42/68/532584268.db2.gz FZNJGYQZUNHGLT-UHFFFAOYSA-N 2 2 389.297 2.482 20 0 GEADLP COc1cc(C[NH2+]CC23CC(C2)C[NH2+]3)cc(I)c1OC ZINC000596102536 532586576 /nfs/dbraw/zinc/58/65/76/532586576.db2.gz JGZLMNHRLSSDGJ-UHFFFAOYSA-N 2 2 388.249 2.150 20 0 GEADLP c1csc(CC[NH+]2CCN(c3cc(N4CCSCC4)[nH+]cn3)CC2)c1 ZINC000434100516 532586796 /nfs/dbraw/zinc/58/67/96/532586796.db2.gz VELGXXSKLPJNPY-UHFFFAOYSA-N 2 2 375.567 2.456 20 0 GEADLP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cncc(Br)c1 ZINC000566500284 532614205 /nfs/dbraw/zinc/61/42/05/532614205.db2.gz KSKVJIAZOMFFJO-ZDUSSCGKSA-N 2 2 383.334 2.437 20 0 GEADLP Ic1ccc(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000596651229 532601386 /nfs/dbraw/zinc/60/13/86/532601386.db2.gz CNJDPMXQHGOSRL-HOTGVXAUSA-N 2 2 386.277 2.190 20 0 GEADLP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccccc1I ZINC000596653449 532602225 /nfs/dbraw/zinc/60/22/25/532602225.db2.gz KLTMIKQQYHSBAG-SECBINFHSA-N 2 2 384.221 2.096 20 0 GEADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435625233 532623276 /nfs/dbraw/zinc/62/32/76/532623276.db2.gz ZWRUVGSRJJEVQB-MRXNPFEDSA-N 2 2 398.345 2.360 20 0 GEADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435625233 532623284 /nfs/dbraw/zinc/62/32/84/532623284.db2.gz ZWRUVGSRJJEVQB-MRXNPFEDSA-N 2 2 398.345 2.360 20 0 GEADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000436047814 532624335 /nfs/dbraw/zinc/62/43/35/532624335.db2.gz FMIAUCUOCMSEKD-CYBMUJFWSA-N 2 2 387.311 2.251 20 0 GEADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000436047814 532624345 /nfs/dbraw/zinc/62/43/45/532624345.db2.gz FMIAUCUOCMSEKD-CYBMUJFWSA-N 2 2 387.311 2.251 20 0 GEADLP NC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000568237313 532673952 /nfs/dbraw/zinc/67/39/52/532673952.db2.gz XMMUGISZBQIYFB-BBWFWOEESA-N 2 2 396.329 2.194 20 0 GEADLP COc1ncc(Br)cc1CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000660138954 532674284 /nfs/dbraw/zinc/67/42/84/532674284.db2.gz CMDQTWWMVBMBFB-UHFFFAOYSA-N 2 2 385.350 2.311 20 0 GEADLP COc1ncc(Br)cc1CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000660138954 532674293 /nfs/dbraw/zinc/67/42/93/532674293.db2.gz CMDQTWWMVBMBFB-UHFFFAOYSA-N 2 2 385.350 2.311 20 0 GEADLP C[C@]1(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C[NH2+]CCO1 ZINC000638110626 532679391 /nfs/dbraw/zinc/67/93/91/532679391.db2.gz NWSPIBAMQJRXGY-GOSISDBHSA-N 2 2 386.323 2.453 20 0 GEADLP CCSc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(Br)c1 ZINC000600707611 532679922 /nfs/dbraw/zinc/67/99/22/532679922.db2.gz CNFCAIBBSVNQPI-IUODEOHRSA-N 2 2 384.343 2.305 20 0 GEADLP CCSc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(Br)c1 ZINC000600707611 532679929 /nfs/dbraw/zinc/67/99/29/532679929.db2.gz CNFCAIBBSVNQPI-IUODEOHRSA-N 2 2 384.343 2.305 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCc1cccc(Br)c1 ZINC000665108809 532693493 /nfs/dbraw/zinc/69/34/93/532693493.db2.gz PNOKFMBOYBGGLA-UHFFFAOYSA-N 2 2 385.350 2.174 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCc1cccc(Br)c1 ZINC000665108809 532693497 /nfs/dbraw/zinc/69/34/97/532693497.db2.gz PNOKFMBOYBGGLA-UHFFFAOYSA-N 2 2 385.350 2.174 20 0 GEADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(c3cccc(Br)c3)CC2)CC1 ZINC000439316543 532690736 /nfs/dbraw/zinc/69/07/36/532690736.db2.gz LIFNFOXCDXUEFA-UHFFFAOYSA-N 2 2 380.330 2.403 20 0 GEADLP CCn1cc[nH+]c1[C@H](NC1C[NH2+]C1)c1ccc(I)cc1 ZINC000581364030 532754529 /nfs/dbraw/zinc/75/45/29/532754529.db2.gz JNLWFRRDCHSWAA-CQSZACIVSA-N 2 2 382.249 2.158 20 0 GEADLP [NH3+]CCCOC1CC[NH+](CC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000321521301 532787046 /nfs/dbraw/zinc/78/70/46/532787046.db2.gz LLPOLHFMIGEREN-UHFFFAOYSA-N 2 2 388.281 2.357 20 0 GEADLP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCO[C@H](c3cccc(Br)c3)C2)C1 ZINC000414751604 532834578 /nfs/dbraw/zinc/83/45/78/532834578.db2.gz SSTHNFFPUPDNGB-YOEHRIQHSA-N 2 2 396.329 2.020 20 0 GEADLP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCO[C@H](c3cccc(Br)c3)C2)C1 ZINC000414751604 532834582 /nfs/dbraw/zinc/83/45/82/532834582.db2.gz SSTHNFFPUPDNGB-YOEHRIQHSA-N 2 2 396.329 2.020 20 0 GEADLP CCOCCOc1ccc(Br)cc1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415049300 532837195 /nfs/dbraw/zinc/83/71/95/532837195.db2.gz XUIKHJBFDCBPET-INIZCTEOSA-N 2 2 387.318 2.333 20 0 GEADLP COc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415094481 532838014 /nfs/dbraw/zinc/83/80/14/532838014.db2.gz KAIQLZHLRLKZFF-NSHDSACASA-N 2 2 394.107 2.298 20 0 GEADLP COc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000415124953 532838028 /nfs/dbraw/zinc/83/80/28/532838028.db2.gz KPMNEJVQBKJHQE-OAHLLOKOSA-N 2 2 380.290 2.345 20 0 GEADLP COc1ccc(Br)cc1C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000415124953 532838030 /nfs/dbraw/zinc/83/80/30/532838030.db2.gz KPMNEJVQBKJHQE-OAHLLOKOSA-N 2 2 380.290 2.345 20 0 GEADLP O=C1N[C@H]2C[N@H+](Cc3cc(Br)cs3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415141404 532839018 /nfs/dbraw/zinc/83/90/18/532839018.db2.gz PDBHPSSMAOTNCF-LSDHHAIUSA-N 2 2 399.358 2.231 20 0 GEADLP O=C1N[C@H]2C[N@@H+](Cc3cc(Br)cs3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415141404 532839022 /nfs/dbraw/zinc/83/90/22/532839022.db2.gz PDBHPSSMAOTNCF-LSDHHAIUSA-N 2 2 399.358 2.231 20 0 GEADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@@H](C)C(=O)Nc2cc(C)no2)[C@@H]1c1cnn(C)c1 ZINC000328645181 209151923 /nfs/dbraw/zinc/15/19/23/209151923.db2.gz SBWPORWUGCNAQA-TXPKVOOTSA-N 2 2 388.516 2.449 20 0 GEADLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@@H](C)C(=O)Nc2cc(C)no2)[C@@H]1c1cnn(C)c1 ZINC000328645181 209151927 /nfs/dbraw/zinc/15/19/27/209151927.db2.gz SBWPORWUGCNAQA-TXPKVOOTSA-N 2 2 388.516 2.449 20 0 GEADLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@@H](C)C(=O)Nc2cc(C)no2)[C@@H]1c1cnn(C)c1 ZINC000328645181 209151930 /nfs/dbraw/zinc/15/19/30/209151930.db2.gz SBWPORWUGCNAQA-TXPKVOOTSA-N 2 2 388.516 2.449 20 0 GEADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)Nc2cc(C)no2)[C@@H]1c1cnn(C)c1 ZINC000328645181 209151933 /nfs/dbraw/zinc/15/19/33/209151933.db2.gz SBWPORWUGCNAQA-TXPKVOOTSA-N 2 2 388.516 2.449 20 0 GEADLP [NH3+][C@H]1CCC[C@H](NC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000333276792 532866604 /nfs/dbraw/zinc/86/66/04/532866604.db2.gz GXYHIQNVZHSZFS-RYUDHWBXSA-N 2 2 398.305 2.072 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@H](C[NH+](C)C)C3)[nH+]c12 ZINC000275240258 532870076 /nfs/dbraw/zinc/87/00/76/532870076.db2.gz KCVCZKFDDYOZDE-ZDUSSCGKSA-N 2 2 394.317 2.498 20 0 GEADLP O=C(C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccc(I)cc1 ZINC000423100857 532894290 /nfs/dbraw/zinc/89/42/90/532894290.db2.gz HTNAKCXYSBROSA-PBWFPOADSA-N 2 2 385.249 2.102 20 0 GEADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])[nH+]c12 ZINC000423039843 532892913 /nfs/dbraw/zinc/89/29/13/532892913.db2.gz RWKMTCVVJBDEFO-APHBMKBZSA-N 3 2 381.318 2.290 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)COc3ccc(Br)cc3)C2)CC1 ZINC000363338134 532898639 /nfs/dbraw/zinc/89/86/39/532898639.db2.gz AEHGFPUWCPIADJ-HNNXBMFYSA-N 2 2 396.329 2.113 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)COc3ccc(Br)cc3)C2)CC1 ZINC000363338134 532898640 /nfs/dbraw/zinc/89/86/40/532898640.db2.gz AEHGFPUWCPIADJ-HNNXBMFYSA-N 2 2 396.329 2.113 20 0 GEADLP CSc1nc2ncnc(N3CC[N@@H+](C4CC[NH+](C)CC4)[C@@H](C)C3)c2s1 ZINC000364377996 532906367 /nfs/dbraw/zinc/90/63/67/532906367.db2.gz CCLSJQSYQVHVJA-LBPRGKRZSA-N 2 2 378.571 2.413 20 0 GEADLP CSc1nc2ncnc(N3CC[N@H+](C4CC[NH+](C)CC4)[C@@H](C)C3)c2s1 ZINC000364377996 532906369 /nfs/dbraw/zinc/90/63/69/532906369.db2.gz CCLSJQSYQVHVJA-LBPRGKRZSA-N 2 2 378.571 2.413 20 0 GEADLP C[C@H]1CN(C(=O)c2ccc(Br)cc2O)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000370717605 532944950 /nfs/dbraw/zinc/94/49/50/532944950.db2.gz WBKOHBPISXASIX-ZDUSSCGKSA-N 2 2 396.329 2.395 20 0 GEADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736530294 599090968 /nfs/dbraw/zinc/09/09/68/599090968.db2.gz HMGWKZAXAPUHOW-IBGZPJMESA-N 2 2 393.495 2.025 20 0 GEADLP C[C@H]1C[NH+](C(C)(C)CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C[C@H](C)O1 ZINC000736290835 599261241 /nfs/dbraw/zinc/26/12/41/599261241.db2.gz KAMIMGLDFYRQEP-KBPBESRZSA-N 2 2 381.484 2.137 20 0 GEADLP Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](n3cc[nH+]c3C)C2)c(-c2nn[nH]n2)c1C ZINC000737547357 598369164 /nfs/dbraw/zinc/36/91/64/598369164.db2.gz KBIUBXQFXJFNNC-WFASDCNBSA-N 2 2 398.471 2.246 20 0 GEADLP Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](n3cc[nH+]c3C)C2)c(-c2nn[nH]n2)c1C ZINC000737547357 598369165 /nfs/dbraw/zinc/36/91/65/598369165.db2.gz KBIUBXQFXJFNNC-WFASDCNBSA-N 2 2 398.471 2.246 20 0 GEADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)o3)cc2)C[C@@H](C)O1 ZINC000820759364 599398710 /nfs/dbraw/zinc/39/87/10/599398710.db2.gz JVZRKGDODFGWDH-HUUCEWRRSA-N 2 2 382.468 2.359 20 0 GEADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1-c1nn[nH]n1 ZINC000821809772 599442441 /nfs/dbraw/zinc/44/24/41/599442441.db2.gz RTVNAOFFKYGLRK-DNVCBOLYSA-N 2 2 393.495 2.271 20 0 GEADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1-c1nn[nH]n1 ZINC000821809772 599442443 /nfs/dbraw/zinc/44/24/43/599442443.db2.gz RTVNAOFFKYGLRK-DNVCBOLYSA-N 2 2 393.495 2.271 20 0 GEADLP c1ccc(C[NH+]2CCC(Nc3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)nc1 ZINC000823779433 599484442 /nfs/dbraw/zinc/48/44/42/599484442.db2.gz DCZSACVKTCSLAI-UHFFFAOYSA-N 2 2 386.463 2.308 20 0 GEADLP CCOCC[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc32)CC1 ZINC000821378958 599535334 /nfs/dbraw/zinc/53/53/34/599535334.db2.gz YDYKOXGZAUPIFJ-UHFFFAOYSA-N 2 2 381.484 2.190 20 0 GEADLP COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000826176034 607477623 /nfs/dbraw/zinc/47/76/23/607477623.db2.gz YIIJNSJTYUVCAS-AEFFLSMTSA-N 2 2 398.511 2.203 20 0 GEADLP COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000826176034 607477626 /nfs/dbraw/zinc/47/76/26/607477626.db2.gz YIIJNSJTYUVCAS-AEFFLSMTSA-N 2 2 398.511 2.203 20 0 GEADLP COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000826176034 607477628 /nfs/dbraw/zinc/47/76/28/607477628.db2.gz YIIJNSJTYUVCAS-AEFFLSMTSA-N 2 2 398.511 2.203 20 0 GEADLP COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000826176034 607477629 /nfs/dbraw/zinc/47/76/29/607477629.db2.gz YIIJNSJTYUVCAS-AEFFLSMTSA-N 2 2 398.511 2.203 20 0 GEADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)c2)CCO1 ZINC000820758838 606412606 /nfs/dbraw/zinc/41/26/06/606412606.db2.gz DORLZCQFUHZTRA-AWEZNQCLSA-N 2 2 384.509 2.439 20 0 GEADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)c2)CCO1 ZINC000820758838 606412608 /nfs/dbraw/zinc/41/26/08/606412608.db2.gz DORLZCQFUHZTRA-AWEZNQCLSA-N 2 2 384.509 2.439 20 0 GEADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(-c4nn[nH]n4)s3)[nH+]c2)CC1 ZINC000821583396 607229679 /nfs/dbraw/zinc/22/96/79/607229679.db2.gz UGAWIQNEQJVIRR-UHFFFAOYSA-N 2 2 384.513 2.466 20 0 GEADLP Cc1nn(-c2ccccc2)c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1-c1nn[nH]n1 ZINC000826332089 608314981 /nfs/dbraw/zinc/31/49/81/608314981.db2.gz JQRMHXJGKBFKOB-RHSMWYFYSA-N 2 2 380.500 2.275 20 0 GEADLP Cc1nn(-c2ccccc2)c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1-c1nn[nH]n1 ZINC000826332089 608314984 /nfs/dbraw/zinc/31/49/84/608314984.db2.gz JQRMHXJGKBFKOB-RHSMWYFYSA-N 2 2 380.500 2.275 20 0 GEADLP C[NH+](C)[C@@H](CNc1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21)C1CC1 ZINC000825851568 608377170 /nfs/dbraw/zinc/37/71/70/608377170.db2.gz WEYJKFSDWXGZBN-HNNXBMFYSA-N 2 2 389.410 2.190 20 0 GEADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)nc[nH+]1 ZINC000826090993 609341356 /nfs/dbraw/zinc/34/13/56/609341356.db2.gz UGEOKWHKNOKTET-TZMCWYRMSA-N 2 2 397.462 2.157 20 0 GEADLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2ccc(I)cc2)CC1 ZINC000449125406 650032289 /nfs/dbraw/zinc/03/22/89/650032289.db2.gz SEVDAOBEOIYYMZ-INIZCTEOSA-N 2 2 388.293 2.474 20 0 GEADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(F)c(I)c1 ZINC000453193410 650206766 /nfs/dbraw/zinc/20/67/66/650206766.db2.gz HTVSYFVCEFWCAU-IINYFYTJSA-N 2 2 378.229 2.148 20 0 GEADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(F)c(I)c1 ZINC000453193410 650206769 /nfs/dbraw/zinc/20/67/69/650206769.db2.gz HTVSYFVCEFWCAU-IINYFYTJSA-N 2 2 378.229 2.148 20 0 GEADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000501543809 650394672 /nfs/dbraw/zinc/39/46/72/650394672.db2.gz AYADCBSRHFZSGE-XJKSGUPXSA-N 2 2 396.329 2.415 20 0 GEADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000540183582 650858989 /nfs/dbraw/zinc/85/89/89/650858989.db2.gz RPFINPKWBSRREG-LSDHHAIUSA-N 2 2 385.961 2.245 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cncc(Br)c1 ZINC000126562303 643735324 /nfs/dbraw/zinc/73/53/24/643735324.db2.gz QGROFSJLIKJNIX-UHFFFAOYSA-N 2 2 384.322 2.334 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cncc(Br)c1 ZINC000126562303 643735329 /nfs/dbraw/zinc/73/53/29/643735329.db2.gz QGROFSJLIKJNIX-UHFFFAOYSA-N 2 2 384.322 2.334 20 0 GEADLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280843886 646724423 /nfs/dbraw/zinc/72/44/23/646724423.db2.gz ZCOJWCGZMDORTG-LBPRGKRZSA-N 2 2 390.347 2.233 20 0 GEADLP CCn1cc(Br)cc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000323706350 647298524 /nfs/dbraw/zinc/29/85/24/647298524.db2.gz LUWDRNOMJCXRDX-UHFFFAOYSA-N 2 2 385.350 2.369 20 0 GEADLP CCn1cc(Br)cc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000323706350 647298530 /nfs/dbraw/zinc/29/85/30/647298530.db2.gz LUWDRNOMJCXRDX-UHFFFAOYSA-N 2 2 385.350 2.369 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3cc(F)ccc3Br)C2)CC1 ZINC000363730762 647607187 /nfs/dbraw/zinc/60/71/87/647607187.db2.gz QTOTVLXVYQCNFF-HNNXBMFYSA-N 2 2 398.320 2.415 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3cc(F)ccc3Br)C2)CC1 ZINC000363730762 647607193 /nfs/dbraw/zinc/60/71/93/647607193.db2.gz QTOTVLXVYQCNFF-HNNXBMFYSA-N 2 2 398.320 2.415 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3cc(Br)ccc3F)C2)CC1 ZINC000363730895 647607285 /nfs/dbraw/zinc/60/72/85/647607285.db2.gz RRTSJORRTRLANN-HNNXBMFYSA-N 2 2 398.320 2.415 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3cc(Br)ccc3F)C2)CC1 ZINC000363730895 647607287 /nfs/dbraw/zinc/60/72/87/647607287.db2.gz RRTSJORRTRLANN-HNNXBMFYSA-N 2 2 398.320 2.415 20 0 GEADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000368103231 647750943 /nfs/dbraw/zinc/75/09/43/647750943.db2.gz UFHNGUCBTPOFKU-GXSJLCMTSA-N 2 2 399.314 2.028 20 0 GEADLP CC[NH2+]CCNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000418324788 648292865 /nfs/dbraw/zinc/29/28/65/648292865.db2.gz KQHUAVAMYWSGBG-UHFFFAOYSA-N 2 2 384.278 2.060 20 0 GEADLP Brc1ccc2nc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cn2c1 ZINC000422737277 648574241 /nfs/dbraw/zinc/57/42/41/648574241.db2.gz ZMDHZVBQGAJUTA-ARFHVFGLSA-N 2 2 379.302 2.344 20 0 GEADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000422995833 648580371 /nfs/dbraw/zinc/58/03/71/648580371.db2.gz ZLEUCKHPHRLPCB-YOEHRIQHSA-N 2 2 398.345 2.142 20 0 GEADLP Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c(C)s1 ZINC000422998338 648580401 /nfs/dbraw/zinc/58/04/01/648580401.db2.gz PVXUMJYUPRSRMS-PBHICJAKSA-N 2 2 381.567 2.191 20 0 GEADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000423170276 648586755 /nfs/dbraw/zinc/58/67/55/648586755.db2.gz LMNPZGIAWXLIBF-SUYBPPKGSA-N 2 2 389.309 2.096 20 0 GEADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423300476 648589477 /nfs/dbraw/zinc/58/94/77/648589477.db2.gz RRKZFFYBEQMSIV-PWSUYJOCSA-N 2 2 378.336 2.265 20 0 GEADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000430565730 648764448 /nfs/dbraw/zinc/76/44/48/648764448.db2.gz GAGXSEZQKKKAHX-AWEZNQCLSA-N 2 2 375.254 2.193 20 0 GEADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000567678945 651633982 /nfs/dbraw/zinc/63/39/82/651633982.db2.gz FQSJFKSBKUCKAP-INIZCTEOSA-N 2 2 384.318 2.478 20 0 GEADLP COCC[N@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000567678945 651633984 /nfs/dbraw/zinc/63/39/84/651633984.db2.gz FQSJFKSBKUCKAP-INIZCTEOSA-N 2 2 384.318 2.478 20 0 GEADLP CC[C@@H]1C[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000647937918 651767158 /nfs/dbraw/zinc/76/71/58/651767158.db2.gz DWESHDNLHGFRLE-PBHICJAKSA-N 2 2 398.345 2.346 20 0 GEADLP CC[C@@H]1C[N@@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000647937918 651767162 /nfs/dbraw/zinc/76/71/62/651767162.db2.gz DWESHDNLHGFRLE-PBHICJAKSA-N 2 2 398.345 2.346 20 0 GEADLP Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000655759992 652010332 /nfs/dbraw/zinc/01/03/32/652010332.db2.gz JRTIQPVMXFRGMC-QGZVFWFLSA-N 2 2 379.302 2.099 20 0 GEADLP Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000655759992 652010342 /nfs/dbraw/zinc/01/03/42/652010342.db2.gz JRTIQPVMXFRGMC-QGZVFWFLSA-N 2 2 379.302 2.099 20 0 GEADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000655760550 652010658 /nfs/dbraw/zinc/01/06/58/652010658.db2.gz TUOHSFRKURBTJF-KRWDZBQOSA-N 2 2 379.302 2.099 20 0 GEADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000655760550 652010659 /nfs/dbraw/zinc/01/06/59/652010659.db2.gz TUOHSFRKURBTJF-KRWDZBQOSA-N 2 2 379.302 2.099 20 0 GEADLP Cc1cc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)ncc1Br ZINC000623394945 652234288 /nfs/dbraw/zinc/23/42/88/652234288.db2.gz YRRHLODPFRCVJQ-MRXNPFEDSA-N 2 2 383.334 2.185 20 0 GEADLP Cc1cc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)ncc1Br ZINC000623394945 652234294 /nfs/dbraw/zinc/23/42/94/652234294.db2.gz YRRHLODPFRCVJQ-MRXNPFEDSA-N 2 2 383.334 2.185 20 0 GEADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000658332762 652254487 /nfs/dbraw/zinc/25/44/87/652254487.db2.gz HVJSRDMTPFYDEH-LBPRGKRZSA-N 2 2 389.327 2.320 20 0 GEADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000658332762 652254502 /nfs/dbraw/zinc/25/45/02/652254502.db2.gz HVJSRDMTPFYDEH-LBPRGKRZSA-N 2 2 389.327 2.320 20 0 GEADLP Brc1cc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc2c1OCCO2 ZINC000579342609 652332496 /nfs/dbraw/zinc/33/24/96/652332496.db2.gz WVOCJFYGBKVZPP-HOTGVXAUSA-N 2 2 383.286 2.077 20 0 GEADLP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000659322641 652354096 /nfs/dbraw/zinc/35/40/96/652354096.db2.gz PRITWUQPMCOXLS-GFCCVEGCSA-N 2 2 393.310 2.296 20 0 GEADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C[C@H](C)O1 ZINC000582061469 652433739 /nfs/dbraw/zinc/43/37/39/652433739.db2.gz USPAEIXYBZGKSE-QWQRMKEZSA-N 2 2 398.345 2.191 20 0 GEADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C[C@H](C)O1 ZINC000582061469 652433743 /nfs/dbraw/zinc/43/37/43/652433743.db2.gz USPAEIXYBZGKSE-QWQRMKEZSA-N 2 2 398.345 2.191 20 0 GEADLP O[C@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662154521 652448952 /nfs/dbraw/zinc/44/89/52/652448952.db2.gz GCGYVYDLTIYETA-CABCVRRESA-N 2 2 389.323 2.264 20 0 GEADLP O[C@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662154521 652448959 /nfs/dbraw/zinc/44/89/59/652448959.db2.gz GCGYVYDLTIYETA-CABCVRRESA-N 2 2 389.323 2.264 20 0 GEADLP O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662161443 652450039 /nfs/dbraw/zinc/45/00/39/652450039.db2.gz UPZNLCITDFPIEJ-CVEARBPZSA-N 2 2 389.323 2.264 20 0 GEADLP O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662161443 652450041 /nfs/dbraw/zinc/45/00/41/652450041.db2.gz UPZNLCITDFPIEJ-CVEARBPZSA-N 2 2 389.323 2.264 20 0 GEADLP O[C@@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662162113 652450112 /nfs/dbraw/zinc/45/01/12/652450112.db2.gz ZWVCUEZZDDJZLY-JKSUJKDBSA-N 2 2 389.323 2.264 20 0 GEADLP O[C@@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662162113 652450114 /nfs/dbraw/zinc/45/01/14/652450114.db2.gz ZWVCUEZZDDJZLY-JKSUJKDBSA-N 2 2 389.323 2.264 20 0 GEADLP CC[NH+]1CCN(CCCNC(=O)[C@@H]([NH2+]C)c2cccc(Cl)c2Cl)CC1 ZINC000662383817 652458324 /nfs/dbraw/zinc/45/83/24/652458324.db2.gz FLTNGIDGQLDBPM-KRWDZBQOSA-N 2 2 387.355 2.398 20 0 GEADLP C[NH2+][C@@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(Cl)c1Cl ZINC000662491740 652464182 /nfs/dbraw/zinc/46/41/82/652464182.db2.gz MLAXQGRLNHLLRM-SUMWQHHRSA-N 2 2 386.323 2.435 20 0 GEADLP C[NH2+][C@@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(Cl)c1Cl ZINC000662491737 652464190 /nfs/dbraw/zinc/46/41/90/652464190.db2.gz MLAXQGRLNHLLRM-CXAGYDPISA-N 2 2 386.323 2.435 20 0 GEADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)CC2)s1 ZINC000662714139 652471111 /nfs/dbraw/zinc/47/11/11/652471111.db2.gz XRHROYRJJHLOOO-INIZCTEOSA-N 2 2 375.460 2.497 20 0 GEADLP [NH3+][C@@H]1CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC[C@H]1F ZINC000662750622 652473202 /nfs/dbraw/zinc/47/32/02/652473202.db2.gz VHKFPUXIADNEAN-BZUAXINKSA-N 2 2 384.293 2.484 20 0 GEADLP O=S(=O)(CC[NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(Br)c1 ZINC000583495438 652487256 /nfs/dbraw/zinc/48/72/56/652487256.db2.gz FMYIDZIRZIQNRZ-CYBMUJFWSA-N 2 2 384.299 2.024 20 0 GEADLP Cc1cccc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1Br ZINC000664728342 652536894 /nfs/dbraw/zinc/53/68/94/652536894.db2.gz AOFVWWKFAYAKJF-UHFFFAOYSA-N 2 2 385.350 2.440 20 0 GEADLP Cc1cccc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1Br ZINC000664728342 652536896 /nfs/dbraw/zinc/53/68/96/652536896.db2.gz AOFVWWKFAYAKJF-UHFFFAOYSA-N 2 2 385.350 2.440 20 0 GEADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)n1 ZINC000665291694 652550246 /nfs/dbraw/zinc/55/02/46/652550246.db2.gz IFVUIYRYCCMZAX-CYBMUJFWSA-N 2 2 379.258 2.407 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc2cncc(Br)c2n1 ZINC000633620067 652604124 /nfs/dbraw/zinc/60/41/24/652604124.db2.gz ZTTPZWAZBCVYNX-UHFFFAOYSA-N 2 2 394.317 2.006 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc2cncc(Br)c2n1 ZINC000633620067 652604129 /nfs/dbraw/zinc/60/41/29/652604129.db2.gz ZTTPZWAZBCVYNX-UHFFFAOYSA-N 2 2 394.317 2.006 20 0 GEADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc(Br)ncc1F ZINC000762744695 652716732 /nfs/dbraw/zinc/71/67/32/652716732.db2.gz FJBKZXUIWHIWRZ-VXGBXAGGSA-N 2 2 387.297 2.221 20 0 GEADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cc(Br)ncc1F ZINC000762744695 652716738 /nfs/dbraw/zinc/71/67/38/652716738.db2.gz FJBKZXUIWHIWRZ-VXGBXAGGSA-N 2 2 387.297 2.221 20 0 GEADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000638719807 652904270 /nfs/dbraw/zinc/90/42/70/652904270.db2.gz QDRKTMZFJDERNO-YOEHRIQHSA-N 2 2 379.551 2.396 20 0 GEADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000638719807 652904275 /nfs/dbraw/zinc/90/42/75/652904275.db2.gz QDRKTMZFJDERNO-YOEHRIQHSA-N 2 2 379.551 2.396 20 0 GEADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2cnn3cc(Br)cnc23)CC1 ZINC000638729444 652904703 /nfs/dbraw/zinc/90/47/03/652904703.db2.gz PXILPXQGCCIKRM-UHFFFAOYSA-N 2 2 396.333 2.471 20 0 GEADLP CN(C(=O)c1ncsc1Br)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000807592484 653199864 /nfs/dbraw/zinc/19/98/64/653199864.db2.gz CXVYQLMMFNTGJN-LBPRGKRZSA-N 2 2 387.347 2.146 20 0 GEADLP CN(C(=O)c1ncsc1Br)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000807592484 653199871 /nfs/dbraw/zinc/19/98/71/653199871.db2.gz CXVYQLMMFNTGJN-LBPRGKRZSA-N 2 2 387.347 2.146 20 0 GEADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc(Br)c(Br)s2)C1 ZINC000702566919 653319491 /nfs/dbraw/zinc/31/94/91/653319491.db2.gz PXWOZGOYANWMPA-LLVKDONJSA-N 2 2 384.137 2.429 20 0 GEADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cc(Br)c(Br)s2)C1 ZINC000702566919 653319495 /nfs/dbraw/zinc/31/94/95/653319495.db2.gz PXWOZGOYANWMPA-LLVKDONJSA-N 2 2 384.137 2.429 20 0 GEADLP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Br)nc1 ZINC000810216031 653331326 /nfs/dbraw/zinc/33/13/26/653331326.db2.gz CJKJQANOTQQCNP-ZDUSSCGKSA-N 2 2 383.334 2.437 20 0 GEADLP COC(=O)c1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1Br ZINC000877022041 653460987 /nfs/dbraw/zinc/46/09/87/653460987.db2.gz NHGJUGLMAHRRGN-KBPBESRZSA-N 2 2 383.286 2.189 20 0 GEADLP COC(=O)c1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1Br ZINC000877022041 653460991 /nfs/dbraw/zinc/46/09/91/653460991.db2.gz NHGJUGLMAHRRGN-KBPBESRZSA-N 2 2 383.286 2.189 20 0 GEADLP CN(C(=O)NC[C@]1(C)CC1(Cl)Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000838662593 653627324 /nfs/dbraw/zinc/62/73/24/653627324.db2.gz FIEKESVONRDXFZ-ZBFHGGJFSA-N 2 2 377.360 2.380 20 0 GEADLP CN(C(=O)NC[C@]1(C)CC1(Cl)Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000838662593 653627327 /nfs/dbraw/zinc/62/73/27/653627327.db2.gz FIEKESVONRDXFZ-ZBFHGGJFSA-N 2 2 377.360 2.380 20 0 GEADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)CC1 ZINC000878675279 653644285 /nfs/dbraw/zinc/64/42/85/653644285.db2.gz NJFLYMPLQDUDOP-OAHLLOKOSA-N 2 2 380.330 2.449 20 0 GEADLP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](c3cccc(Br)c3)C2)CC1 ZINC000878675279 653644287 /nfs/dbraw/zinc/64/42/87/653644287.db2.gz NJFLYMPLQDUDOP-OAHLLOKOSA-N 2 2 380.330 2.449 20 0 GEADLP Cn1cc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(Br)n1 ZINC000862324393 653683177 /nfs/dbraw/zinc/68/31/77/653683177.db2.gz LFHHBTJRVMJNAJ-UHFFFAOYSA-N 2 2 384.366 2.032 20 0 GEADLP Cn1nc(Br)cc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000785412541 653708916 /nfs/dbraw/zinc/70/89/16/653708916.db2.gz JELJPKAWKMRPIK-UHFFFAOYSA-N 2 2 379.302 2.305 20 0 GEADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccnc(Br)c3)CC2)CC1 ZINC000817656144 653716758 /nfs/dbraw/zinc/71/67/58/653716758.db2.gz BNXQQQFSIXFDNB-UHFFFAOYSA-N 2 2 395.345 2.476 20 0 GEADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccnc(Br)c3)CC2)CC1 ZINC000817656144 653716759 /nfs/dbraw/zinc/71/67/59/653716759.db2.gz BNXQQQFSIXFDNB-UHFFFAOYSA-N 2 2 395.345 2.476 20 0 GEADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cccnc3Br)CC2)CC1 ZINC000817656759 653716812 /nfs/dbraw/zinc/71/68/12/653716812.db2.gz OMCVWFNELFGJGV-UHFFFAOYSA-N 2 2 395.345 2.476 20 0 GEADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cccnc3Br)CC2)CC1 ZINC000817656759 653716813 /nfs/dbraw/zinc/71/68/13/653716813.db2.gz OMCVWFNELFGJGV-UHFFFAOYSA-N 2 2 395.345 2.476 20 0 GEADLP O[C@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000819076687 653742581 /nfs/dbraw/zinc/74/25/81/653742581.db2.gz CWOQLSSGLHXYFX-MAUKXSAKSA-N 2 2 388.339 2.023 20 0 GEADLP C[NH+]1CCC(C[NH+]2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000788475659 653757319 /nfs/dbraw/zinc/75/73/19/653757319.db2.gz RDCVSZMNFYWELA-UHFFFAOYSA-N 2 2 377.963 2.050 20 0 GEADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000843089309 653778962 /nfs/dbraw/zinc/77/89/62/653778962.db2.gz QFFPVCJSIGTNQH-CJNGLKHVSA-N 2 2 375.282 2.058 20 0 GEADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000843089309 653778965 /nfs/dbraw/zinc/77/89/65/653778965.db2.gz QFFPVCJSIGTNQH-CJNGLKHVSA-N 2 2 375.282 2.058 20 0 GEADLP C[N@@H+]1CC[C@@H](CC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)C1 ZINC000822339583 653823669 /nfs/dbraw/zinc/82/36/69/653823669.db2.gz GXZCDZKZMFSEAH-AWEZNQCLSA-N 2 2 395.345 2.481 20 0 GEADLP C[N@H+]1CC[C@@H](CC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)C1 ZINC000822339583 653823674 /nfs/dbraw/zinc/82/36/74/653823674.db2.gz GXZCDZKZMFSEAH-AWEZNQCLSA-N 2 2 395.345 2.481 20 0 GEADLP CN(C(=O)c1nc(Br)ccc1F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000792164160 653836650 /nfs/dbraw/zinc/83/66/50/653836650.db2.gz HOEZLDMWTCZSOZ-CYBMUJFWSA-N 2 2 399.308 2.224 20 0 GEADLP CN(C(=O)c1nc(Br)ccc1F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000792164160 653836653 /nfs/dbraw/zinc/83/66/53/653836653.db2.gz HOEZLDMWTCZSOZ-CYBMUJFWSA-N 2 2 399.308 2.224 20 0 GEADLP Brc1cscc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883371169 653837698 /nfs/dbraw/zinc/83/76/98/653837698.db2.gz AHQXMGBGUNRLBF-HNNXBMFYSA-N 2 2 388.375 2.397 20 0 GEADLP C[C@@H]1CCSCC[NH+]1CCS(=O)(=O)CC[N@H+]1CCSCC[C@H]1C ZINC000794570824 653911983 /nfs/dbraw/zinc/91/19/83/653911983.db2.gz PMEPTSDHDHPAAR-HZPDHXFCSA-N 2 2 380.645 2.056 20 0 GEADLP C[C@@H]1CCSCC[NH+]1CCS(=O)(=O)CC[N@@H+]1CCSCC[C@H]1C ZINC000794570824 653911986 /nfs/dbraw/zinc/91/19/86/653911986.db2.gz PMEPTSDHDHPAAR-HZPDHXFCSA-N 2 2 380.645 2.056 20 0 GEADLP O=C1Nc2ncc(Br)cc2C[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000897979160 653948345 /nfs/dbraw/zinc/94/83/45/653948345.db2.gz XDMIBLYFJOTRCM-OAHLLOKOSA-N 2 2 379.302 2.171 20 0 GEADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NCc1nc2ccccn2c1Br ZINC000826903358 653965642 /nfs/dbraw/zinc/96/56/42/653965642.db2.gz PMKAQXNTKDJCOA-AWEZNQCLSA-N 2 2 382.350 2.458 20 0 GEADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NCc1nc2ccccn2c1Br ZINC000826903358 653965645 /nfs/dbraw/zinc/96/56/45/653965645.db2.gz PMKAQXNTKDJCOA-AWEZNQCLSA-N 2 2 382.350 2.458 20 0 GEADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2nc(-c3cccc(Cl)c3)ns2)CC1 ZINC000926091573 654558614 /nfs/dbraw/zinc/55/86/14/654558614.db2.gz METLBTJOYOPJIO-UHFFFAOYSA-N 2 2 380.905 2.403 20 0 GEADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2cc(F)cc(F)c2Br)CC1 ZINC000926100621 654559038 /nfs/dbraw/zinc/55/90/38/654559038.db2.gz GCLCGPSNGXFMFG-UHFFFAOYSA-N 2 2 377.233 2.272 20 0 GEADLP C[NH+]1CCN(c2ccc(NC(=O)C34CC[NH+](CC3)C4)cc2Br)CC1 ZINC000907654851 654564379 /nfs/dbraw/zinc/56/43/79/654564379.db2.gz HEBHOTQZXIGPPJ-UHFFFAOYSA-N 2 2 393.329 2.235 20 0 GEADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2ncc(Br)cc21 ZINC000926751211 654581713 /nfs/dbraw/zinc/58/17/13/654581713.db2.gz ZBFYIOYZXFIPJA-ZBFHGGJFSA-N 2 2 381.318 2.151 20 0 GEADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCc2ncc(Br)cc21 ZINC000926751211 654581717 /nfs/dbraw/zinc/58/17/17/654581717.db2.gz ZBFYIOYZXFIPJA-ZBFHGGJFSA-N 2 2 381.318 2.151 20 0 GEADLP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C1)[NH+]1CC[C@H](C(F)(F)F)C1 ZINC000930120912 654699747 /nfs/dbraw/zinc/69/97/47/654699747.db2.gz KZSOCOUVNFTOEJ-WOPDTQHZSA-N 2 2 375.357 2.260 20 0 GEADLP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C1)[NH+]1CC[C@H](C(F)(F)F)C1 ZINC000930120912 654699750 /nfs/dbraw/zinc/69/97/50/654699750.db2.gz KZSOCOUVNFTOEJ-WOPDTQHZSA-N 2 2 375.357 2.260 20 0 GEADLP C[C@H](CNC(=O)C[NH+]1CC[C@H](C(F)(F)F)C1)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000930120912 654699754 /nfs/dbraw/zinc/69/97/54/654699754.db2.gz KZSOCOUVNFTOEJ-WOPDTQHZSA-N 2 2 375.357 2.260 20 0 GEADLP C[C@H](CNC(=O)C[NH+]1CC[C@H](C(F)(F)F)C1)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000930120912 654699756 /nfs/dbraw/zinc/69/97/56/654699756.db2.gz KZSOCOUVNFTOEJ-WOPDTQHZSA-N 2 2 375.357 2.260 20 0 GEADLP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1)[NH+]1CC[C@H](C(F)(F)F)C1 ZINC000930120911 654699792 /nfs/dbraw/zinc/69/97/92/654699792.db2.gz KZSOCOUVNFTOEJ-UTUOFQBUSA-N 2 2 375.357 2.260 20 0 GEADLP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C1)[NH+]1CC[C@H](C(F)(F)F)C1 ZINC000930120911 654699794 /nfs/dbraw/zinc/69/97/94/654699794.db2.gz KZSOCOUVNFTOEJ-UTUOFQBUSA-N 2 2 375.357 2.260 20 0 GEADLP C[C@H](CNC(=O)C[NH+]1CC[C@@H](C(F)(F)F)C1)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000930120911 654699795 /nfs/dbraw/zinc/69/97/95/654699795.db2.gz KZSOCOUVNFTOEJ-UTUOFQBUSA-N 2 2 375.357 2.260 20 0 GEADLP C[C@H](CNC(=O)C[NH+]1CC[C@@H](C(F)(F)F)C1)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000930120911 654699797 /nfs/dbraw/zinc/69/97/97/654699797.db2.gz KZSOCOUVNFTOEJ-UTUOFQBUSA-N 2 2 375.357 2.260 20 0 GEADLP CCOC(=O)C1CC[NH+](C2CCN(c3nc(N4CCCC4)cc[nH+]3)CC2)CC1 ZINC001164614045 719020691 /nfs/dbraw/zinc/02/06/91/719020691.db2.gz BNONIJHDKZJJHJ-UHFFFAOYSA-N 2 2 387.528 2.321 20 0 GEADLP C[NH+]1CCN(c2cccc(N3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)[nH+]2)CC1 ZINC001164626472 719046983 /nfs/dbraw/zinc/04/69/83/719046983.db2.gz RMEPQQPGCRWEAY-NFBKMPQASA-N 3 2 377.536 2.417 20 0 GEADLP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3c2cc[nH+]c(N3CCOCC3)n2)cc1 ZINC001164626680 719086708 /nfs/dbraw/zinc/08/67/08/719086708.db2.gz INPKNRMQBSQXGH-PMACEKPBSA-N 2 2 379.508 2.414 20 0 GEADLP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3c2cc[nH+]c(N3CCOCC3)n2)cc1 ZINC001164626680 719086714 /nfs/dbraw/zinc/08/67/14/719086714.db2.gz INPKNRMQBSQXGH-PMACEKPBSA-N 2 2 379.508 2.414 20 0 GEADLP Cc1c[nH+]c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc1N1CCCC1 ZINC001164734107 720548654 /nfs/dbraw/zinc/54/86/54/720548654.db2.gz USXFKFBMSHQPCU-UHFFFAOYSA-N 2 2 381.528 2.240 20 0 GEADLP CCOC(=O)c1c[nH]c2cc(N3CC[NH+](CCc4ccccn4)CC3)[nH+]cc21 ZINC001165056276 722016588 /nfs/dbraw/zinc/01/65/88/722016588.db2.gz RQNQWSVGKHHPPA-UHFFFAOYSA-N 2 2 379.464 2.499 20 0 GEADLP Cc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c2c([nH+]1)CCC2 ZINC001164982605 722134875 /nfs/dbraw/zinc/13/48/75/722134875.db2.gz RRUSWKLRVNEXDM-RXVVDRJESA-N 2 2 379.508 2.396 20 0 GEADLP Cc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c2c([nH+]1)CCC2 ZINC001164982605 722134880 /nfs/dbraw/zinc/13/48/80/722134880.db2.gz RRUSWKLRVNEXDM-RXVVDRJESA-N 2 2 379.508 2.396 20 0 GEADLP O=C(C[C@@H]1C[NH2+]CCO1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000168557531 531880130 /nfs/dbraw/zinc/88/01/30/531880130.db2.gz CTHRUKWNKMKTLV-OAHLLOKOSA-N 2 2 386.323 2.453 20 0 GEADLP Brc1ccc2[nH+]cc(CN3CCN(CC[NH+]4CCCC4)CC3)n2c1 ZINC000119510136 531971791 /nfs/dbraw/zinc/97/17/91/531971791.db2.gz ZAMVKEZWSYEKJJ-UHFFFAOYSA-N 2 2 392.345 2.310 20 0 GEADLP OC1(C(F)(F)F)CC[NH+](CCC[NH+]2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000121517424 532032396 /nfs/dbraw/zinc/03/23/96/532032396.db2.gz YDOJNIKOIRECIH-UHFFFAOYSA-N 2 2 378.357 2.155 20 0 GEADLP Cc1cc(NC(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)ccc1Br ZINC000174713191 532074120 /nfs/dbraw/zinc/07/41/20/532074120.db2.gz ZUAFNUXSJPQCEJ-UHFFFAOYSA-N 2 2 397.361 2.265 20 0 GEADLP Cc1cc(NC(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)ccc1Br ZINC000174713191 532074126 /nfs/dbraw/zinc/07/41/26/532074126.db2.gz ZUAFNUXSJPQCEJ-UHFFFAOYSA-N 2 2 397.361 2.265 20 0 GEADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nnnn1-c1ccccc1Br ZINC000136305255 532284236 /nfs/dbraw/zinc/28/42/36/532284236.db2.gz KHOJWVCVJCCBMY-UHFFFAOYSA-N 2 2 390.289 2.452 20 0 GEADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nnnn1-c1ccccc1Br ZINC000136305255 532284238 /nfs/dbraw/zinc/28/42/38/532284238.db2.gz KHOJWVCVJCCBMY-UHFFFAOYSA-N 2 2 390.289 2.452 20 0 GEADLP Cc1nc(-c2cc3c(s2)CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C3)cs1 ZINC000180881819 532284380 /nfs/dbraw/zinc/28/43/80/532284380.db2.gz QLLFPGDLSGXCTB-UHFFFAOYSA-N 2 2 376.551 2.312 20 0 GEADLP Cc1nc(-c2cc3c(s2)CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C3)cs1 ZINC000180881819 532284385 /nfs/dbraw/zinc/28/43/85/532284385.db2.gz QLLFPGDLSGXCTB-UHFFFAOYSA-N 2 2 376.551 2.312 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)Nc3ccsc3Cl)CC2)CC1 ZINC000189238000 532351472 /nfs/dbraw/zinc/35/14/72/532351472.db2.gz NPDNTAVDQDWYQY-UHFFFAOYSA-N 2 2 384.933 2.015 20 0 GEADLP COc1ccc(C[N@H+](C)CCCN(C)CC[NH+](C)C)c(Br)c1O ZINC000515920398 532374516 /nfs/dbraw/zinc/37/45/16/532374516.db2.gz XXYFLGCLVUBZOD-UHFFFAOYSA-N 2 2 388.350 2.479 20 0 GEADLP COc1ccc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)c(Br)c1O ZINC000515920398 532374525 /nfs/dbraw/zinc/37/45/25/532374525.db2.gz XXYFLGCLVUBZOD-UHFFFAOYSA-N 2 2 388.350 2.479 20 0 GEADLP COCC[NH+]1CCC([NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000191681326 532362264 /nfs/dbraw/zinc/36/22/64/532362264.db2.gz ZNDJCZWOYCUXTJ-KRWDZBQOSA-N 2 2 396.329 2.255 20 0 GEADLP COc1c(Br)cccc1C[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000372282729 532381799 /nfs/dbraw/zinc/38/17/99/532381799.db2.gz PBDIOEHLUKZNJJ-UHFFFAOYSA-N 2 2 396.329 2.196 20 0 GEADLP COc1c(Br)cccc1C[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000372282729 532381802 /nfs/dbraw/zinc/38/18/02/532381802.db2.gz PBDIOEHLUKZNJJ-UHFFFAOYSA-N 2 2 396.329 2.196 20 0 GEADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCS(=O)(=O)c3cccc(Br)c3)C[C@H]21 ZINC000647907749 532384787 /nfs/dbraw/zinc/38/47/87/532384787.db2.gz OSKUGJOLZLFCBC-APHBMKBZSA-N 2 2 387.343 2.282 20 0 GEADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCS(=O)(=O)c3cccc(Br)c3)C[C@H]21 ZINC000647907749 532384795 /nfs/dbraw/zinc/38/47/95/532384795.db2.gz OSKUGJOLZLFCBC-APHBMKBZSA-N 2 2 387.343 2.282 20 0 GEADLP Cc1ccc(Br)nc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372753900 532406802 /nfs/dbraw/zinc/40/68/02/532406802.db2.gz WWDGHMVJFKGUPR-HNNXBMFYSA-N 2 2 395.345 2.393 20 0 GEADLP Cc1ccc(Br)nc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372753900 532406804 /nfs/dbraw/zinc/40/68/04/532406804.db2.gz WWDGHMVJFKGUPR-HNNXBMFYSA-N 2 2 395.345 2.393 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CCC[N@@H+](C)C3)[nH+]c12 ZINC000680387539 532413593 /nfs/dbraw/zinc/41/35/93/532413593.db2.gz WQPICMHGGKGJME-CQSZACIVSA-N 2 2 394.317 2.341 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CCC[N@H+](C)C3)[nH+]c12 ZINC000680387539 532413597 /nfs/dbraw/zinc/41/35/97/532413597.db2.gz WQPICMHGGKGJME-CQSZACIVSA-N 2 2 394.317 2.341 20 0 GEADLP O[C@@H](C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)CC1(O)CCC1 ZINC000625422028 532428243 /nfs/dbraw/zinc/42/82/43/532428243.db2.gz ZUJRRBIVDLCGPK-CQSZACIVSA-N 2 2 398.301 2.407 20 0 GEADLP O[C@@H](C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)CC1(O)CCC1 ZINC000625422028 532428247 /nfs/dbraw/zinc/42/82/47/532428247.db2.gz ZUJRRBIVDLCGPK-CQSZACIVSA-N 2 2 398.301 2.407 20 0 GEADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ncc(Br)cc1F ZINC000427696025 532430767 /nfs/dbraw/zinc/43/07/67/532430767.db2.gz OKFXMRMZGNQDBR-NWDGAFQWSA-N 2 2 387.297 2.221 20 0 GEADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ncc(Br)cc1F ZINC000427696025 532430773 /nfs/dbraw/zinc/43/07/73/532430773.db2.gz OKFXMRMZGNQDBR-NWDGAFQWSA-N 2 2 387.297 2.221 20 0 GEADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428039643 532441313 /nfs/dbraw/zinc/44/13/13/532441313.db2.gz SNDWKPBOHKJWOG-UKPHBRMFSA-N 2 2 380.330 2.480 20 0 GEADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428039643 532441322 /nfs/dbraw/zinc/44/13/22/532441322.db2.gz SNDWKPBOHKJWOG-UKPHBRMFSA-N 2 2 380.330 2.480 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ncnc4cc(Br)sc43)C2)CC1 ZINC000651314346 532465317 /nfs/dbraw/zinc/46/53/17/532465317.db2.gz XOPPTVZPILWKKR-LLVKDONJSA-N 2 2 396.358 3.034 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ncnc4cc(Br)sc43)C2)CC1 ZINC000651314346 532465321 /nfs/dbraw/zinc/46/53/21/532465321.db2.gz XOPPTVZPILWKKR-LLVKDONJSA-N 2 2 396.358 3.034 20 0 GEADLP C[NH+]1CCN(c2cc[nH+]cc2NS(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000562488697 532468720 /nfs/dbraw/zinc/46/87/20/532468720.db2.gz OUEFBISJKISYHI-UHFFFAOYSA-N 2 2 380.901 2.429 20 0 GEADLP Cc1[nH+]cc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)n1C ZINC000519832877 532480521 /nfs/dbraw/zinc/48/05/21/532480521.db2.gz KVHJMLYISYVOIX-UHFFFAOYSA-N 2 2 377.297 2.103 20 0 GEADLP COCC[NH+]1CCC([NH2+][C@@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000430134870 532490989 /nfs/dbraw/zinc/49/09/89/532490989.db2.gz DPQHNUTVAZZUEY-INIZCTEOSA-N 2 2 375.282 2.322 20 0 GEADLP Cc1nn(C)c(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)c1Br ZINC000373840764 532474237 /nfs/dbraw/zinc/47/42/37/532474237.db2.gz GAIFVPBWBCVWLX-NWANDNLSSA-N 2 2 385.350 2.470 20 0 GEADLP Cc1nn(C)c(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)c1Br ZINC000373840764 532474240 /nfs/dbraw/zinc/47/42/40/532474240.db2.gz GAIFVPBWBCVWLX-NWANDNLSSA-N 2 2 385.350 2.470 20 0 GEADLP C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430972343 532503177 /nfs/dbraw/zinc/50/31/77/532503177.db2.gz RUPLAZRAGHBVRA-UHIISALHSA-N 2 2 387.265 2.287 20 0 GEADLP C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430972343 532503181 /nfs/dbraw/zinc/50/31/81/532503181.db2.gz RUPLAZRAGHBVRA-UHIISALHSA-N 2 2 387.265 2.287 20 0 GEADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]Cc2cc(Br)ccc2OC(F)F)n1 ZINC000629652176 532498778 /nfs/dbraw/zinc/49/87/78/532498778.db2.gz BZXJNPQILUYQQO-UHFFFAOYSA-N 2 2 389.200 2.295 20 0 GEADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(Br)cc1OC ZINC000563353333 532501034 /nfs/dbraw/zinc/50/10/34/532501034.db2.gz NZVRXWLBEFUUIP-JSGCOSHPSA-N 2 2 375.307 2.047 20 0 GEADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(Br)cc1OC ZINC000563353333 532501036 /nfs/dbraw/zinc/50/10/36/532501036.db2.gz NZVRXWLBEFUUIP-JSGCOSHPSA-N 2 2 375.307 2.047 20 0 GEADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)nc12 ZINC000564825587 532532128 /nfs/dbraw/zinc/53/21/28/532532128.db2.gz USOSFIZBYAQQMO-IAGOWNOFSA-N 2 2 393.329 2.304 20 0 GEADLP COc1ncc(Br)cc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000595339762 532557391 /nfs/dbraw/zinc/55/73/91/532557391.db2.gz QQVCGFOCVSXNNH-QGZVFWFLSA-N 2 2 397.361 2.453 20 0 GEADLP COc1ncc(Br)cc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000595339762 532557397 /nfs/dbraw/zinc/55/73/97/532557397.db2.gz QQVCGFOCVSXNNH-QGZVFWFLSA-N 2 2 397.361 2.453 20 0 GEADLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COCC(F)(F)F)C1 ZINC000433209820 532559815 /nfs/dbraw/zinc/55/98/15/532559815.db2.gz SFPRPVGGNAQPSA-ZIAGYGMSSA-N 2 2 381.464 2.145 20 0 GEADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COCC(F)(F)F)C1 ZINC000433209820 532559823 /nfs/dbraw/zinc/55/98/23/532559823.db2.gz SFPRPVGGNAQPSA-ZIAGYGMSSA-N 2 2 381.464 2.145 20 0 GEADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COCC(F)(F)F)C1 ZINC000433209820 532559825 /nfs/dbraw/zinc/55/98/25/532559825.db2.gz SFPRPVGGNAQPSA-ZIAGYGMSSA-N 2 2 381.464 2.145 20 0 GEADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COCC(F)(F)F)C1 ZINC000433209820 532559830 /nfs/dbraw/zinc/55/98/30/532559830.db2.gz SFPRPVGGNAQPSA-ZIAGYGMSSA-N 2 2 381.464 2.145 20 0 GEADLP Cc1cc(Br)cn2c(CN3CCC[N@@H+]([C@H](C)CO)CC3)c[nH+]c12 ZINC000375484731 532560941 /nfs/dbraw/zinc/56/09/41/532560941.db2.gz OSKCXTGHXZUJTK-CQSZACIVSA-N 2 2 381.318 2.294 20 0 GEADLP Cc1cc(Br)cn2c(CN3CCC[N@H+]([C@H](C)CO)CC3)c[nH+]c12 ZINC000375484731 532560947 /nfs/dbraw/zinc/56/09/47/532560947.db2.gz OSKCXTGHXZUJTK-CQSZACIVSA-N 2 2 381.318 2.294 20 0 GEADLP Cc1c[nH+]cn1CC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000529020317 532589931 /nfs/dbraw/zinc/58/99/31/532589931.db2.gz BSCMPOWOEDHVRJ-UHFFFAOYSA-N 2 2 376.258 2.269 20 0 GEADLP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2c(Br)cnn2C)CCC[N@@H+]1C ZINC000284421192 532590025 /nfs/dbraw/zinc/59/00/25/532590025.db2.gz CWHITWJKTWMYKF-BLLLJJGKSA-N 2 2 381.322 2.089 20 0 GEADLP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2c(Br)cnn2C)CCC[N@H+]1C ZINC000284421192 532590032 /nfs/dbraw/zinc/59/00/32/532590032.db2.gz CWHITWJKTWMYKF-BLLLJJGKSA-N 2 2 381.322 2.089 20 0 GEADLP COc1nc(N2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)ncc1Br ZINC000472560291 532577258 /nfs/dbraw/zinc/57/72/58/532577258.db2.gz BKGLELCXYLMCGP-AWEZNQCLSA-N 2 2 398.349 2.244 20 0 GEADLP COc1nc(N2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)ncc1Br ZINC000472560291 532577263 /nfs/dbraw/zinc/57/72/63/532577263.db2.gz BKGLELCXYLMCGP-AWEZNQCLSA-N 2 2 398.349 2.244 20 0 GEADLP COc1ccc(Br)cc1C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000261959446 532579640 /nfs/dbraw/zinc/57/96/40/532579640.db2.gz HCDRVRNIPFSVQH-HNNXBMFYSA-N 2 2 384.318 2.277 20 0 GEADLP COc1ccc(Br)cc1C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000261959446 532579642 /nfs/dbraw/zinc/57/96/42/532579642.db2.gz HCDRVRNIPFSVQH-HNNXBMFYSA-N 2 2 384.318 2.277 20 0 GEADLP COc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc(I)c1OC ZINC000435373379 532615169 /nfs/dbraw/zinc/61/51/69/532615169.db2.gz MXSCXXDXZAHPDS-JQWIXIFHSA-N 2 2 390.265 2.478 20 0 GEADLP COc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc(I)c1OC ZINC000435373379 532615174 /nfs/dbraw/zinc/61/51/74/532615174.db2.gz MXSCXXDXZAHPDS-JQWIXIFHSA-N 2 2 390.265 2.478 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@H](C)C[C@H](C)[NH3+])[nH+]c12 ZINC000566193723 532600132 /nfs/dbraw/zinc/60/01/32/532600132.db2.gz YEHRIRYDAONPKC-NWDGAFQWSA-N 2 2 382.306 2.373 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@H](C)C[C@@H](C)[NH3+])[nH+]c12 ZINC000566193726 532601032 /nfs/dbraw/zinc/60/10/32/532601032.db2.gz YEHRIRYDAONPKC-VXGBXAGGSA-N 2 2 382.306 2.373 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)[nH+]c12 ZINC000655923564 532604334 /nfs/dbraw/zinc/60/43/34/532604334.db2.gz AGAFUZQXPROPBA-JTQLQIEISA-N 2 2 394.195 2.094 20 0 GEADLP NS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000638177560 532684767 /nfs/dbraw/zinc/68/47/67/532684767.db2.gz BYVVXUVOLYAPFD-PBHICJAKSA-N 2 2 383.945 2.436 20 0 GEADLP NS(=O)(=O)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000638177560 532684770 /nfs/dbraw/zinc/68/47/70/532684770.db2.gz BYVVXUVOLYAPFD-PBHICJAKSA-N 2 2 383.945 2.436 20 0 GEADLP NS(=O)(=O)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000638177560 532684777 /nfs/dbraw/zinc/68/47/77/532684777.db2.gz BYVVXUVOLYAPFD-PBHICJAKSA-N 2 2 383.945 2.436 20 0 GEADLP NS(=O)(=O)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000638177560 532684783 /nfs/dbraw/zinc/68/47/83/532684783.db2.gz BYVVXUVOLYAPFD-PBHICJAKSA-N 2 2 383.945 2.436 20 0 GEADLP C[N@@H+]1CC[C@]2(CCN(C(=O)NCc3cn4cc(Br)ccc4[nH+]3)C2)C1 ZINC000488018434 532698712 /nfs/dbraw/zinc/69/87/12/532698712.db2.gz RXXVEQOUJGGKJM-KRWDZBQOSA-N 2 2 392.301 2.334 20 0 GEADLP C[N@H+]1CC[C@]2(CCN(C(=O)NCc3cn4cc(Br)ccc4[nH+]3)C2)C1 ZINC000488018434 532698715 /nfs/dbraw/zinc/69/87/15/532698715.db2.gz RXXVEQOUJGGKJM-KRWDZBQOSA-N 2 2 392.301 2.334 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3CC34CC[NH2+]CC4)[nH+]c12 ZINC000612979526 532724618 /nfs/dbraw/zinc/72/46/18/532724618.db2.gz FSJPTJOEGAWUSQ-AWEZNQCLSA-N 2 2 392.301 2.347 20 0 GEADLP CCNC(=O)C[NH+]1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000301197918 532745089 /nfs/dbraw/zinc/74/50/89/532745089.db2.gz VBETZNSURXDALX-UHFFFAOYSA-N 2 2 377.286 2.255 20 0 GEADLP C[C@](O)(CNc1cc[nH+]c2ccc(Br)cc12)C[NH+]1CCOCC1 ZINC000301782672 532760715 /nfs/dbraw/zinc/76/07/15/532760715.db2.gz TZYFHUXDMLJMQM-KRWDZBQOSA-N 2 2 380.286 2.492 20 0 GEADLP Cc1ccc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1Br ZINC000445809125 532753741 /nfs/dbraw/zinc/75/37/41/532753741.db2.gz DSFCICQPORVZPU-UHFFFAOYSA-N 2 2 383.330 2.417 20 0 GEADLP NC(=O)c1c[nH+]ccc1N1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000302041239 532765517 /nfs/dbraw/zinc/76/55/17/532765517.db2.gz RMSVWWPHFZCOCB-UHFFFAOYSA-N 2 2 381.299 2.327 20 0 GEADLP CN(CC[NH2+]C1CCN(c2cccc[nH+]2)CC1)S(=O)(=O)c1cccs1 ZINC000271562907 532809083 /nfs/dbraw/zinc/80/90/83/532809083.db2.gz XDPYAODRKVYZNB-UHFFFAOYSA-N 2 2 380.539 2.022 20 0 GEADLP CS(=O)(=O)N1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000329177770 532803756 /nfs/dbraw/zinc/80/37/56/532803756.db2.gz NFQZZKMSFOJPJI-KRWDZBQOSA-N 2 2 385.961 2.318 20 0 GEADLP Cc1nc(N2CC[NH+](C[C@@H](O)c3ccc(Br)cc3)CC2)cc[nH+]1 ZINC000273574211 532826537 /nfs/dbraw/zinc/82/65/37/532826537.db2.gz CTLFJUILIDIQLM-MRXNPFEDSA-N 2 2 377.286 2.403 20 0 GEADLP COc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc(I)c1OC ZINC000414928667 532835918 /nfs/dbraw/zinc/83/59/18/532835918.db2.gz NDPFPIQFZAOBLB-ZWNOBZJWSA-N 2 2 390.265 2.396 20 0 GEADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415091032 532838204 /nfs/dbraw/zinc/83/82/04/532838204.db2.gz BMQCOGJSOCIAER-INIZCTEOSA-N 2 2 379.302 2.330 20 0 GEADLP O=C1N[C@@H]2C[N@H+](Cc3cc(Br)cs3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415141390 532838771 /nfs/dbraw/zinc/83/87/71/532838771.db2.gz PDBHPSSMAOTNCF-CABCVRRESA-N 2 2 399.358 2.231 20 0 GEADLP O=C1N[C@@H]2C[N@@H+](Cc3cc(Br)cs3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415141390 532838774 /nfs/dbraw/zinc/83/87/74/532838774.db2.gz PDBHPSSMAOTNCF-CABCVRRESA-N 2 2 399.358 2.231 20 0 GEADLP O=C1N[C@@H]2C[N@H+](Cc3sccc3Br)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415136496 532838987 /nfs/dbraw/zinc/83/89/87/532838987.db2.gz HOTQHRXIKPMSBZ-ZIAGYGMSSA-N 2 2 399.358 2.231 20 0 GEADLP O=C1N[C@@H]2C[N@@H+](Cc3sccc3Br)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415136496 532838991 /nfs/dbraw/zinc/83/89/91/532838991.db2.gz HOTQHRXIKPMSBZ-ZIAGYGMSSA-N 2 2 399.358 2.231 20 0 GEADLP [NH3+]CC[C@H](NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)C(F)(F)F ZINC000416032404 532863593 /nfs/dbraw/zinc/86/35/93/532863593.db2.gz QAYLGHHDGCALTK-AWEZNQCLSA-N 2 2 378.826 2.277 20 0 GEADLP [NH3+]CC[C@H](NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)C(F)(F)F ZINC000416032404 532863595 /nfs/dbraw/zinc/86/35/95/532863595.db2.gz QAYLGHHDGCALTK-AWEZNQCLSA-N 2 2 378.826 2.277 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3CCC4(CC[NH2+]4)CC3)[nH+]c12 ZINC000333785827 532873380 /nfs/dbraw/zinc/87/33/80/532873380.db2.gz FIFPZLHKKMIGTJ-UHFFFAOYSA-N 2 2 392.301 2.443 20 0 GEADLP NC(=O)C[N@@H+]1CCCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000367159518 532923246 /nfs/dbraw/zinc/92/32/46/532923246.db2.gz MJXIAUTXTKKPFY-UHFFFAOYSA-N 2 2 381.249 2.134 20 0 GEADLP NC(=O)C[N@H+]1CCCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000367159518 532923248 /nfs/dbraw/zinc/92/32/48/532923248.db2.gz MJXIAUTXTKKPFY-UHFFFAOYSA-N 2 2 381.249 2.134 20 0 GEADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737503791 598356687 /nfs/dbraw/zinc/35/66/87/598356687.db2.gz YYSDNGBHQFNIDI-SUMWQHHRSA-N 2 2 380.456 2.036 20 0 GEADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737503791 598356690 /nfs/dbraw/zinc/35/66/90/598356690.db2.gz YYSDNGBHQFNIDI-SUMWQHHRSA-N 2 2 380.456 2.036 20 0 GEADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737501875 598356781 /nfs/dbraw/zinc/35/67/81/598356781.db2.gz VTFJLLCAALIYOO-KRWDZBQOSA-N 2 2 380.456 2.037 20 0 GEADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737501875 598356782 /nfs/dbraw/zinc/35/67/82/598356782.db2.gz VTFJLLCAALIYOO-KRWDZBQOSA-N 2 2 380.456 2.037 20 0 GEADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737503352 598356785 /nfs/dbraw/zinc/35/67/85/598356785.db2.gz URNMQAGQDOXLGU-ZFWWWQNUSA-N 2 2 380.456 2.036 20 0 GEADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737503352 598356786 /nfs/dbraw/zinc/35/67/86/598356786.db2.gz URNMQAGQDOXLGU-ZFWWWQNUSA-N 2 2 380.456 2.036 20 0 GEADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737500675 598368043 /nfs/dbraw/zinc/36/80/43/598368043.db2.gz QVWPHDZLHKHLMQ-HNNXBMFYSA-N 2 2 380.456 2.037 20 0 GEADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000737500675 598368044 /nfs/dbraw/zinc/36/80/44/598368044.db2.gz QVWPHDZLHKHLMQ-HNNXBMFYSA-N 2 2 380.456 2.037 20 0 GEADLP C[N@@H+]1CCCC[C@@H]1CN1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000821625648 599544847 /nfs/dbraw/zinc/54/48/47/599544847.db2.gz SPAKANKFHCHQBI-MRXNPFEDSA-N 2 2 392.511 2.021 20 0 GEADLP C[N@H+]1CCCC[C@@H]1CN1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000821625648 599544849 /nfs/dbraw/zinc/54/48/49/599544849.db2.gz SPAKANKFHCHQBI-MRXNPFEDSA-N 2 2 392.511 2.021 20 0 GEADLP c1cn([C@@H]2CCC[N@@H+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)C2)c[nH+]1 ZINC000738446378 599579851 /nfs/dbraw/zinc/57/98/51/599579851.db2.gz WUEGRUPHUFPRNN-QGZVFWFLSA-N 2 2 375.440 2.221 20 0 GEADLP c1cn([C@@H]2CCC[N@H+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)C2)c[nH+]1 ZINC000738446378 599579854 /nfs/dbraw/zinc/57/98/54/599579854.db2.gz WUEGRUPHUFPRNN-QGZVFWFLSA-N 2 2 375.440 2.221 20 0 GEADLP C[C@H]1C[C@@H](Nc2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)CC[N@@H+]1C ZINC000820666269 599589751 /nfs/dbraw/zinc/58/97/51/599589751.db2.gz HLTFPNSVJUMTSU-QWRGUYRKSA-N 2 2 389.410 2.333 20 0 GEADLP C[C@H]1C[C@@H](Nc2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)CC[N@H+]1C ZINC000820666269 599589753 /nfs/dbraw/zinc/58/97/53/599589753.db2.gz HLTFPNSVJUMTSU-QWRGUYRKSA-N 2 2 389.410 2.333 20 0 GEADLP Cc1ccncc1C[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000826315559 607522692 /nfs/dbraw/zinc/52/26/92/607522692.db2.gz MOOVFTFLEAEFLA-UHFFFAOYSA-N 2 2 386.463 2.441 20 0 GEADLP Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c(-c2nn[nH]n2)c1C ZINC000826341783 607638981 /nfs/dbraw/zinc/63/89/81/607638981.db2.gz PWDYBICJIYTRHH-DOMZBBRYSA-N 2 2 398.471 2.073 20 0 GEADLP Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c(-c2nn[nH]n2)c1C ZINC000826341783 607638983 /nfs/dbraw/zinc/63/89/83/607638983.db2.gz PWDYBICJIYTRHH-DOMZBBRYSA-N 2 2 398.471 2.073 20 0 GEADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[NH+](C[C@H]4CCOC4)CC3)c2c1 ZINC000822194948 606101346 /nfs/dbraw/zinc/10/13/46/606101346.db2.gz BDNDYJZOFCNBDX-MRXNPFEDSA-N 2 2 393.495 2.190 20 0 GEADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821622289 606186243 /nfs/dbraw/zinc/18/62/43/606186243.db2.gz YKKDZBBULRFRBK-UHFFFAOYSA-N 3 2 397.571 2.495 20 0 GEADLP C[C@@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C[C@@H]1[NH+](C)C ZINC000820767078 606803278 /nfs/dbraw/zinc/80/32/78/606803278.db2.gz FWFCRTUZDJHWGH-BMIGLBTASA-N 2 2 389.410 2.403 20 0 GEADLP C[C@H]1CC[N@H+](Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000820728130 607025082 /nfs/dbraw/zinc/02/50/82/607025082.db2.gz TXWGYSYCMODKLX-HNAYVOBHSA-N 2 2 389.467 2.467 20 0 GEADLP C[C@H]1CC[N@@H+](Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000820728130 607025083 /nfs/dbraw/zinc/02/50/83/607025083.db2.gz TXWGYSYCMODKLX-HNAYVOBHSA-N 2 2 389.467 2.467 20 0 GEADLP C[C@H]1CC[N@H+](Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000820728131 607025152 /nfs/dbraw/zinc/02/51/52/607025152.db2.gz TXWGYSYCMODKLX-KXBFYZLASA-N 2 2 389.467 2.467 20 0 GEADLP C[C@H]1CC[N@@H+](Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000820728131 607025153 /nfs/dbraw/zinc/02/51/53/607025153.db2.gz TXWGYSYCMODKLX-KXBFYZLASA-N 2 2 389.467 2.467 20 0 GEADLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3ccc(-c4nn[nH]n4)nn3)cc2)CC1 ZINC000825859607 608421864 /nfs/dbraw/zinc/42/18/64/608421864.db2.gz HTJGJXOZYNEXNF-UHFFFAOYSA-N 2 2 379.472 2.178 20 0 GEADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824548344 609152825 /nfs/dbraw/zinc/15/28/25/609152825.db2.gz WISKAESUEFDNIJ-MJXNMMHHSA-N 2 2 388.491 2.424 20 0 GEADLP Cc1nn(C)c(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c1Br ZINC000447900061 650010591 /nfs/dbraw/zinc/01/05/91/650010591.db2.gz ZKLJLBWPXBSUBD-UHFFFAOYSA-N 2 2 382.306 2.116 20 0 GEADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000479248545 650599899 /nfs/dbraw/zinc/59/98/99/650599899.db2.gz GTTSMBVYPJXTTJ-KRWDZBQOSA-N 2 2 398.389 2.360 20 0 GEADLP O=c1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)nc2ccc(Br)cn12 ZINC000532583835 650750404 /nfs/dbraw/zinc/75/04/04/650750404.db2.gz ZNZLYEDELRXEOI-CQSZACIVSA-N 2 2 391.313 2.375 20 0 GEADLP O=c1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)nc2ccc(Br)cn12 ZINC000532583835 650750407 /nfs/dbraw/zinc/75/04/07/650750407.db2.gz ZNZLYEDELRXEOI-CQSZACIVSA-N 2 2 391.313 2.375 20 0 GEADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(=O)n3cc(Br)ccc3n2)CC[N@@H+]1C ZINC000533311226 650759567 /nfs/dbraw/zinc/75/95/67/650759567.db2.gz MLMYRZAHKBLIBZ-DOMZBBRYSA-N 2 2 379.302 2.372 20 0 GEADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(=O)n3cc(Br)ccc3n2)CC[N@H+]1C ZINC000533311226 650759572 /nfs/dbraw/zinc/75/95/72/650759572.db2.gz MLMYRZAHKBLIBZ-DOMZBBRYSA-N 2 2 379.302 2.372 20 0 GEADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)CC[NH+]1C ZINC000533311226 650759577 /nfs/dbraw/zinc/75/95/77/650759577.db2.gz MLMYRZAHKBLIBZ-DOMZBBRYSA-N 2 2 379.302 2.372 20 0 GEADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)CC[NH+]1C ZINC000533311226 650759582 /nfs/dbraw/zinc/75/95/82/650759582.db2.gz MLMYRZAHKBLIBZ-DOMZBBRYSA-N 2 2 379.302 2.372 20 0 GEADLP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000540183581 650858534 /nfs/dbraw/zinc/85/85/34/650858534.db2.gz RPFINPKWBSRREG-HUUCEWRRSA-N 2 2 385.961 2.245 20 0 GEADLP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)Cn2cc(Br)cn2)nc[nH+]1 ZINC000180571260 644507835 /nfs/dbraw/zinc/50/78/35/644507835.db2.gz SAUMZCRGKQYFQY-JSGCOSHPSA-N 2 2 394.321 2.124 20 0 GEADLP CCOCCOc1ccc(Br)cc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000545148916 650962886 /nfs/dbraw/zinc/96/28/86/650962886.db2.gz WJUPTTDIOYJIKK-KRWDZBQOSA-N 2 2 387.318 2.021 20 0 GEADLP CCOCCOc1ccc(Br)cc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000545148916 650962888 /nfs/dbraw/zinc/96/28/88/650962888.db2.gz WJUPTTDIOYJIKK-KRWDZBQOSA-N 2 2 387.318 2.021 20 0 GEADLP C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261621407 645590914 /nfs/dbraw/zinc/59/09/14/645590914.db2.gz DKUACRXQOVZMMS-IAQYHMDHSA-N 2 2 387.265 2.289 20 0 GEADLP C[C@H](C(=O)Nc1cccc(I)c1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261621407 645590927 /nfs/dbraw/zinc/59/09/27/645590927.db2.gz DKUACRXQOVZMMS-IAQYHMDHSA-N 2 2 387.265 2.289 20 0 GEADLP O=S1(=O)CC[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2cc(Br)ccc21 ZINC000547655519 651041147 /nfs/dbraw/zinc/04/11/47/651041147.db2.gz PSXQCRPALGMHCD-GXTWGEPZSA-N 2 2 396.310 2.469 20 0 GEADLP Cn1ncc(Br)c1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000278858566 646558186 /nfs/dbraw/zinc/55/81/86/646558186.db2.gz XRRPXFIPKAJJCI-OAHLLOKOSA-N 2 2 379.302 2.039 20 0 GEADLP Cn1ncc(Br)c1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000278858566 646558190 /nfs/dbraw/zinc/55/81/90/646558190.db2.gz XRRPXFIPKAJJCI-OAHLLOKOSA-N 2 2 379.302 2.039 20 0 GEADLP C[C@H]1CN(C(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)CC[N@@H+]1CCO ZINC000364522521 647631799 /nfs/dbraw/zinc/63/17/99/647631799.db2.gz JZDCCFOTJAWQCW-AWEZNQCLSA-N 2 2 385.961 2.139 20 0 GEADLP C[C@H]1CN(C(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)CC[N@H+]1CCO ZINC000364522521 647631800 /nfs/dbraw/zinc/63/18/00/647631800.db2.gz JZDCCFOTJAWQCW-AWEZNQCLSA-N 2 2 385.961 2.139 20 0 GEADLP [NH3+]CC1(O)CC[NH+](Cc2cc(Cl)ccc2I)CC1 ZINC000405318321 647910349 /nfs/dbraw/zinc/91/03/49/647910349.db2.gz XQZVFFSLNOPQBM-UHFFFAOYSA-N 2 2 380.657 2.230 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@H]([NH3+])[C@@H]3C)[nH+]c12 ZINC000418027882 648272356 /nfs/dbraw/zinc/27/23/56/648272356.db2.gz XSELFYHNIZVHEK-FZMZJTMJSA-N 2 2 380.290 2.079 20 0 GEADLP C[C@@H](CC[NH3+])NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000418538680 648300848 /nfs/dbraw/zinc/30/08/48/648300848.db2.gz DXSVWBPFQIXZGE-LBPRGKRZSA-N 2 2 384.278 2.188 20 0 GEADLP Brc1ccccc1N1CC[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000422703484 648573747 /nfs/dbraw/zinc/57/37/47/648573747.db2.gz HVIKXEICFGAKSF-QGTPRVQTSA-N 2 2 380.330 2.384 20 0 GEADLP FC(F)(F)c1cnc(OCC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000422925898 648577383 /nfs/dbraw/zinc/57/73/83/648577383.db2.gz VUHSHBNYAYOKCU-UONOGXRCSA-N 2 2 379.810 2.489 20 0 GEADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000423154849 648585175 /nfs/dbraw/zinc/58/51/75/648585175.db2.gz KDKHQUGLTKWETJ-XJKCOSOUSA-N 2 2 389.309 2.096 20 0 GEADLP Cc1ccc(C[C@H](CO)C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1Br ZINC000423164493 648585757 /nfs/dbraw/zinc/58/57/57/648585757.db2.gz SRIMGOBEUCOHFC-KFKAGJAMSA-N 2 2 397.357 2.265 20 0 GEADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423497269 648593184 /nfs/dbraw/zinc/59/31/84/648593184.db2.gz GIEUFUYFIUKMDT-IINYFYTJSA-N 2 2 390.347 2.265 20 0 GEADLP Cc1cc(CC(C)(C)[NH2+]CC(=O)N2CC[NH+](C)CC2)ccc1Br ZINC000429258286 648748580 /nfs/dbraw/zinc/74/85/80/648748580.db2.gz HGBYZNVRGCZXIN-UHFFFAOYSA-N 2 2 382.346 2.442 20 0 GEADLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2cccc(I)c2)CC1 ZINC000551186666 651119461 /nfs/dbraw/zinc/11/94/61/651119461.db2.gz NTXNJZXVCBDTQU-INIZCTEOSA-N 2 2 388.293 2.474 20 0 GEADLP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Br)cn1 ZINC000555368895 651224249 /nfs/dbraw/zinc/22/42/49/651224249.db2.gz AJARGCNICQCRQK-ZDUSSCGKSA-N 2 2 383.334 2.437 20 0 GEADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)C[C@H]3COCC[NH2+]3)nc12 ZINC000643480757 651488652 /nfs/dbraw/zinc/48/86/52/651488652.db2.gz BKMBAWGGIOKDOL-CJNGLKHVSA-N 2 2 381.318 2.304 20 0 GEADLP O=C(CC[NH2+]C[C@H]1CCC[N@H+]1CCCO)Nc1ccc(Br)cc1 ZINC000563137163 651511157 /nfs/dbraw/zinc/51/11/57/651511157.db2.gz AIUSLWUJTNVLBT-MRXNPFEDSA-N 2 2 384.318 2.214 20 0 GEADLP O=C(CC[NH2+]C[C@H]1CCC[N@@H+]1CCCO)Nc1ccc(Br)cc1 ZINC000563137163 651511158 /nfs/dbraw/zinc/51/11/58/651511158.db2.gz AIUSLWUJTNVLBT-MRXNPFEDSA-N 2 2 384.318 2.214 20 0 GEADLP C[C@@]([NH3+])(C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Br)cc1 ZINC000646264997 651684332 /nfs/dbraw/zinc/68/43/32/651684332.db2.gz IEOQDQZIVNCMKS-YJBOKZPZSA-N 2 2 389.297 2.413 20 0 GEADLP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c(Br)c1O ZINC000570093730 651746191 /nfs/dbraw/zinc/74/61/91/651746191.db2.gz QDOBABNJNDORRY-ZDUSSCGKSA-N 2 2 385.302 2.351 20 0 GEADLP COc1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c(Br)c1O ZINC000570093730 651746195 /nfs/dbraw/zinc/74/61/95/651746195.db2.gz QDOBABNJNDORRY-ZDUSSCGKSA-N 2 2 385.302 2.351 20 0 GEADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000647834763 651762051 /nfs/dbraw/zinc/76/20/51/651762051.db2.gz PNPIIYOTESGNNV-UHFFFAOYSA-N 2 2 378.826 2.134 20 0 GEADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000647834763 651762054 /nfs/dbraw/zinc/76/20/54/651762054.db2.gz PNPIIYOTESGNNV-UHFFFAOYSA-N 2 2 378.826 2.134 20 0 GEADLP CC[C@@H]1C[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000647937919 651767275 /nfs/dbraw/zinc/76/72/75/651767275.db2.gz DWESHDNLHGFRLE-RHSMWYFYSA-N 2 2 398.345 2.346 20 0 GEADLP CC[C@@H]1C[N@@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000647937919 651767281 /nfs/dbraw/zinc/76/72/81/651767281.db2.gz DWESHDNLHGFRLE-RHSMWYFYSA-N 2 2 398.345 2.346 20 0 GEADLP CN(C(=O)NCCSCC(F)(F)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000613862830 651800554 /nfs/dbraw/zinc/80/05/54/651800554.db2.gz ZJSKRRODLMTIQO-AWEZNQCLSA-N 2 2 382.496 2.092 20 0 GEADLP CN(C(=O)NCCSCC(F)(F)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000613862830 651800558 /nfs/dbraw/zinc/80/05/58/651800558.db2.gz ZJSKRRODLMTIQO-AWEZNQCLSA-N 2 2 382.496 2.092 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000617763106 651970783 /nfs/dbraw/zinc/97/07/83/651970783.db2.gz FKVCRXPLRGDTFA-KRWDZBQOSA-N 2 2 382.346 2.479 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000617763106 651970792 /nfs/dbraw/zinc/97/07/92/651970792.db2.gz FKVCRXPLRGDTFA-KRWDZBQOSA-N 2 2 382.346 2.479 20 0 GEADLP CO[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccccc1Br ZINC000617763526 651970960 /nfs/dbraw/zinc/97/09/60/651970960.db2.gz TZELXLXDEIQYCU-MRXNPFEDSA-N 2 2 386.334 2.136 20 0 GEADLP CO[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccccc1Br ZINC000617763526 651970963 /nfs/dbraw/zinc/97/09/63/651970963.db2.gz TZELXLXDEIQYCU-MRXNPFEDSA-N 2 2 386.334 2.136 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000617768107 651971594 /nfs/dbraw/zinc/97/15/94/651971594.db2.gz PERREEJXDNNZBT-UHFFFAOYSA-N 2 2 396.329 2.225 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000617768107 651971596 /nfs/dbraw/zinc/97/15/96/651971596.db2.gz PERREEJXDNNZBT-UHFFFAOYSA-N 2 2 396.329 2.225 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(c2cccc(Br)c2)CC1 ZINC000617768145 651971751 /nfs/dbraw/zinc/97/17/51/651971751.db2.gz QRMDCYDPDRLDFL-UHFFFAOYSA-N 2 2 382.346 2.480 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(c2cccc(Br)c2)CC1 ZINC000617768145 651971761 /nfs/dbraw/zinc/97/17/61/651971761.db2.gz QRMDCYDPDRLDFL-UHFFFAOYSA-N 2 2 382.346 2.480 20 0 GEADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cscc3Br)CC2)CC1 ZINC000574439341 652021748 /nfs/dbraw/zinc/02/17/48/652021748.db2.gz QZECYJMCTUEGJZ-UHFFFAOYSA-N 2 2 386.359 2.497 20 0 GEADLP C[C@@H](C(=O)Nc1cccc(I)c1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000576823913 652146012 /nfs/dbraw/zinc/14/60/12/652146012.db2.gz XLHLTNFCAFNLAK-NWDGAFQWSA-N 2 2 387.265 2.289 20 0 GEADLP C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000576823913 652146018 /nfs/dbraw/zinc/14/60/18/652146018.db2.gz XLHLTNFCAFNLAK-NWDGAFQWSA-N 2 2 387.265 2.289 20 0 GEADLP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624085424 652269541 /nfs/dbraw/zinc/26/95/41/652269541.db2.gz TVQGTTDVKFFPFV-LRDDRELGSA-N 2 2 386.309 2.449 20 0 GEADLP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624085424 652269546 /nfs/dbraw/zinc/26/95/46/652269546.db2.gz TVQGTTDVKFFPFV-LRDDRELGSA-N 2 2 386.309 2.449 20 0 GEADLP C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000626040198 652380948 /nfs/dbraw/zinc/38/09/48/652380948.db2.gz ZAIGZFTWJMQJEA-HOCLYGCPSA-N 2 2 380.330 2.401 20 0 GEADLP C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000626040198 652380952 /nfs/dbraw/zinc/38/09/52/652380952.db2.gz ZAIGZFTWJMQJEA-HOCLYGCPSA-N 2 2 380.330 2.401 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CC[C@H](C)[NH2+]C3)[nH+]c12 ZINC000627012752 652412006 /nfs/dbraw/zinc/41/20/06/652412006.db2.gz DWKFTNZDTGTXRU-JSGCOSHPSA-N 2 2 394.317 2.387 20 0 GEADLP C[NH2+][C@H](C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)c1cccc(Cl)c1Cl ZINC000662479127 652463267 /nfs/dbraw/zinc/46/32/67/652463267.db2.gz COVDIODQHAJJNQ-DYVFJYSZSA-N 2 2 387.355 2.254 20 0 GEADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]([NH3+])c1ccccc1Br ZINC000662508320 652465245 /nfs/dbraw/zinc/46/52/45/652465245.db2.gz ZCAHAUWBGGDYCL-MRXNPFEDSA-N 2 2 398.345 2.266 20 0 GEADLP C[NH2+][C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cccc(Cl)c1Cl ZINC000662716626 652471096 /nfs/dbraw/zinc/47/10/96/652471096.db2.gz GRHJXGMDRHEBQN-UXLLHSPISA-N 2 2 386.323 2.312 20 0 GEADLP CCC[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CC[N@@H+]1CCOC ZINC000662824032 652475267 /nfs/dbraw/zinc/47/52/67/652475267.db2.gz AGIAKJKAHYLHMW-PBHICJAKSA-N 2 2 398.345 2.408 20 0 GEADLP CCC[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CC[N@H+]1CCOC ZINC000662824032 652475270 /nfs/dbraw/zinc/47/52/70/652475270.db2.gz AGIAKJKAHYLHMW-PBHICJAKSA-N 2 2 398.345 2.408 20 0 GEADLP CCC[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2Br)CC[N@@H+]1CCOC ZINC000662824033 652475506 /nfs/dbraw/zinc/47/55/06/652475506.db2.gz AGIAKJKAHYLHMW-RHSMWYFYSA-N 2 2 398.345 2.408 20 0 GEADLP CCC[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2Br)CC[N@H+]1CCOC ZINC000662824033 652475509 /nfs/dbraw/zinc/47/55/09/652475509.db2.gz AGIAKJKAHYLHMW-RHSMWYFYSA-N 2 2 398.345 2.408 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1sccc1Br ZINC000663864501 652513671 /nfs/dbraw/zinc/51/36/71/652513671.db2.gz AKSFFQHYIRILSO-UHFFFAOYSA-N 2 2 377.352 2.193 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1sccc1Br ZINC000663864501 652513677 /nfs/dbraw/zinc/51/36/77/652513677.db2.gz AKSFFQHYIRILSO-UHFFFAOYSA-N 2 2 377.352 2.193 20 0 GEADLP Cc1nc(NCC2(N3CCOCC3)CC[NH+](C)CC2)c(Br)c(C)[nH+]1 ZINC000664012223 652518036 /nfs/dbraw/zinc/51/80/36/652518036.db2.gz PRUFJZNSYRIAEC-UHFFFAOYSA-N 2 2 398.349 2.064 20 0 GEADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)n1 ZINC000665292063 652550643 /nfs/dbraw/zinc/55/06/43/652550643.db2.gz RSQQSVMIRBUYRG-CYBMUJFWSA-N 2 2 379.258 2.407 20 0 GEADLP Cc1c(Br)cncc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668618436 652653046 /nfs/dbraw/zinc/65/30/46/652653046.db2.gz QZNLCPVSFYZRSU-OAHLLOKOSA-N 2 2 395.345 2.393 20 0 GEADLP Cc1c(Br)cncc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668618436 652653053 /nfs/dbraw/zinc/65/30/53/652653053.db2.gz QZNLCPVSFYZRSU-OAHLLOKOSA-N 2 2 395.345 2.393 20 0 GEADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000639764600 652952588 /nfs/dbraw/zinc/95/25/88/652952588.db2.gz HLWVBEQAPDQVDL-PBHICJAKSA-N 2 2 377.312 2.122 20 0 GEADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000639764600 652952592 /nfs/dbraw/zinc/95/25/92/652952592.db2.gz HLWVBEQAPDQVDL-PBHICJAKSA-N 2 2 377.312 2.122 20 0 GEADLP CS[C@@H]1CN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C[C@@H]1[NH+]1CCCC1 ZINC000602135648 653149589 /nfs/dbraw/zinc/14/95/89/653149589.db2.gz LICNNSJJBBZEFU-MJBXVCDLSA-N 2 2 376.448 2.415 20 0 GEADLP CN(C(=O)c1csc(Br)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000874460383 653321326 /nfs/dbraw/zinc/32/13/26/653321326.db2.gz VOLNLJOHMUDEAM-LBPRGKRZSA-N 2 2 387.347 2.146 20 0 GEADLP CN(C(=O)c1csc(Br)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000874460383 653321332 /nfs/dbraw/zinc/32/13/32/653321332.db2.gz VOLNLJOHMUDEAM-LBPRGKRZSA-N 2 2 387.347 2.146 20 0 GEADLP Cn1cc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c(Br)n1 ZINC000858121792 653349781 /nfs/dbraw/zinc/34/97/81/653349781.db2.gz HDNYFSAWOSKLSJ-KRWDZBQOSA-N 2 2 392.345 2.261 20 0 GEADLP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000877989799 653625449 /nfs/dbraw/zinc/62/54/49/653625449.db2.gz FKGKDMNDMPTWSM-FUHWJXTLSA-N 2 2 386.323 2.094 20 0 GEADLP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000877989799 653625452 /nfs/dbraw/zinc/62/54/52/653625452.db2.gz FKGKDMNDMPTWSM-FUHWJXTLSA-N 2 2 386.323 2.094 20 0 GEADLP O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000784541034 653696730 /nfs/dbraw/zinc/69/67/30/653696730.db2.gz HVWPWAOMKJRYMU-UHFFFAOYSA-N 2 2 390.481 2.288 20 0 GEADLP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCO[C@@H](c3ccccc3Br)C2)C1 ZINC000841022476 653705372 /nfs/dbraw/zinc/70/53/72/653705372.db2.gz NMKQCGRZKDHGEO-WMLDXEAASA-N 2 2 396.329 2.020 20 0 GEADLP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCO[C@@H](c3ccccc3Br)C2)C1 ZINC000841022476 653705379 /nfs/dbraw/zinc/70/53/79/653705379.db2.gz NMKQCGRZKDHGEO-WMLDXEAASA-N 2 2 396.329 2.020 20 0 GEADLP Cn1nc(Br)cc1C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000785446911 653709434 /nfs/dbraw/zinc/70/94/34/653709434.db2.gz HZEIKRIXGSRWKW-QGZVFWFLSA-N 2 2 392.345 2.261 20 0 GEADLP CC[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1)[NH+](C)C ZINC000787673112 653741943 /nfs/dbraw/zinc/74/19/43/653741943.db2.gz VANRAZHFYLZBTR-HNNXBMFYSA-N 2 2 383.334 2.480 20 0 GEADLP CN(C(=O)c1nc(Br)ccc1F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000792164162 653836593 /nfs/dbraw/zinc/83/65/93/653836593.db2.gz HOEZLDMWTCZSOZ-ZDUSSCGKSA-N 2 2 399.308 2.224 20 0 GEADLP CN(C(=O)c1nc(Br)ccc1F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000792164162 653836598 /nfs/dbraw/zinc/83/65/98/653836598.db2.gz HOEZLDMWTCZSOZ-ZDUSSCGKSA-N 2 2 399.308 2.224 20 0 GEADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3c(C)[nH]nc3Br)CC2)CC1 ZINC000823113716 653853842 /nfs/dbraw/zinc/85/38/42/653853842.db2.gz DYDNBUUUMKXOMK-UHFFFAOYSA-N 2 2 398.349 2.113 20 0 GEADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3c(C)[nH]nc3Br)CC2)CC1 ZINC000823113716 653853845 /nfs/dbraw/zinc/85/38/45/653853845.db2.gz DYDNBUUUMKXOMK-UHFFFAOYSA-N 2 2 398.349 2.113 20 0 GEADLP C[C@H]1CCSCC[NH+]1CCS(=O)(=O)CC[N@H+]1CCSCC[C@@H]1C ZINC000794570822 653911826 /nfs/dbraw/zinc/91/18/26/653911826.db2.gz PMEPTSDHDHPAAR-HOTGVXAUSA-N 2 2 380.645 2.056 20 0 GEADLP C[C@H]1CCSCC[NH+]1CCS(=O)(=O)CC[N@@H+]1CCSCC[C@@H]1C ZINC000794570822 653911830 /nfs/dbraw/zinc/91/18/30/653911830.db2.gz PMEPTSDHDHPAAR-HOTGVXAUSA-N 2 2 380.645 2.056 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3nc(F)ccc3Br)CC2)CC1 ZINC000847408689 653927399 /nfs/dbraw/zinc/92/73/99/653927399.db2.gz DFOOMVLSBMFPRP-UHFFFAOYSA-N 2 2 399.308 2.272 20 0 GEADLP Cc1nc(Br)sc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000827533459 653996420 /nfs/dbraw/zinc/99/64/20/653996420.db2.gz UUQGRZUPESDMQP-UHFFFAOYSA-N 2 2 389.363 2.312 20 0 GEADLP Cc1nc(Br)sc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000827533459 653996429 /nfs/dbraw/zinc/99/64/29/653996429.db2.gz UUQGRZUPESDMQP-UHFFFAOYSA-N 2 2 389.363 2.312 20 0 GEADLP C[N@@H+]1CC[C@H]1CNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000921487773 654274001 /nfs/dbraw/zinc/27/40/01/654274001.db2.gz WREGYMGXOZWTTB-KRWDZBQOSA-N 2 2 395.345 2.417 20 0 GEADLP C[N@H+]1CC[C@H]1CNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000921487773 654274008 /nfs/dbraw/zinc/27/40/08/654274008.db2.gz WREGYMGXOZWTTB-KRWDZBQOSA-N 2 2 395.345 2.417 20 0 GEADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)Nc1ccc(I)cc1)C2 ZINC000903850501 654287380 /nfs/dbraw/zinc/28/73/80/654287380.db2.gz SHTXESZATRKDJF-SUHUHFCYSA-N 2 2 385.249 2.041 20 0 GEADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)Nc1ccc(I)cc1)C2 ZINC000903850501 654287385 /nfs/dbraw/zinc/28/73/85/654287385.db2.gz SHTXESZATRKDJF-SUHUHFCYSA-N 2 2 385.249 2.041 20 0 GEADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)Nc1cccc(I)c1)C2 ZINC000903850198 654287628 /nfs/dbraw/zinc/28/76/28/654287628.db2.gz LZVGOVZIJIUQOH-JKOKRWQUSA-N 2 2 385.249 2.041 20 0 GEADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)Nc1cccc(I)c1)C2 ZINC000903850198 654287631 /nfs/dbraw/zinc/28/76/31/654287631.db2.gz LZVGOVZIJIUQOH-JKOKRWQUSA-N 2 2 385.249 2.041 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)NCCC(C)(C)[NH3+])[nH+]c12 ZINC000891784360 654311559 /nfs/dbraw/zinc/31/15/59/654311559.db2.gz SMGQWWWKGZUGCD-UHFFFAOYSA-N 2 2 382.306 2.374 20 0 GEADLP [NH3+][C@H]1C[C@H](CNC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)C1 ZINC000892566926 654351685 /nfs/dbraw/zinc/35/16/85/654351685.db2.gz OIHNLIPKCLUPCY-JOCQHMNTSA-N 2 2 396.289 2.188 20 0 GEADLP CCO[C@H](C[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F)C[NH+](C)C ZINC000905580331 654367463 /nfs/dbraw/zinc/36/74/63/654367463.db2.gz OHIAFXAYLHEJKW-CZUORRHYSA-N 2 2 377.298 2.352 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(C(F)(F)Br)nc1 ZINC000855415185 654418097 /nfs/dbraw/zinc/41/80/97/654418097.db2.gz TUQIVWMGPWFEBR-UHFFFAOYSA-N 2 2 393.276 2.139 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(C(F)(F)Br)nc1 ZINC000855415185 654418101 /nfs/dbraw/zinc/41/81/01/654418101.db2.gz TUQIVWMGPWFEBR-UHFFFAOYSA-N 2 2 393.276 2.139 20 0 GEADLP CS(=O)(=O)N1CC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)Cc2ccccc21 ZINC000873210296 654422924 /nfs/dbraw/zinc/42/29/24/654422924.db2.gz BFAYPMNBJGRQQJ-UHFFFAOYSA-N 2 2 377.535 2.176 20 0 GEADLP CS(=O)(=O)N1CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)Cc2ccccc21 ZINC000873210296 654422927 /nfs/dbraw/zinc/42/29/27/654422927.db2.gz BFAYPMNBJGRQQJ-UHFFFAOYSA-N 2 2 377.535 2.176 20 0 GEADLP Cn1ncc(I)c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000873277942 654423561 /nfs/dbraw/zinc/42/35/61/654423561.db2.gz XTIWMWRGJSLJKJ-FPMFFAJLSA-N 2 2 388.297 2.425 20 0 GEADLP COCC[NH2+]C1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000923386734 654448088 /nfs/dbraw/zinc/44/80/88/654448088.db2.gz DULBCEYNUCFRJG-HNNXBMFYSA-N 2 2 377.312 2.434 20 0 GEADLP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CC(=O)Nc1ccccc1Br)CC2 ZINC000923456771 654454157 /nfs/dbraw/zinc/45/41/57/654454157.db2.gz GFLQWCDJICTRMX-CYBMUJFWSA-N 2 2 382.302 2.217 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000873940851 654485904 /nfs/dbraw/zinc/48/59/04/654485904.db2.gz VTQCAWHGLPNESH-UHFFFAOYSA-N 2 2 393.290 2.071 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000873940851 654485908 /nfs/dbraw/zinc/48/59/08/654485908.db2.gz VTQCAWHGLPNESH-UHFFFAOYSA-N 2 2 393.290 2.071 20 0 GEADLP O=S(=O)(N1CCC(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1)C(F)(F)F ZINC000925041067 654532270 /nfs/dbraw/zinc/53/22/70/654532270.db2.gz TVVWBIWWXIFKRA-LSDHHAIUSA-N 2 2 383.480 2.155 20 0 GEADLP O=S(=O)(N1CCC(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1)C(F)(F)F ZINC000925041067 654532274 /nfs/dbraw/zinc/53/22/74/654532274.db2.gz TVVWBIWWXIFKRA-LSDHHAIUSA-N 2 2 383.480 2.155 20 0 GEADLP Cc1nc2cc(Br)cc(NC(=O)NCC[NH+]3CCC([NH3+])CC3)c2o1 ZINC000926095314 654558747 /nfs/dbraw/zinc/55/87/47/654558747.db2.gz KZORGFWJZLCKOR-UHFFFAOYSA-N 2 2 396.289 2.443 20 0 GEADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC[S@@](=O)C(F)(F)F ZINC000929810854 654692403 /nfs/dbraw/zinc/69/24/03/654692403.db2.gz ZQFMHOSUBQAHJM-RUZDIDTESA-N 3 2 383.524 2.383 20 0 GEADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC[S@@](=O)C(F)(F)F ZINC000929810854 654692406 /nfs/dbraw/zinc/69/24/06/654692406.db2.gz ZQFMHOSUBQAHJM-RUZDIDTESA-N 3 2 383.524 2.383 20 0 GEADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2cccc(F)c2Br)CC1 ZINC000930167892 654700994 /nfs/dbraw/zinc/70/09/94/654700994.db2.gz LWBSQNDMNKTWBS-UHFFFAOYSA-N 2 2 387.293 2.247 20 0 GEADLP C[NH+](C)CC1(O)CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000931482560 654743648 /nfs/dbraw/zinc/74/36/48/654743648.db2.gz XKEUYURCBBQJGT-MRXNPFEDSA-N 2 2 386.323 2.487 20 0 GEADLP C[NH+](C)CC1(O)CC[NH+](CC[S@@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000931485538 654743680 /nfs/dbraw/zinc/74/36/80/654743680.db2.gz MHVHOBTUDCWJNR-HSZRJFAPSA-N 2 2 379.353 2.490 20 0 GEADLP CC[NH+](CC)[C@H](CNC(=S)NCCC[NH+]1CCOCC1)c1ccsc1 ZINC000915126492 654863349 /nfs/dbraw/zinc/86/33/49/654863349.db2.gz GKUXCNBKQGLSQH-QGZVFWFLSA-N 2 2 384.615 2.317 20 0 GEADLP C[NH+]1CCN(c2cccc(N3CC[C@]4(C[NH2+]C[C@H]4c4ccccc4)C3)[nH+]2)CC1 ZINC001164626475 719047114 /nfs/dbraw/zinc/04/71/14/719047114.db2.gz RMEPQQPGCRWEAY-REWPJTCUSA-N 3 2 377.536 2.417 20 0 GEADLP c1ccc(C[N@@H+]2C[C@H]3CCCN(c4cc[nH+]c(N5CCOCC5)n4)[C@H]3C2)cc1 ZINC001164626682 719087267 /nfs/dbraw/zinc/08/72/67/719087267.db2.gz INPKNRMQBSQXGH-UXHICEINSA-N 2 2 379.508 2.414 20 0 GEADLP c1ccc(C[N@H+]2C[C@H]3CCCN(c4cc[nH+]c(N5CCOCC5)n4)[C@H]3C2)cc1 ZINC001164626682 719087272 /nfs/dbraw/zinc/08/72/72/719087272.db2.gz INPKNRMQBSQXGH-UXHICEINSA-N 2 2 379.508 2.414 20 0 GEADLP COCCN1CC[N@H+](C)C2(CCN(c3cc(OC)c4ccccc4[nH+]3)CC2)C1=O ZINC001164642195 719278053 /nfs/dbraw/zinc/27/80/53/719278053.db2.gz YIULVJWBKRGWDZ-UHFFFAOYSA-N 2 2 398.507 2.003 20 0 GEADLP COCCN1CC[N@@H+](C)C2(CCN(c3cc(OC)c4ccccc4[nH+]3)CC2)C1=O ZINC001164642195 719278055 /nfs/dbraw/zinc/27/80/55/719278055.db2.gz YIULVJWBKRGWDZ-UHFFFAOYSA-N 2 2 398.507 2.003 20 0 GEADLP Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ncc4c(n2)C[NH2+]C4)CC3)cc1 ZINC001164674508 719507249 /nfs/dbraw/zinc/50/72/49/719507249.db2.gz YSIIEDWEMNDYJW-UHFFFAOYSA-N 2 2 383.471 2.090 20 0 GEADLP Fc1ccc(C[N@H+]2CCOCC23CCN(c2ncc4c(n2)C[NH2+]C4)CC3)cc1 ZINC001164674508 719507260 /nfs/dbraw/zinc/50/72/60/719507260.db2.gz YSIIEDWEMNDYJW-UHFFFAOYSA-N 2 2 383.471 2.090 20 0 GEADLP COc1ccc2c(cc[nH+]c2N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164742250 720653945 /nfs/dbraw/zinc/65/39/45/720653945.db2.gz MFVJLLSRFNUOHD-SJLPKXTDSA-N 2 2 377.448 2.375 20 0 GEADLP COc1ccc2c(cc[nH+]c2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164742250 720653962 /nfs/dbraw/zinc/65/39/62/720653962.db2.gz MFVJLLSRFNUOHD-SJLPKXTDSA-N 2 2 377.448 2.375 20 0 GEADLP Cc1cc(Cl)c(C)c(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)[nH+]1 ZINC001164750814 720956677 /nfs/dbraw/zinc/95/66/77/720956677.db2.gz MBKVLVKGZLRQGG-UHFFFAOYSA-N 2 2 377.876 2.194 20 0 GEADLP C[NH+](C)Cc1ccnc(N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)c1 ZINC001164766324 721276748 /nfs/dbraw/zinc/27/67/48/721276748.db2.gz DCOBBDIEGGIVCM-GOSISDBHSA-N 2 2 378.480 2.450 20 0 GEADLP Cc1cc(N2CCCC2)nc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)[nH+]1 ZINC001165008970 721692744 /nfs/dbraw/zinc/69/27/44/721692744.db2.gz MPIHUMYXBPYQJQ-UHFFFAOYSA-N 2 2 384.532 2.227 20 0 GEADLP Cc1cc(N2CCCC2)nc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)[nH+]1 ZINC001165008970 721692747 /nfs/dbraw/zinc/69/27/47/721692747.db2.gz MPIHUMYXBPYQJQ-UHFFFAOYSA-N 2 2 384.532 2.227 20 0 GEADLP c1ccc(C[N@H+]2CCc3c(ncnc3N3CC[NH+](C[C@H]4CCCO4)CC3)C2)cc1 ZINC001165038094 721907808 /nfs/dbraw/zinc/90/78/08/721907808.db2.gz JOOYDFODWMIZPF-HXUWFJFHSA-N 2 2 393.535 2.336 20 0 GEADLP c1ccc(C[N@@H+]2CCc3c(ncnc3N3CC[NH+](C[C@H]4CCCO4)CC3)C2)cc1 ZINC001165038094 721907811 /nfs/dbraw/zinc/90/78/11/721907811.db2.gz JOOYDFODWMIZPF-HXUWFJFHSA-N 2 2 393.535 2.336 20 0 GEADLP [NH3+]C1CCN(c2cccc(N3CC[NH+](CCOc4ccccc4)CC3)[nH+]2)CC1 ZINC001165044816 721959000 /nfs/dbraw/zinc/95/90/00/721959000.db2.gz OWSYJMCKSKAZPQ-UHFFFAOYSA-N 3 2 381.524 2.210 20 0 GEADLP CCN(CC)c1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc[nH+]1 ZINC001164976049 722130620 /nfs/dbraw/zinc/13/06/20/722130620.db2.gz GTVAMMAYJKYSLH-VQTJNVASSA-N 2 2 396.539 2.445 20 0 GEADLP CCN(CC)c1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc[nH+]1 ZINC001164976049 722130627 /nfs/dbraw/zinc/13/06/27/722130627.db2.gz GTVAMMAYJKYSLH-VQTJNVASSA-N 2 2 396.539 2.445 20 0 GEADLP CC[C@@H]1C[N@H+](CC(=O)Nc2cccc(I)c2)CC[C@@H]1[NH3+] ZINC000122767327 532082203 /nfs/dbraw/zinc/08/22/03/532082203.db2.gz DECCFBZKOXJYCQ-RISCZKNCSA-N 2 2 387.265 2.289 20 0 GEADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2cccc(I)c2)CC[C@@H]1[NH3+] ZINC000122767327 532082209 /nfs/dbraw/zinc/08/22/09/532082209.db2.gz DECCFBZKOXJYCQ-RISCZKNCSA-N 2 2 387.265 2.289 20 0 GEADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000123663258 532105482 /nfs/dbraw/zinc/10/54/82/532105482.db2.gz VKPUWXJPTXYLGB-ZDUSSCGKSA-N 2 2 392.301 2.471 20 0 GEADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000123663258 532105486 /nfs/dbraw/zinc/10/54/86/532105486.db2.gz VKPUWXJPTXYLGB-ZDUSSCGKSA-N 2 2 392.301 2.471 20 0 GEADLP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)Nc1ccccc1Br ZINC000129678315 532182188 /nfs/dbraw/zinc/18/21/88/532182188.db2.gz ZLROJPZNSFCHJX-HNNXBMFYSA-N 2 2 396.329 2.432 20 0 GEADLP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)Nc1ccccc1Br ZINC000129678315 532182192 /nfs/dbraw/zinc/18/21/92/532182192.db2.gz ZLROJPZNSFCHJX-HNNXBMFYSA-N 2 2 396.329 2.432 20 0 GEADLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000181022284 532288991 /nfs/dbraw/zinc/28/89/91/532288991.db2.gz YTRQKGGYCDZMLR-PBHICJAKSA-N 2 2 396.329 2.033 20 0 GEADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000188743755 532349427 /nfs/dbraw/zinc/34/94/27/532349427.db2.gz VYNHZZIMUPMPHS-CYBMUJFWSA-N 2 2 381.318 2.374 20 0 GEADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000188743755 532349428 /nfs/dbraw/zinc/34/94/28/532349428.db2.gz VYNHZZIMUPMPHS-CYBMUJFWSA-N 2 2 381.318 2.374 20 0 GEADLP COc1cc2[nH+]ccc(N[C@H](C)CN3CC[NH+](C)CC3)c2cc1Br ZINC000425235068 532378252 /nfs/dbraw/zinc/37/82/52/532378252.db2.gz YMBIIYNJELHODB-CYBMUJFWSA-N 2 2 393.329 2.476 20 0 GEADLP O[C@H]1CCC[NH+](Cc2cc(Br)ccc2C[N@H+]2CCC[C@H](O)C2)C1 ZINC000192060373 532382449 /nfs/dbraw/zinc/38/24/49/532382449.db2.gz JHXYXUXJOGCSHU-ROUUACIJSA-N 2 2 383.330 2.363 20 0 GEADLP O[C@H]1CCC[NH+](Cc2cc(Br)ccc2C[N@@H+]2CCC[C@H](O)C2)C1 ZINC000192060373 532382459 /nfs/dbraw/zinc/38/24/59/532382459.db2.gz JHXYXUXJOGCSHU-ROUUACIJSA-N 2 2 383.330 2.363 20 0 GEADLP O[C@H]1CCC[NH+](Cc2ccc(Br)cc2C[N@@H+]2CCC[C@H](O)C2)C1 ZINC000192060373 532382465 /nfs/dbraw/zinc/38/24/65/532382465.db2.gz JHXYXUXJOGCSHU-ROUUACIJSA-N 2 2 383.330 2.363 20 0 GEADLP O[C@H]1CCC[NH+](Cc2ccc(Br)cc2C[N@H+]2CCC[C@H](O)C2)C1 ZINC000192060373 532382469 /nfs/dbraw/zinc/38/24/69/532382469.db2.gz JHXYXUXJOGCSHU-ROUUACIJSA-N 2 2 383.330 2.363 20 0 GEADLP COC(=O)COC[C@@H](C)[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000294923454 532390805 /nfs/dbraw/zinc/39/08/05/532390805.db2.gz BQNHFEYRINEUCU-GFCCVEGCSA-N 2 2 384.274 2.115 20 0 GEADLP Brc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c(N2CCOCC2)c1 ZINC000427109940 532411287 /nfs/dbraw/zinc/41/12/87/532411287.db2.gz TUTURYKUOYAOAQ-WMLDXEAASA-N 2 2 380.330 2.470 20 0 GEADLP Brc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c(N2CCOCC2)c1 ZINC000427109940 532411298 /nfs/dbraw/zinc/41/12/98/532411298.db2.gz TUTURYKUOYAOAQ-WMLDXEAASA-N 2 2 380.330 2.470 20 0 GEADLP O=C1[C@@H]([NH2+]Cc2csc(Cl)c2Cl)CCCN1CC[NH+]1CCOCC1 ZINC000372914720 532419152 /nfs/dbraw/zinc/41/91/52/532419152.db2.gz APOCUQZVJFSDSL-ZDUSSCGKSA-N 2 2 392.352 2.468 20 0 GEADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cncc(Br)c3)[nH+]c2)C1 ZINC000466459424 532428992 /nfs/dbraw/zinc/42/89/92/532428992.db2.gz XPYHOAVARORMEZ-MRXNPFEDSA-N 2 2 376.302 2.992 20 0 GEADLP CN(C(=O)c1csc(C(F)(F)F)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373501905 532453820 /nfs/dbraw/zinc/45/38/20/532453820.db2.gz KQLMAYCVUBJHNW-GFCCVEGCSA-N 2 2 376.448 2.402 20 0 GEADLP CN(C(=O)c1csc(C(F)(F)F)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373501905 532453825 /nfs/dbraw/zinc/45/38/25/532453825.db2.gz KQLMAYCVUBJHNW-GFCCVEGCSA-N 2 2 376.448 2.402 20 0 GEADLP CN(C(=O)c1csc(C(F)(F)F)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373501906 532454325 /nfs/dbraw/zinc/45/43/25/532454325.db2.gz KQLMAYCVUBJHNW-LBPRGKRZSA-N 2 2 376.448 2.402 20 0 GEADLP CN(C(=O)c1csc(C(F)(F)F)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373501906 532454331 /nfs/dbraw/zinc/45/43/31/532454331.db2.gz KQLMAYCVUBJHNW-LBPRGKRZSA-N 2 2 376.448 2.402 20 0 GEADLP Cc1nn(C)c(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)c1Br ZINC000373840766 532473628 /nfs/dbraw/zinc/47/36/28/532473628.db2.gz GAIFVPBWBCVWLX-VHDGCEQUSA-N 2 2 385.350 2.470 20 0 GEADLP Cc1nn(C)c(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)c1Br ZINC000373840766 532473631 /nfs/dbraw/zinc/47/36/31/532473631.db2.gz GAIFVPBWBCVWLX-VHDGCEQUSA-N 2 2 385.350 2.470 20 0 GEADLP C[NH+](C)CCN1CCN(c2cc[nH+]c3c(Br)cccc23)CC1=O ZINC000651384007 532471143 /nfs/dbraw/zinc/47/11/43/532471143.db2.gz YELZDDADRWBUNE-UHFFFAOYSA-N 2 2 377.286 2.208 20 0 GEADLP CC[C@H](Cc1ccccc1Br)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000519590469 532471622 /nfs/dbraw/zinc/47/16/22/532471622.db2.gz JSILVCIHMPSFNE-HUUCEWRRSA-N 2 2 383.334 2.055 20 0 GEADLP CC[C@H](Cc1ccccc1Br)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000519590469 532471626 /nfs/dbraw/zinc/47/16/26/532471626.db2.gz JSILVCIHMPSFNE-HUUCEWRRSA-N 2 2 383.334 2.055 20 0 GEADLP Cc1nn(C)c(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)c1Br ZINC000373840763 532474200 /nfs/dbraw/zinc/47/42/00/532474200.db2.gz GAIFVPBWBCVWLX-BPLDGKMQSA-N 2 2 385.350 2.470 20 0 GEADLP Cc1nn(C)c(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)c1Br ZINC000373840763 532474206 /nfs/dbraw/zinc/47/42/06/532474206.db2.gz GAIFVPBWBCVWLX-BPLDGKMQSA-N 2 2 385.350 2.470 20 0 GEADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430614388 532502341 /nfs/dbraw/zinc/50/23/41/532502341.db2.gz YYDLPSAPUDEYNZ-RYUDHWBXSA-N 2 2 387.311 2.107 20 0 GEADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430614388 532502345 /nfs/dbraw/zinc/50/23/45/532502345.db2.gz YYDLPSAPUDEYNZ-RYUDHWBXSA-N 2 2 387.311 2.107 20 0 GEADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430611378 532501599 /nfs/dbraw/zinc/50/15/99/532501599.db2.gz NYDCNJPXAICLKU-RYUDHWBXSA-N 2 2 387.311 2.107 20 0 GEADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430611378 532501602 /nfs/dbraw/zinc/50/16/02/532501602.db2.gz NYDCNJPXAICLKU-RYUDHWBXSA-N 2 2 387.311 2.107 20 0 GEADLP CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653058929 532528496 /nfs/dbraw/zinc/52/84/96/532528496.db2.gz MJWNIEDOFMJZFA-CQSZACIVSA-N 2 2 389.327 2.450 20 0 GEADLP Cc1cc(Br)cn2cc(C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)nc12 ZINC000564825513 532533036 /nfs/dbraw/zinc/53/30/36/532533036.db2.gz MJVNFCUAEHZHMO-HOTGVXAUSA-N 2 2 379.302 2.262 20 0 GEADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ncc(Br)cc3F)cn2)CC1 ZINC000527634841 532549433 /nfs/dbraw/zinc/54/94/33/532549433.db2.gz DWMNLBSSIQIVJL-UHFFFAOYSA-N 2 2 394.292 2.420 20 0 GEADLP O=S(=O)(c1ccc(Cl)s1)N1CCC[N@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000262043088 532582727 /nfs/dbraw/zinc/58/27/27/532582727.db2.gz YPLDOOZRXBFDDM-ZDUSSCGKSA-N 2 2 377.963 2.098 20 0 GEADLP O=S(=O)(c1ccc(Cl)s1)N1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000262043088 532582731 /nfs/dbraw/zinc/58/27/31/532582731.db2.gz YPLDOOZRXBFDDM-ZDUSSCGKSA-N 2 2 377.963 2.098 20 0 GEADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000262423248 532593376 /nfs/dbraw/zinc/59/33/76/532593376.db2.gz FFMTXFCTFBWNKI-JTQLQIEISA-N 2 2 376.245 2.014 20 0 GEADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000262423248 532593384 /nfs/dbraw/zinc/59/33/84/532593384.db2.gz FFMTXFCTFBWNKI-JTQLQIEISA-N 2 2 376.245 2.014 20 0 GEADLP Fc1cccc(Br)c1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000376569400 532618971 /nfs/dbraw/zinc/61/89/71/532618971.db2.gz GKMKVPTVWZRJGV-CQSZACIVSA-N 2 2 386.309 2.084 20 0 GEADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](c2cc(Cl)ccc2Cl)[C@H]2CCOC2)CC1 ZINC000376176452 532600474 /nfs/dbraw/zinc/60/04/74/532600474.db2.gz BEDRLKIVPZNQGQ-UGSOOPFHSA-N 2 2 386.323 2.435 20 0 GEADLP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccc(Cl)cc1 ZINC000655914028 532602706 /nfs/dbraw/zinc/60/27/06/532602706.db2.gz XMWKKZFVLXJVAI-NEPJUHHUSA-N 2 2 375.782 2.352 20 0 GEADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000284684926 532610454 /nfs/dbraw/zinc/61/04/54/532610454.db2.gz HNWJWJSSABWUGB-GUYCJALGSA-N 2 2 395.345 2.437 20 0 GEADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000284684922 532611094 /nfs/dbraw/zinc/61/10/94/532611094.db2.gz HNWJWJSSABWUGB-CXAGYDPISA-N 2 2 395.345 2.437 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC=C(Br)C3)CC2)CC1 ZINC000376382860 532611087 /nfs/dbraw/zinc/61/10/87/532611087.db2.gz FHFYFOVOACJELT-UHFFFAOYSA-N 2 2 385.350 2.239 20 0 GEADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3cccc(Br)c3C2)CC1 ZINC000531802321 532636221 /nfs/dbraw/zinc/63/62/21/532636221.db2.gz UWINGQBJXUIYMT-CQSZACIVSA-N 2 2 380.330 2.360 20 0 GEADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCc3cccc(Br)c3C2)CC1 ZINC000531802321 532636228 /nfs/dbraw/zinc/63/62/28/532636228.db2.gz UWINGQBJXUIYMT-CQSZACIVSA-N 2 2 380.330 2.360 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000656880719 532638451 /nfs/dbraw/zinc/63/84/51/532638451.db2.gz MKYCKYLEIMRETK-UHFFFAOYSA-N 2 2 391.940 2.267 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000656880719 532638455 /nfs/dbraw/zinc/63/84/55/532638455.db2.gz MKYCKYLEIMRETK-UHFFFAOYSA-N 2 2 391.940 2.267 20 0 GEADLP C[N@@H+]1CCN(C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)[C@@H](C[NH3+])C1 ZINC000567096652 532640199 /nfs/dbraw/zinc/64/01/99/532640199.db2.gz MJQCAIRKHYLFHG-AWEZNQCLSA-N 2 2 379.917 2.248 20 0 GEADLP C[N@H+]1CCN(C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)[C@@H](C[NH3+])C1 ZINC000567096652 532640208 /nfs/dbraw/zinc/64/02/08/532640208.db2.gz MJQCAIRKHYLFHG-AWEZNQCLSA-N 2 2 379.917 2.248 20 0 GEADLP C[N@@H+]1CCN(C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)[C@H](C[NH3+])C1 ZINC000567096653 532640284 /nfs/dbraw/zinc/64/02/84/532640284.db2.gz MJQCAIRKHYLFHG-CQSZACIVSA-N 2 2 379.917 2.248 20 0 GEADLP C[N@H+]1CCN(C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)[C@H](C[NH3+])C1 ZINC000567096653 532640287 /nfs/dbraw/zinc/64/02/87/532640287.db2.gz MJQCAIRKHYLFHG-CQSZACIVSA-N 2 2 379.917 2.248 20 0 GEADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000567167517 532642429 /nfs/dbraw/zinc/64/24/29/532642429.db2.gz ZQJWUNQHDZHQKS-FRRDWIJNSA-N 2 2 399.276 2.160 20 0 GEADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000567167517 532642434 /nfs/dbraw/zinc/64/24/34/532642434.db2.gz ZQJWUNQHDZHQKS-FRRDWIJNSA-N 2 2 399.276 2.160 20 0 GEADLP O=c1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)nc2ccc(Br)cn12 ZINC000533484773 532663897 /nfs/dbraw/zinc/66/38/97/532663897.db2.gz ZCHUTZKFCJDVJA-UHFFFAOYSA-N 2 2 388.269 2.491 20 0 GEADLP NC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000568237315 532673749 /nfs/dbraw/zinc/67/37/49/532673749.db2.gz XMMUGISZBQIYFB-ULQDDVLXSA-N 2 2 396.329 2.194 20 0 GEADLP Cc1ccc(Br)cc1-c1nnc(N2CC[N@@H+](C)C[C@@H]2C[NH3+])s1 ZINC000568611254 532682868 /nfs/dbraw/zinc/68/28/68/532682868.db2.gz MOOYGEMSSQCDOR-LBPRGKRZSA-N 2 2 382.331 2.355 20 0 GEADLP Cc1ccc(Br)cc1-c1nnc(N2CC[N@H+](C)C[C@@H]2C[NH3+])s1 ZINC000568611254 532682872 /nfs/dbraw/zinc/68/28/72/532682872.db2.gz MOOYGEMSSQCDOR-LBPRGKRZSA-N 2 2 382.331 2.355 20 0 GEADLP Cn1cc[nH+]c1N1CC[NH+](Cc2cc3c(cc2Br)OCO3)CC1 ZINC000535560192 532682991 /nfs/dbraw/zinc/68/29/91/532682991.db2.gz WNMCHZKFGBKLQA-UHFFFAOYSA-N 2 2 379.258 2.234 20 0 GEADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000579712207 532743455 /nfs/dbraw/zinc/74/34/55/532743455.db2.gz KMRXPPYAZYPFLA-BMFZPTHFSA-N 2 2 380.330 2.337 20 0 GEADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000579712207 532743461 /nfs/dbraw/zinc/74/34/61/532743461.db2.gz KMRXPPYAZYPFLA-BMFZPTHFSA-N 2 2 380.330 2.337 20 0 GEADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000675781888 532740706 /nfs/dbraw/zinc/74/07/06/532740706.db2.gz FWCMRYVTJGFKDC-HNNXBMFYSA-N 2 2 382.302 2.026 20 0 GEADLP C[NH+](C)CCOCCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000541528740 532754935 /nfs/dbraw/zinc/75/49/35/532754935.db2.gz QHDOXKOZQBYXSJ-QGZVFWFLSA-N 2 2 398.345 2.280 20 0 GEADLP CN(C)c1cc[nH+]cc1C[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000509400180 532768187 /nfs/dbraw/zinc/76/81/87/532768187.db2.gz KOQIACSOPLSDJU-UHFFFAOYSA-N 2 2 386.880 2.008 20 0 GEADLP C[C@H](CC[NH+]1C[C@H](C)S(=O)[C@@H](C)C1)CC[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000411625348 532770684 /nfs/dbraw/zinc/77/06/84/532770684.db2.gz VYFOSJHMAWUQGI-HSHCXIQHSA-N 2 2 376.632 2.085 20 0 GEADLP C[C@H](CC[NH+]1C[C@H](C)S(=O)[C@@H](C)C1)CC[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000411625348 532770686 /nfs/dbraw/zinc/77/06/86/532770686.db2.gz VYFOSJHMAWUQGI-HSHCXIQHSA-N 2 2 376.632 2.085 20 0 GEADLP Cc1cc(Br)ccc1NC(=O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414249300 532821235 /nfs/dbraw/zinc/82/12/35/532821235.db2.gz AKZQMNUBHIFBET-UHFFFAOYSA-N 2 2 380.290 2.285 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)CCn3cc[nH+]c3)[nH+]c12 ZINC000273247048 532821514 /nfs/dbraw/zinc/82/15/14/532821514.db2.gz GITLVFGJTZAJED-UHFFFAOYSA-N 2 2 376.258 2.351 20 0 GEADLP CCOc1c(Br)cc(Br)cc1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000415054707 532837472 /nfs/dbraw/zinc/83/74/72/532837472.db2.gz MBPOWLVJIFRNMP-LLVKDONJSA-N 2 2 396.123 2.362 20 0 GEADLP CCOc1c(Br)cc(Br)cc1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000415054707 532837473 /nfs/dbraw/zinc/83/74/73/532837473.db2.gz MBPOWLVJIFRNMP-LLVKDONJSA-N 2 2 396.123 2.362 20 0 GEADLP COc1cc(C[NH2+]C[C@H]2C[NH2+]CCO2)cc(Br)c1OC(F)F ZINC000415090677 532837685 /nfs/dbraw/zinc/83/76/85/532837685.db2.gz AZKUHLZRGIPBMT-SNVBAGLBSA-N 2 2 381.217 2.137 20 0 GEADLP FC(F)(F)CC[NH+]1CCC(Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000359993974 209211047 /nfs/dbraw/zinc/21/10/47/209211047.db2.gz AOWUVQVMNTZBQH-UHFFFAOYSA-N 2 2 375.439 2.044 20 0 GEADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)nc1 ZINC000289629646 532860849 /nfs/dbraw/zinc/86/08/49/532860849.db2.gz HFGWKVMGPWACPW-DZGCQCFKSA-N 2 2 383.334 2.437 20 0 GEADLP CN(C)c1cc(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)[nH+]cc1Br ZINC000333667321 532871360 /nfs/dbraw/zinc/87/13/60/532871360.db2.gz NCFUNBVVCMRYFO-BXUZGUMPSA-N 2 2 382.306 2.468 20 0 GEADLP CN(C)c1cc(NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)[nH+]cc1Br ZINC000333667321 532871362 /nfs/dbraw/zinc/87/13/62/532871362.db2.gz NCFUNBVVCMRYFO-BXUZGUMPSA-N 2 2 382.306 2.468 20 0 GEADLP Cc1cc[nH+]cc1CCC[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000290195198 532875188 /nfs/dbraw/zinc/87/51/88/532875188.db2.gz CMLRGMFYAQIHAJ-UHFFFAOYSA-N 2 2 379.448 2.474 20 0 GEADLP C[N@H+](CC(=O)NCc1ccc(Cl)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362254153 532895426 /nfs/dbraw/zinc/89/54/26/532895426.db2.gz GRWYNQUCWXXTOA-OAHLLOKOSA-N 2 2 384.977 2.118 20 0 GEADLP C[N@@H+](CC(=O)NCc1ccc(Cl)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362254153 532895428 /nfs/dbraw/zinc/89/54/28/532895428.db2.gz GRWYNQUCWXXTOA-OAHLLOKOSA-N 2 2 384.977 2.118 20 0 GEADLP CN(CC(=O)NCc1ccc(Cl)s1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362254153 532895432 /nfs/dbraw/zinc/89/54/32/532895432.db2.gz GRWYNQUCWXXTOA-OAHLLOKOSA-N 2 2 384.977 2.118 20 0 GEADLP CN(CC(=O)NCc1ccc(Cl)s1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362254153 532895435 /nfs/dbraw/zinc/89/54/35/532895435.db2.gz GRWYNQUCWXXTOA-OAHLLOKOSA-N 2 2 384.977 2.118 20 0 GEADLP CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000364204872 532904826 /nfs/dbraw/zinc/90/48/26/532904826.db2.gz CAEKJFYXEGLXBA-LBPRGKRZSA-N 2 2 398.349 2.194 20 0 GEADLP CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000364204872 532904829 /nfs/dbraw/zinc/90/48/29/532904829.db2.gz CAEKJFYXEGLXBA-LBPRGKRZSA-N 2 2 398.349 2.194 20 0 GEADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366497596 532918142 /nfs/dbraw/zinc/91/81/42/532918142.db2.gz NIMLNZGOGHUZSQ-GOSISDBHSA-N 2 2 380.330 2.435 20 0 GEADLP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366497596 532918144 /nfs/dbraw/zinc/91/81/44/532918144.db2.gz NIMLNZGOGHUZSQ-GOSISDBHSA-N 2 2 380.330 2.435 20 0 GEADLP CN(Cc1ccccc1Br)C(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366497596 532918145 /nfs/dbraw/zinc/91/81/45/532918145.db2.gz NIMLNZGOGHUZSQ-GOSISDBHSA-N 2 2 380.330 2.435 20 0 GEADLP CN(Cc1ccccc1Br)C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366497596 532918146 /nfs/dbraw/zinc/91/81/46/532918146.db2.gz NIMLNZGOGHUZSQ-GOSISDBHSA-N 2 2 380.330 2.435 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3ccc(F)c(Br)c3)C2)CC1 ZINC000369275222 532937820 /nfs/dbraw/zinc/93/78/20/532937820.db2.gz WNYWATBQLDOYTA-CQSZACIVSA-N 2 2 398.320 2.415 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3ccc(F)c(Br)c3)C2)CC1 ZINC000369275222 532937821 /nfs/dbraw/zinc/93/78/21/532937821.db2.gz WNYWATBQLDOYTA-CQSZACIVSA-N 2 2 398.320 2.415 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(F)ccc3Br)C2)CC1 ZINC000369279134 532937900 /nfs/dbraw/zinc/93/79/00/532937900.db2.gz VUHGHFJOIZKSQY-ZDUSSCGKSA-N 2 2 384.293 2.487 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc(F)ccc3Br)C2)CC1 ZINC000369279134 532937902 /nfs/dbraw/zinc/93/79/02/532937902.db2.gz VUHGHFJOIZKSQY-ZDUSSCGKSA-N 2 2 384.293 2.487 20 0 GEADLP COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000736900217 598862358 /nfs/dbraw/zinc/86/23/58/598862358.db2.gz DEDMDQZUJTWODC-SFHVURJKSA-N 2 2 386.500 2.133 20 0 GEADLP COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000736900217 598862360 /nfs/dbraw/zinc/86/23/60/598862360.db2.gz DEDMDQZUJTWODC-SFHVURJKSA-N 2 2 386.500 2.133 20 0 GEADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000736705546 598985105 /nfs/dbraw/zinc/98/51/05/598985105.db2.gz LCUVLVSOZGYMBA-INIZCTEOSA-N 2 2 397.483 2.350 20 0 GEADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCOc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000736705546 598985107 /nfs/dbraw/zinc/98/51/07/598985107.db2.gz LCUVLVSOZGYMBA-INIZCTEOSA-N 2 2 397.483 2.350 20 0 GEADLP c1ccc(NC[C@H]2CC[N@@H+](CCCOc3ccc(-c4nn[nH]n4)cc3)C2)[nH+]c1 ZINC000738436478 598763108 /nfs/dbraw/zinc/76/31/08/598763108.db2.gz RAZSUGGFRKMGAC-MRXNPFEDSA-N 2 2 379.468 2.465 20 0 GEADLP c1ccc(NC[C@H]2CC[N@H+](CCCOc3ccc(-c4nn[nH]n4)cc3)C2)[nH+]c1 ZINC000738436478 598763110 /nfs/dbraw/zinc/76/31/10/598763110.db2.gz RAZSUGGFRKMGAC-MRXNPFEDSA-N 2 2 379.468 2.465 20 0 GEADLP COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000826176037 607476981 /nfs/dbraw/zinc/47/69/81/607476981.db2.gz YIIJNSJTYUVCAS-WMZOPIPTSA-N 2 2 398.511 2.203 20 0 GEADLP COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000826176037 607476983 /nfs/dbraw/zinc/47/69/83/607476983.db2.gz YIIJNSJTYUVCAS-WMZOPIPTSA-N 2 2 398.511 2.203 20 0 GEADLP COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000826176037 607476984 /nfs/dbraw/zinc/47/69/84/607476984.db2.gz YIIJNSJTYUVCAS-WMZOPIPTSA-N 2 2 398.511 2.203 20 0 GEADLP COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000826176037 607476985 /nfs/dbraw/zinc/47/69/85/607476985.db2.gz YIIJNSJTYUVCAS-WMZOPIPTSA-N 2 2 398.511 2.203 20 0 GEADLP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)c2cccs2)CC1 ZINC000821627220 606404729 /nfs/dbraw/zinc/40/47/29/606404729.db2.gz RVPAEQNZIPWGQD-CQSZACIVSA-N 2 2 389.554 2.068 20 0 GEADLP FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000822731923 606750874 /nfs/dbraw/zinc/75/08/74/606750874.db2.gz DZGQTJZNAOMKGG-UHFFFAOYSA-N 2 2 387.394 2.185 20 0 GEADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)CC[C@@H]21 ZINC000821625374 607002668 /nfs/dbraw/zinc/00/26/68/607002668.db2.gz MCNWXGNPDBJPLA-MJGOQNOKSA-N 2 2 378.484 2.104 20 0 GEADLP C[N@H+]1CCC[C@@H]2C[NH+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)CC[C@@H]21 ZINC000821625374 607002670 /nfs/dbraw/zinc/00/26/70/607002670.db2.gz MCNWXGNPDBJPLA-MJGOQNOKSA-N 2 2 378.484 2.104 20 0 GEADLP C[NH+]1CCC[C@@H]2C[N@H+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)CC[C@@H]21 ZINC000821625374 607002672 /nfs/dbraw/zinc/00/26/72/607002672.db2.gz MCNWXGNPDBJPLA-MJGOQNOKSA-N 2 2 378.484 2.104 20 0 GEADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cn3ccc(-c4ccc(-c5nn[nH]n5)cc4)n3)CC[C@@H]21 ZINC000821625374 607002674 /nfs/dbraw/zinc/00/26/74/607002674.db2.gz MCNWXGNPDBJPLA-MJGOQNOKSA-N 2 2 378.484 2.104 20 0 GEADLP COc1cc(C)[nH+]c(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826178335 607940601 /nfs/dbraw/zinc/94/06/01/607940601.db2.gz TVKALBPGWZZRCR-UHFFFAOYSA-N 2 2 393.495 2.287 20 0 GEADLP COc1cc(C)[nH+]c(CN2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826178335 607940602 /nfs/dbraw/zinc/94/06/02/607940602.db2.gz TVKALBPGWZZRCR-UHFFFAOYSA-N 2 2 393.495 2.287 20 0 GEADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824991918 608281311 /nfs/dbraw/zinc/28/13/11/608281311.db2.gz IEQWHDFGEMMGMA-UZLBHIALSA-N 2 2 393.495 2.141 20 0 GEADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824991918 608281313 /nfs/dbraw/zinc/28/13/13/608281313.db2.gz IEQWHDFGEMMGMA-UZLBHIALSA-N 2 2 393.495 2.141 20 0 GEADLP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)c1 ZINC000826313722 608664175 /nfs/dbraw/zinc/66/41/75/608664175.db2.gz QZXCGZZKGZFDCG-OAHLLOKOSA-N 2 2 389.467 2.152 20 0 GEADLP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)c1 ZINC000826313722 608664176 /nfs/dbraw/zinc/66/41/76/608664176.db2.gz QZXCGZZKGZFDCG-OAHLLOKOSA-N 2 2 389.467 2.152 20 0 GEADLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824627493 609137501 /nfs/dbraw/zinc/13/75/01/609137501.db2.gz XYKQWNXVVFJLOB-CQSZACIVSA-N 2 2 396.474 2.003 20 0 GEADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824579467 609337420 /nfs/dbraw/zinc/33/74/20/609337420.db2.gz ZNBORXHKXZQDFS-QVKFZJNVSA-N 2 2 396.470 2.293 20 0 GEADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824579467 609337421 /nfs/dbraw/zinc/33/74/21/609337421.db2.gz ZNBORXHKXZQDFS-QVKFZJNVSA-N 2 2 396.470 2.293 20 0 GEADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824545581 609343476 /nfs/dbraw/zinc/34/34/76/609343476.db2.gz DDGIKPRZNMKKQR-FASAQXTFSA-N 2 2 388.491 2.424 20 0 GEADLP OCC[NH+]1CCN(CCCC[NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000449147127 650032942 /nfs/dbraw/zinc/03/29/42/650032942.db2.gz FLUARMHKIDMCQW-UHFFFAOYSA-N 2 2 388.325 2.068 20 0 GEADLP O=C(C[NH2+]C1CC[NH+](C2CC2)CC1)Nc1ccc(I)cc1 ZINC000459518854 650427113 /nfs/dbraw/zinc/42/71/13/650427113.db2.gz GSVMFLUEDGBKBE-UHFFFAOYSA-N 2 2 399.276 2.446 20 0 GEADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000514946184 650584201 /nfs/dbraw/zinc/58/42/01/650584201.db2.gz CLNMNMXJNDFZBI-HNNXBMFYSA-N 2 2 398.345 2.412 20 0 GEADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000514946184 650584206 /nfs/dbraw/zinc/58/42/06/650584206.db2.gz CLNMNMXJNDFZBI-HNNXBMFYSA-N 2 2 398.345 2.412 20 0 GEADLP CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000542321007 650890272 /nfs/dbraw/zinc/89/02/72/650890272.db2.gz VMPRXFXMOIQXCM-UHFFFAOYSA-N 2 2 376.507 2.474 20 0 GEADLP COC(=O)c1nn(C[N@H+](C)CCCn2cc[nH+]c2C)c(C)c1Br ZINC000162822958 644241967 /nfs/dbraw/zinc/24/19/67/644241967.db2.gz FPJPRDJXYQOQNI-UHFFFAOYSA-N 2 2 384.278 2.225 20 0 GEADLP COC(=O)c1nn(C[N@@H+](C)CCCn2cc[nH+]c2C)c(C)c1Br ZINC000162822958 644241974 /nfs/dbraw/zinc/24/19/74/644241974.db2.gz FPJPRDJXYQOQNI-UHFFFAOYSA-N 2 2 384.278 2.225 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000228201009 645395493 /nfs/dbraw/zinc/39/54/93/645395493.db2.gz YCWMUOOBNXXAPU-RYUDHWBXSA-N 2 2 387.265 2.207 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000228201009 645395506 /nfs/dbraw/zinc/39/55/06/645395506.db2.gz YCWMUOOBNXXAPU-RYUDHWBXSA-N 2 2 387.265 2.207 20 0 GEADLP Brc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c2ncccc12 ZINC000261837114 645604249 /nfs/dbraw/zinc/60/42/49/645604249.db2.gz ILMHXFAPYBWVGI-OAHLLOKOSA-N 2 2 375.314 2.477 20 0 GEADLP C[C@@]([NH3+])(C(=O)NCc1cn2c([nH+]1)CCCC2)c1ccc(Br)cc1 ZINC000261832859 645604347 /nfs/dbraw/zinc/60/43/47/645604347.db2.gz UGRIURAQVDAINL-KRWDZBQOSA-N 2 2 377.286 2.472 20 0 GEADLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280758750 646713732 /nfs/dbraw/zinc/71/37/32/646713732.db2.gz QMSAZLIQUFOZDC-WDEREUQCSA-N 2 2 378.336 2.087 20 0 GEADLP O[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)COc1ccc(Cl)cc1Cl ZINC000325859290 647303979 /nfs/dbraw/zinc/30/39/79/647303979.db2.gz XQDKFAKTGTVMHH-RBSFLKMASA-N 2 2 375.296 2.186 20 0 GEADLP O[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)COc1ccc(Cl)cc1Cl ZINC000325859290 647303984 /nfs/dbraw/zinc/30/39/84/647303984.db2.gz XQDKFAKTGTVMHH-RBSFLKMASA-N 2 2 375.296 2.186 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3CCC([NH3+])CC3)[nH+]c12 ZINC000418026549 648272150 /nfs/dbraw/zinc/27/21/50/648272150.db2.gz VZWKVDPZXACYGP-UHFFFAOYSA-N 2 2 380.290 2.080 20 0 GEADLP C[C@H](CC[NH3+])NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000418538679 648300939 /nfs/dbraw/zinc/30/09/39/648300939.db2.gz DXSVWBPFQIXZGE-GFCCVEGCSA-N 2 2 384.278 2.188 20 0 GEADLP COc1cc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc(Br)c1OC ZINC000422946861 648578410 /nfs/dbraw/zinc/57/84/10/648578410.db2.gz PMWWKQNXLLXKFI-HOTGVXAUSA-N 2 2 385.302 2.323 20 0 GEADLP COc1cc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc(Br)c1OC ZINC000422946862 648578533 /nfs/dbraw/zinc/57/85/33/648578533.db2.gz PMWWKQNXLLXKFI-HZPDHXFCSA-N 2 2 385.302 2.323 20 0 GEADLP Cn1ncc(Br)c1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000426156886 648705202 /nfs/dbraw/zinc/70/52/02/648705202.db2.gz NNCRLPGSEUPXOC-UHFFFAOYSA-N 2 2 384.366 2.032 20 0 GEADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000430555066 648763429 /nfs/dbraw/zinc/76/34/29/648763429.db2.gz HSQSMEQAZKCDOO-QGZVFWFLSA-N 2 2 386.334 2.249 20 0 GEADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC000430563603 648763516 /nfs/dbraw/zinc/76/35/16/648763516.db2.gz JLHQCQGMJZFOQF-NWDGAFQWSA-N 2 2 387.265 2.289 20 0 GEADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC000430563603 648763518 /nfs/dbraw/zinc/76/35/18/648763518.db2.gz JLHQCQGMJZFOQF-NWDGAFQWSA-N 2 2 387.265 2.289 20 0 GEADLP CN(CCOc1ccc(Br)cc1)C(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430575988 648764172 /nfs/dbraw/zinc/76/41/72/648764172.db2.gz WIKPVKSHAKWNTK-KRWDZBQOSA-N 2 2 384.318 2.003 20 0 GEADLP CN(CCOc1ccc(Br)cc1)C(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430575990 648764403 /nfs/dbraw/zinc/76/44/03/648764403.db2.gz WIKPVKSHAKWNTK-QGZVFWFLSA-N 2 2 384.318 2.003 20 0 GEADLP C[NH2+]CC1CC[NH+](CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000430926848 648770639 /nfs/dbraw/zinc/77/06/39/648770639.db2.gz OZSGQXSMFBMFMB-UHFFFAOYSA-N 2 2 375.332 2.154 20 0 GEADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000551819059 651133719 /nfs/dbraw/zinc/13/37/19/651133719.db2.gz YBBKOUAKRWMMQU-RISCZKNCSA-N 2 2 387.265 2.160 20 0 GEADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000551819059 651133722 /nfs/dbraw/zinc/13/37/22/651133722.db2.gz YBBKOUAKRWMMQU-RISCZKNCSA-N 2 2 387.265 2.160 20 0 GEADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C)C[C@H]3COCC[NH2+]3)nc12 ZINC000643480756 651488443 /nfs/dbraw/zinc/48/84/43/651488443.db2.gz BKMBAWGGIOKDOL-BBRMVZONSA-N 2 2 381.318 2.304 20 0 GEADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000568162155 651653285 /nfs/dbraw/zinc/65/32/85/651653285.db2.gz PEWYGQNXYBAGAY-ZFWWWQNUSA-N 2 2 384.318 2.098 20 0 GEADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000568162155 651653290 /nfs/dbraw/zinc/65/32/90/651653290.db2.gz PEWYGQNXYBAGAY-ZFWWWQNUSA-N 2 2 384.318 2.098 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)/C=C/c3ccc(Br)o3)C2)CC1 ZINC000732781755 651673793 /nfs/dbraw/zinc/67/37/93/651673793.db2.gz STVDDRFMOPDZHC-MASHWEEQSA-N 2 2 382.302 2.340 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)/C=C/c3ccc(Br)o3)C2)CC1 ZINC000732781755 651673798 /nfs/dbraw/zinc/67/37/98/651673798.db2.gz STVDDRFMOPDZHC-MASHWEEQSA-N 2 2 382.302 2.340 20 0 GEADLP Cc1nc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(Br)s1 ZINC000568880700 651686813 /nfs/dbraw/zinc/68/68/13/651686813.db2.gz MJFPIEASJISHFL-UHFFFAOYSA-N 2 2 389.363 2.312 20 0 GEADLP Cc1nc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(Br)s1 ZINC000568880700 651686822 /nfs/dbraw/zinc/68/68/22/651686822.db2.gz MJFPIEASJISHFL-UHFFFAOYSA-N 2 2 389.363 2.312 20 0 GEADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000570104565 651747440 /nfs/dbraw/zinc/74/74/40/651747440.db2.gz LWTPRJVMFNWBBN-CYBMUJFWSA-N 2 2 381.464 2.280 20 0 GEADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000570104565 651747444 /nfs/dbraw/zinc/74/74/44/651747444.db2.gz LWTPRJVMFNWBBN-CYBMUJFWSA-N 2 2 381.464 2.280 20 0 GEADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000647970500 651768108 /nfs/dbraw/zinc/76/81/08/651768108.db2.gz SZADZLINWBTFKU-OCCSQVGLSA-N 2 2 375.307 2.047 20 0 GEADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000647970500 651768112 /nfs/dbraw/zinc/76/81/12/651768112.db2.gz SZADZLINWBTFKU-OCCSQVGLSA-N 2 2 375.307 2.047 20 0 GEADLP CO[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccccc1Br ZINC000617763525 651970882 /nfs/dbraw/zinc/97/08/82/651970882.db2.gz TZELXLXDEIQYCU-INIZCTEOSA-N 2 2 386.334 2.136 20 0 GEADLP CO[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccccc1Br ZINC000617763525 651970890 /nfs/dbraw/zinc/97/08/90/651970890.db2.gz TZELXLXDEIQYCU-INIZCTEOSA-N 2 2 386.334 2.136 20 0 GEADLP CN(C)c1cc(Br)cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000617763209 651971068 /nfs/dbraw/zinc/97/10/68/651971068.db2.gz JILJBNMZVOZMMV-UHFFFAOYSA-N 2 2 385.350 2.128 20 0 GEADLP CN(C)c1cc(Br)cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617763209 651971073 /nfs/dbraw/zinc/97/10/73/651971073.db2.gz JILJBNMZVOZMMV-UHFFFAOYSA-N 2 2 385.350 2.128 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000617763107 651971107 /nfs/dbraw/zinc/97/11/07/651971107.db2.gz FKVCRXPLRGDTFA-QGZVFWFLSA-N 2 2 382.346 2.479 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000617763107 651971108 /nfs/dbraw/zinc/97/11/08/651971108.db2.gz FKVCRXPLRGDTFA-QGZVFWFLSA-N 2 2 382.346 2.479 20 0 GEADLP C[C@H](Oc1cccc(Br)c1)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617766167 651971797 /nfs/dbraw/zinc/97/17/97/651971797.db2.gz AGZMJWRVYRBQQZ-AWEZNQCLSA-N 2 2 386.334 2.216 20 0 GEADLP C[C@H](Oc1cccc(Br)c1)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617766167 651971803 /nfs/dbraw/zinc/97/18/03/651971803.db2.gz AGZMJWRVYRBQQZ-AWEZNQCLSA-N 2 2 386.334 2.216 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(Br)c(F)cc1F ZINC000617764884 651971925 /nfs/dbraw/zinc/97/19/25/651971925.db2.gz KFLQNXZKBOIVRI-UHFFFAOYSA-N 2 2 378.261 2.341 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(Br)c(F)cc1F ZINC000617764884 651971929 /nfs/dbraw/zinc/97/19/29/651971929.db2.gz KFLQNXZKBOIVRI-UHFFFAOYSA-N 2 2 378.261 2.341 20 0 GEADLP C[N@@H+]1CC[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000655928337 652013119 /nfs/dbraw/zinc/01/31/19/652013119.db2.gz LUQFWUFQWBMXEQ-AVGNSLFASA-N 2 2 382.789 2.413 20 0 GEADLP C[N@H+]1CC[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000655928337 652013122 /nfs/dbraw/zinc/01/31/22/652013122.db2.gz LUQFWUFQWBMXEQ-AVGNSLFASA-N 2 2 382.789 2.413 20 0 GEADLP Brc1c[nH+]c(NCc2cccc3[nH+]ccn32)cc1N1CCOCC1 ZINC000574997990 652057236 /nfs/dbraw/zinc/05/72/36/652057236.db2.gz QVVQHTDZHJICME-UHFFFAOYSA-N 2 2 388.269 2.941 20 0 GEADLP C[NH+](C)[C@@H](CNC(=S)NCCC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000747657838 652173648 /nfs/dbraw/zinc/17/36/48/652173648.db2.gz AFWNGKDMKKESBN-KRWDZBQOSA-N 2 2 384.977 2.129 20 0 GEADLP C[C@@H]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CS1(=O)=O ZINC000657636769 652182820 /nfs/dbraw/zinc/18/28/20/652182820.db2.gz IQKFHTAMGJRXIV-HUUCEWRRSA-N 2 2 385.961 2.147 20 0 GEADLP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624085306 652269450 /nfs/dbraw/zinc/26/94/50/652269450.db2.gz MEUFHXMHVLXUOC-WBMJQRKESA-N 2 2 386.309 2.449 20 0 GEADLP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624085306 652269458 /nfs/dbraw/zinc/26/94/58/652269458.db2.gz MEUFHXMHVLXUOC-WBMJQRKESA-N 2 2 386.309 2.449 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000658427473 652270517 /nfs/dbraw/zinc/27/05/17/652270517.db2.gz DXLXRUPOVWOPKM-UHFFFAOYSA-N 2 2 393.290 2.071 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000658427473 652270524 /nfs/dbraw/zinc/27/05/24/652270524.db2.gz DXLXRUPOVWOPKM-UHFFFAOYSA-N 2 2 393.290 2.071 20 0 GEADLP CSc1cc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1Cl ZINC000658429126 652270988 /nfs/dbraw/zinc/27/09/88/652270988.db2.gz SEJOOAICLOMCOH-UHFFFAOYSA-N 2 2 386.949 2.000 20 0 GEADLP CSc1cc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1Cl ZINC000658429126 652270995 /nfs/dbraw/zinc/27/09/95/652270995.db2.gz SEJOOAICLOMCOH-UHFFFAOYSA-N 2 2 386.949 2.000 20 0 GEADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC000581315787 652410517 /nfs/dbraw/zinc/41/05/17/652410517.db2.gz RVXWVGFJKIARDZ-SNVBAGLBSA-N 2 2 376.245 2.014 20 0 GEADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2F)C1 ZINC000581315787 652410525 /nfs/dbraw/zinc/41/05/25/652410525.db2.gz RVXWVGFJKIARDZ-SNVBAGLBSA-N 2 2 376.245 2.014 20 0 GEADLP O=C(c1cccc(Cl)c1Cl)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662251125 652454271 /nfs/dbraw/zinc/45/42/71/652454271.db2.gz ZKTBXOSNRGNBIP-ZDUSSCGKSA-N 2 2 384.307 2.272 20 0 GEADLP [NH3+][C@@H]1CN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC[C@H]1F ZINC000662750623 652473315 /nfs/dbraw/zinc/47/33/15/652473315.db2.gz VHKFPUXIADNEAN-OAGGEKHMSA-N 2 2 384.293 2.484 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CCC[NH2+]CC3)[nH+]c12 ZINC000669559052 652705470 /nfs/dbraw/zinc/70/54/70/652705470.db2.gz YXOXOOKQQIATOY-CQSZACIVSA-N 2 2 394.317 2.389 20 0 GEADLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000639766493 652952632 /nfs/dbraw/zinc/95/26/32/652952632.db2.gz PZZMYSVVUJKEBH-WMLDXEAASA-N 2 2 377.312 2.122 20 0 GEADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000639766493 652952635 /nfs/dbraw/zinc/95/26/35/652952635.db2.gz PZZMYSVVUJKEBH-WMLDXEAASA-N 2 2 377.312 2.122 20 0 GEADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCS(=O)(=O)CC2CC2)CC1 ZINC000770738714 653223351 /nfs/dbraw/zinc/22/33/51/653223351.db2.gz XPIMAQPUAZMTII-UHFFFAOYSA-N 2 2 385.961 2.006 20 0 GEADLP C[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cncc(Br)c1 ZINC000641785824 653233988 /nfs/dbraw/zinc/23/39/88/653233988.db2.gz LKRFHTVEJKMFFQ-QAPCUYQASA-N 2 2 397.361 2.291 20 0 GEADLP C[NH+](C)CCN1CCC(C[NH2+]Cc2nc3ccccn3c2Br)CC1 ZINC000809616325 653284804 /nfs/dbraw/zinc/28/48/04/653284804.db2.gz NSKQPHKZUWMDFL-UHFFFAOYSA-N 2 2 394.361 2.460 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3csc(Br)n3)CC2)CC1 ZINC000874256785 653295966 /nfs/dbraw/zinc/29/59/66/653295966.db2.gz NOWJSRJCTOTBSR-UHFFFAOYSA-N 2 2 387.347 2.194 20 0 GEADLP Brc1c(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)nc2ccccn21 ZINC000841086698 653706154 /nfs/dbraw/zinc/70/61/54/653706154.db2.gz DLCLIDVULUPVEC-UHFFFAOYSA-N 2 2 392.345 2.403 20 0 GEADLP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817576951 653714861 /nfs/dbraw/zinc/71/48/61/653714861.db2.gz AYBYGXJTNPJSNI-CQSZACIVSA-N 2 2 387.347 2.110 20 0 GEADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000866710689 653813718 /nfs/dbraw/zinc/81/37/18/653813718.db2.gz SXAYPFPSXFVQFL-QLFBSQMISA-N 2 2 376.507 2.239 20 0 GEADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000866710689 653813720 /nfs/dbraw/zinc/81/37/20/653813720.db2.gz SXAYPFPSXFVQFL-QLFBSQMISA-N 2 2 376.507 2.239 20 0 GEADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000846226960 653891785 /nfs/dbraw/zinc/89/17/85/653891785.db2.gz FMLAWLMMBROLMC-BPQIPLTHSA-N 2 2 386.945 2.475 20 0 GEADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000846226960 653891790 /nfs/dbraw/zinc/89/17/90/653891790.db2.gz FMLAWLMMBROLMC-BPQIPLTHSA-N 2 2 386.945 2.475 20 0 GEADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000846778744 653910348 /nfs/dbraw/zinc/91/03/48/653910348.db2.gz JXNWTAXOPPSVJD-ROUUACIJSA-N 2 2 385.346 2.395 20 0 GEADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000846778744 653910355 /nfs/dbraw/zinc/91/03/55/653910355.db2.gz JXNWTAXOPPSVJD-ROUUACIJSA-N 2 2 385.346 2.395 20 0 GEADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000846778744 653910357 /nfs/dbraw/zinc/91/03/57/653910357.db2.gz JXNWTAXOPPSVJD-ROUUACIJSA-N 2 2 385.346 2.395 20 0 GEADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000846778744 653910360 /nfs/dbraw/zinc/91/03/60/653910360.db2.gz JXNWTAXOPPSVJD-ROUUACIJSA-N 2 2 385.346 2.395 20 0 GEADLP O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)c1Cl ZINC000898367082 653965035 /nfs/dbraw/zinc/96/50/35/653965035.db2.gz LGJMKLZQJHQBKJ-LLVKDONJSA-N 2 2 376.873 2.451 20 0 GEADLP C[C@H](CNC(=O)[C@@H]([NH3+])c1cccc(Br)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000867984230 654013137 /nfs/dbraw/zinc/01/31/37/654013137.db2.gz VNHXJOZRCWHNRE-FOCJUVANSA-N 2 2 384.318 2.063 20 0 GEADLP C[C@H](CNC(=O)[C@@H]([NH3+])c1cccc(Br)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000867984230 654013143 /nfs/dbraw/zinc/01/31/43/654013143.db2.gz VNHXJOZRCWHNRE-FOCJUVANSA-N 2 2 384.318 2.063 20 0 GEADLP C[NH+]1CCC(CNC(=O)NCCC2SCCS2)([NH+]2CCCCC2)CC1 ZINC000852677330 654254400 /nfs/dbraw/zinc/25/44/00/654254400.db2.gz LPKLLCNNPIINLF-UHFFFAOYSA-N 2 2 386.631 2.432 20 0 GEADLP Brc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(N2CCOCC2)c1 ZINC000904420355 654310154 /nfs/dbraw/zinc/31/01/54/654310154.db2.gz LQHPLGDBUZASBZ-GOEBONIOSA-N 2 2 380.330 2.327 20 0 GEADLP Brc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(N2CCOCC2)c1 ZINC000904420355 654310161 /nfs/dbraw/zinc/31/01/61/654310161.db2.gz LQHPLGDBUZASBZ-GOEBONIOSA-N 2 2 380.330 2.327 20 0 GEADLP CCN(C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1)[C@H]1CC[NH2+]C1 ZINC000891782363 654311549 /nfs/dbraw/zinc/31/15/49/654311549.db2.gz GSXSIKQJYZKBIW-HNNXBMFYSA-N 2 2 394.317 2.341 20 0 GEADLP O[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)COc1cc(Cl)cc(Cl)c1 ZINC000872199554 654316637 /nfs/dbraw/zinc/31/66/37/654316637.db2.gz PYMMKDXBEWCKGX-INMHGKMJSA-N 2 2 375.296 2.186 20 0 GEADLP O[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)COc1cc(Cl)cc(Cl)c1 ZINC000872199554 654316640 /nfs/dbraw/zinc/31/66/40/654316640.db2.gz PYMMKDXBEWCKGX-INMHGKMJSA-N 2 2 375.296 2.186 20 0 GEADLP O[C@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000905121692 654333186 /nfs/dbraw/zinc/33/31/86/654333186.db2.gz FQXMBEGYUSYBNS-MAUKXSAKSA-N 2 2 388.339 2.023 20 0 GEADLP C[N@H+]1CC[C@@H]1CNC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000922916961 654419928 /nfs/dbraw/zinc/41/99/28/654419928.db2.gz STRLPVGQJXYIAN-QGZVFWFLSA-N 2 2 395.345 2.417 20 0 GEADLP COC(=O)c1cc(Br)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000923332334 654444950 /nfs/dbraw/zinc/44/49/50/654444950.db2.gz LEZGVLKORDFYKF-XEGUGMAKSA-N 2 2 383.286 2.413 20 0 GEADLP COC(=O)c1cc(Br)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000923332334 654444953 /nfs/dbraw/zinc/44/49/53/654444953.db2.gz LEZGVLKORDFYKF-XEGUGMAKSA-N 2 2 383.286 2.413 20 0 GEADLP COCC[NH2+]C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000923387255 654448482 /nfs/dbraw/zinc/44/84/82/654448482.db2.gz HWGZIWUQTQSISA-OAHLLOKOSA-N 2 2 377.312 2.434 20 0 GEADLP C[N@@H+]1CC[C@@H]1CNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000925424789 654544397 /nfs/dbraw/zinc/54/43/97/654544397.db2.gz ZQUKWMHZOWRTTB-CYBMUJFWSA-N 2 2 396.289 2.155 20 0 GEADLP C[N@H+]1CC[C@@H]1CNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000925424789 654544399 /nfs/dbraw/zinc/54/43/99/654544399.db2.gz ZQUKWMHZOWRTTB-CYBMUJFWSA-N 2 2 396.289 2.155 20 0 GEADLP O=S(=O)(c1ccc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)s1)N1CCCCC1 ZINC000925524821 654545836 /nfs/dbraw/zinc/54/58/36/654545836.db2.gz ZYJHVVYEGJPQBY-MRXNPFEDSA-N 2 2 383.583 2.339 20 0 GEADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccc(Br)c(C3CC3)n2)CC1 ZINC000926124483 654559791 /nfs/dbraw/zinc/55/97/91/654559791.db2.gz BUXUXDHVIFWHIY-UHFFFAOYSA-N 2 2 382.306 2.266 20 0 GEADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@](O)(c2ccc(Br)cc2)C1)C1CC1 ZINC000932819437 654792170 /nfs/dbraw/zinc/79/21/70/654792170.db2.gz WZQMNWNRVBPPEH-MSOLQXFVSA-N 2 2 383.330 2.188 20 0 GEADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@](O)(c2ccc(Br)cc2)C1)C1CC1 ZINC000932819437 654792172 /nfs/dbraw/zinc/79/21/72/654792172.db2.gz WZQMNWNRVBPPEH-MSOLQXFVSA-N 2 2 383.330 2.188 20 0 GEADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1)C1CC1 ZINC000932819437 654792175 /nfs/dbraw/zinc/79/21/75/654792175.db2.gz WZQMNWNRVBPPEH-MSOLQXFVSA-N 2 2 383.330 2.188 20 0 GEADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1)C1CC1 ZINC000932819437 654792177 /nfs/dbraw/zinc/79/21/77/654792177.db2.gz WZQMNWNRVBPPEH-MSOLQXFVSA-N 2 2 383.330 2.188 20 0 GEADLP CC[NH+](CC)[C@@H](CNC(=S)NCCC[NH+]1CCOCC1)c1ccsc1 ZINC000915126490 654863500 /nfs/dbraw/zinc/86/35/00/654863500.db2.gz GKUXCNBKQGLSQH-KRWDZBQOSA-N 2 2 384.615 2.317 20 0 GEADLP COCCN1CC[N@H+](C)C2(CCN(c3[nH+]c(C)cc4ccccc43)CC2)C1=O ZINC001164637869 719277121 /nfs/dbraw/zinc/27/71/21/719277121.db2.gz AIHRPTWXZBWCHN-UHFFFAOYSA-N 2 2 382.508 2.303 20 0 GEADLP COCCN1CC[N@@H+](C)C2(CCN(c3[nH+]c(C)cc4ccccc43)CC2)C1=O ZINC001164637869 719277125 /nfs/dbraw/zinc/27/71/25/719277125.db2.gz AIHRPTWXZBWCHN-UHFFFAOYSA-N 2 2 382.508 2.303 20 0 GEADLP CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001164649072 719308517 /nfs/dbraw/zinc/30/85/17/719308517.db2.gz TWFJRRJTRIVIIX-UHFFFAOYSA-N 2 2 389.935 2.177 20 0 GEADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(Cl)c(N)[nH+]2)CC1 ZINC001164830297 720353496 /nfs/dbraw/zinc/35/34/96/720353496.db2.gz VTQFWGXHAKHFMQ-JKSUJKDBSA-N 2 2 377.920 2.229 20 0 GEADLP COc1ccc2c(cc[nH+]c2N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164742254 720652793 /nfs/dbraw/zinc/65/27/93/720652793.db2.gz MFVJLLSRFNUOHD-WMZOPIPTSA-N 2 2 377.448 2.375 20 0 GEADLP COc1ccc2c(cc[nH+]c2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164742254 720652804 /nfs/dbraw/zinc/65/28/04/720652804.db2.gz MFVJLLSRFNUOHD-WMZOPIPTSA-N 2 2 377.448 2.375 20 0 GEADLP C[NH+]1CCN(c2cccc(N3Cc4cncn4C[C@@H](COCC4CC4)C3)[nH+]2)CC1 ZINC001164756145 720977826 /nfs/dbraw/zinc/97/78/26/720977826.db2.gz FVBXHHQJQQIGGZ-IBGZPJMESA-N 2 2 396.539 2.093 20 0 GEADLP Cc1c[nH+]c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1NCC1CC1 ZINC001164761655 721069755 /nfs/dbraw/zinc/06/97/55/721069755.db2.gz CKDZGYKPFTZINJ-RBUKOAKNSA-N 2 2 381.528 2.299 20 0 GEADLP Cc1c[nH+]c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1NCC1CC1 ZINC001164761655 721069760 /nfs/dbraw/zinc/06/97/60/721069760.db2.gz CKDZGYKPFTZINJ-RBUKOAKNSA-N 2 2 381.528 2.299 20 0 GEADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(N5CCCCC5)cc[nH+]4)C[C@@H]3C2)cn1 ZINC001164764198 721161802 /nfs/dbraw/zinc/16/18/02/721161802.db2.gz HKCPOKBHECNENR-OALUTQOASA-N 2 2 381.528 2.159 20 0 GEADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(N5CCCCC5)cc[nH+]4)C[C@@H]3C2)cn1 ZINC001164764198 721161807 /nfs/dbraw/zinc/16/18/07/721161807.db2.gz HKCPOKBHECNENR-OALUTQOASA-N 2 2 381.528 2.159 20 0 GEADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)C[C@H]3C2)cn1 ZINC001164761348 721192008 /nfs/dbraw/zinc/19/20/08/721192008.db2.gz AUMYVJAHVJBXRD-RBUKOAKNSA-N 2 2 381.528 2.159 20 0 GEADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)C[C@H]3C2)cn1 ZINC001164761348 721192015 /nfs/dbraw/zinc/19/20/15/721192015.db2.gz AUMYVJAHVJBXRD-RBUKOAKNSA-N 2 2 381.528 2.159 20 0 GEADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c12 ZINC001164782155 721399331 /nfs/dbraw/zinc/39/93/31/721399331.db2.gz DSYURTRBZYWTKR-CHWSQXEVSA-N 2 2 398.492 2.159 20 0 GEADLP CCN(C)c1cc[nH+]c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164985162 722099049 /nfs/dbraw/zinc/09/90/49/722099049.db2.gz VDRQQTNRDGOIEK-OALUTQOASA-N 2 2 382.512 2.055 20 0 GEADLP CCN(C)c1cc[nH+]c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164985162 722099050 /nfs/dbraw/zinc/09/90/50/722099050.db2.gz VDRQQTNRDGOIEK-OALUTQOASA-N 2 2 382.512 2.055 20 0 GEADLP CCN(CC)c1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc[nH+]1 ZINC001164976050 722130684 /nfs/dbraw/zinc/13/06/84/722130684.db2.gz GTVAMMAYJKYSLH-WOJBJXKFSA-N 2 2 396.539 2.445 20 0 GEADLP CCN(CC)c1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc[nH+]1 ZINC001164976050 722130687 /nfs/dbraw/zinc/13/06/87/722130687.db2.gz GTVAMMAYJKYSLH-WOJBJXKFSA-N 2 2 396.539 2.445 20 0 GEADLP Cc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c2c([nH+]1)CCC2 ZINC001164982609 722135195 /nfs/dbraw/zinc/13/51/95/722135195.db2.gz RRUSWKLRVNEXDM-WIYYLYMNSA-N 2 2 379.508 2.396 20 0 GEADLP Cc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c2c([nH+]1)CCC2 ZINC001164982609 722135198 /nfs/dbraw/zinc/13/51/98/722135198.db2.gz RRUSWKLRVNEXDM-WIYYLYMNSA-N 2 2 379.508 2.396 20 0 GEADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2cc(Br)ccc2F)CC1 ZINC000153823747 531609904 /nfs/dbraw/zinc/60/99/04/531609904.db2.gz WNUYNMCFHIJZMD-UHFFFAOYSA-N 2 2 386.309 2.273 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)COc1ccc(Br)cc1 ZINC000047676054 531719474 /nfs/dbraw/zinc/71/94/74/531719474.db2.gz NPWWIVDAFHEPEN-UHFFFAOYSA-N 2 2 398.345 2.312 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)COc1ccc(Br)cc1 ZINC000047676054 531719481 /nfs/dbraw/zinc/71/94/81/531719481.db2.gz NPWWIVDAFHEPEN-UHFFFAOYSA-N 2 2 398.345 2.312 20 0 GEADLP C[N@H+](Cc1ccc(Br)o1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000130694763 532193608 /nfs/dbraw/zinc/19/36/08/532193608.db2.gz WDAIKVOYLQCIMH-UHFFFAOYSA-N 2 2 380.290 2.216 20 0 GEADLP C[N@@H+](Cc1ccc(Br)o1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000130694763 532193613 /nfs/dbraw/zinc/19/36/13/532193613.db2.gz WDAIKVOYLQCIMH-UHFFFAOYSA-N 2 2 380.290 2.216 20 0 GEADLP C[C@H](Cn1cc(Br)cn1)Nc1ccc(N2CC[NH+](C)CC2)c[nH+]1 ZINC000130011751 532187822 /nfs/dbraw/zinc/18/78/22/532187822.db2.gz VIZWBTJFCXYNIF-CYBMUJFWSA-N 2 2 379.306 2.293 20 0 GEADLP Cc1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(Br)n1 ZINC000134181403 532252001 /nfs/dbraw/zinc/25/20/01/532252001.db2.gz WVMISDXROZDXHG-UHFFFAOYSA-N 2 2 383.334 2.251 20 0 GEADLP Cc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(Br)n1 ZINC000134181403 532252008 /nfs/dbraw/zinc/25/20/08/532252008.db2.gz WVMISDXROZDXHG-UHFFFAOYSA-N 2 2 383.334 2.251 20 0 GEADLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1Br ZINC000181034671 532288722 /nfs/dbraw/zinc/28/87/22/532288722.db2.gz VVXSMFKIMZPZIM-CABCVRRESA-N 2 2 396.329 2.033 20 0 GEADLP CCS(=O)(=O)N1CC(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000190679645 532357485 /nfs/dbraw/zinc/35/74/85/532357485.db2.gz VLSLXFPWUDOSNR-UHFFFAOYSA-N 2 2 385.961 2.176 20 0 GEADLP CN([C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCCCF ZINC000557432928 532363874 /nfs/dbraw/zinc/36/38/74/532363874.db2.gz VMXVIBAUQGHKAT-QZTJIDSGSA-N 2 2 377.570 2.335 20 0 GEADLP CN([C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCCCF ZINC000557432928 532363883 /nfs/dbraw/zinc/36/38/83/532363883.db2.gz VMXVIBAUQGHKAT-QZTJIDSGSA-N 2 2 377.570 2.335 20 0 GEADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000677695490 532381078 /nfs/dbraw/zinc/38/10/78/532381078.db2.gz UEPUIAHZNVXPFL-ZDUSSCGKSA-N 2 2 385.295 2.289 20 0 GEADLP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000558102093 532384675 /nfs/dbraw/zinc/38/46/75/532384675.db2.gz ZINHZTVFULUVHS-LRDDRELGSA-N 2 2 386.309 2.449 20 0 GEADLP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000558102093 532384682 /nfs/dbraw/zinc/38/46/82/532384682.db2.gz ZINHZTVFULUVHS-LRDDRELGSA-N 2 2 386.309 2.449 20 0 GEADLP O=S(=O)(CC[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(Br)c1 ZINC000517129626 532406780 /nfs/dbraw/zinc/40/67/80/532406780.db2.gz FMIMEGSJARJMDG-GFCCVEGCSA-N 2 2 384.299 2.093 20 0 GEADLP O=S(=O)(CC[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc(Br)c1 ZINC000517129626 532406782 /nfs/dbraw/zinc/40/67/82/532406782.db2.gz FMIMEGSJARJMDG-GFCCVEGCSA-N 2 2 384.299 2.093 20 0 GEADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2nscc2Br)CC1 ZINC000649641505 532419475 /nfs/dbraw/zinc/41/94/75/532419475.db2.gz SQANVOJZIYTVFY-UHFFFAOYSA-N 2 2 382.287 2.305 20 0 GEADLP Cc1ccc(Br)nc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373728640 532465699 /nfs/dbraw/zinc/46/56/99/532465699.db2.gz OVCBANJCKVNCSP-ZDUSSCGKSA-N 2 2 381.318 2.051 20 0 GEADLP Cc1ccc(Br)nc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373728640 532465706 /nfs/dbraw/zinc/46/57/06/532465706.db2.gz OVCBANJCKVNCSP-ZDUSSCGKSA-N 2 2 381.318 2.051 20 0 GEADLP C[N@H+](CC(=O)NC[C@H]1CSCC[NH+]1Cc1ccccc1)[C@H]1CCSC1 ZINC000429049889 532470086 /nfs/dbraw/zinc/47/00/86/532470086.db2.gz XFCLLEFPJAGSND-ROUUACIJSA-N 2 2 379.595 2.158 20 0 GEADLP C[N@@H+](CC(=O)NC[C@H]1CSCC[NH+]1Cc1ccccc1)[C@H]1CCSC1 ZINC000429049889 532470097 /nfs/dbraw/zinc/47/00/97/532470097.db2.gz XFCLLEFPJAGSND-ROUUACIJSA-N 2 2 379.595 2.158 20 0 GEADLP C[NH+](CC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)[C@H]1CCSC1 ZINC000429049889 532470101 /nfs/dbraw/zinc/47/01/01/532470101.db2.gz XFCLLEFPJAGSND-ROUUACIJSA-N 2 2 379.595 2.158 20 0 GEADLP C[NH+](CC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)[C@H]1CCSC1 ZINC000429049889 532470108 /nfs/dbraw/zinc/47/01/08/532470108.db2.gz XFCLLEFPJAGSND-ROUUACIJSA-N 2 2 379.595 2.158 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651524899 532472176 /nfs/dbraw/zinc/47/21/76/532472176.db2.gz MMVPZOWIYKAGMG-UHFFFAOYSA-N 2 2 377.913 2.126 20 0 GEADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2c3cccc(Br)c3CC2(C)C)CC1 ZINC000429377764 532474386 /nfs/dbraw/zinc/47/43/86/532474386.db2.gz NWRMFECKOGMONG-QGZVFWFLSA-N 2 2 380.330 2.436 20 0 GEADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000653646080 532538600 /nfs/dbraw/zinc/53/86/00/532538600.db2.gz QZDUERBLHAWHBF-UHFFFAOYSA-N 2 2 382.295 2.497 20 0 GEADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595021041 532540779 /nfs/dbraw/zinc/54/07/79/532540779.db2.gz WMZNDYUDFDYSKC-ZBFHGGJFSA-N 2 2 385.293 2.114 20 0 GEADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595021041 532540783 /nfs/dbraw/zinc/54/07/83/532540783.db2.gz WMZNDYUDFDYSKC-ZBFHGGJFSA-N 2 2 385.293 2.114 20 0 GEADLP Cc1cc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)n(-c2cccc(Br)c2)n1 ZINC000653071578 532528704 /nfs/dbraw/zinc/52/87/04/532528704.db2.gz LKRDBLIWONAWLY-AWEZNQCLSA-N 2 2 380.290 2.161 20 0 GEADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000653072418 532529146 /nfs/dbraw/zinc/52/91/46/532529146.db2.gz QVODZCZIFWENJL-CABCVRRESA-N 2 2 387.311 2.202 20 0 GEADLP O=S(=O)(N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000631253776 532551051 /nfs/dbraw/zinc/55/10/51/532551051.db2.gz JXMZAXDIDDCSSD-IAGOWNOFSA-N 2 2 380.539 2.416 20 0 GEADLP O[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2C[NH+]2CCC[C@H](O)C2)C1 ZINC000249292485 532563578 /nfs/dbraw/zinc/56/35/78/532563578.db2.gz JHXYXUXJOGCSHU-MSOLQXFVSA-N 2 2 383.330 2.363 20 0 GEADLP O[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2C[NH+]2CCC[C@H](O)C2)C1 ZINC000249292485 532563579 /nfs/dbraw/zinc/56/35/79/532563579.db2.gz JHXYXUXJOGCSHU-MSOLQXFVSA-N 2 2 383.330 2.363 20 0 GEADLP O[C@@H]1CCC[NH+](Cc2ccc(Br)cc2C[N@@H+]2CCC[C@H](O)C2)C1 ZINC000249292485 532563580 /nfs/dbraw/zinc/56/35/80/532563580.db2.gz JHXYXUXJOGCSHU-MSOLQXFVSA-N 2 2 383.330 2.363 20 0 GEADLP O[C@@H]1CCC[NH+](Cc2ccc(Br)cc2C[N@H+]2CCC[C@H](O)C2)C1 ZINC000249292485 532563582 /nfs/dbraw/zinc/56/35/82/532563582.db2.gz JHXYXUXJOGCSHU-MSOLQXFVSA-N 2 2 383.330 2.363 20 0 GEADLP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1ncc(Br)s1 ZINC000375502298 532563618 /nfs/dbraw/zinc/56/36/18/532563618.db2.gz KLTDVAOILVRIHU-IGJMFERPSA-N 2 2 384.303 2.310 20 0 GEADLP CN(C(=O)c1scnc1C(F)(F)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654773564 532566854 /nfs/dbraw/zinc/56/68/54/532566854.db2.gz BJKSUPLFPYMBLB-GFCCVEGCSA-N 2 2 376.448 2.402 20 0 GEADLP CN(C(=O)c1scnc1C(F)(F)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654773564 532566859 /nfs/dbraw/zinc/56/68/59/532566859.db2.gz BJKSUPLFPYMBLB-GFCCVEGCSA-N 2 2 376.448 2.402 20 0 GEADLP C[C@]1(C[NH+]2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)CC[NH2+]C1 ZINC000262032294 532582630 /nfs/dbraw/zinc/58/26/30/532582630.db2.gz OEMUSYCLCFGFSC-SFHVURJKSA-N 2 2 395.345 2.005 20 0 GEADLP [NH3+]CCC1CC[NH+](CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000565897430 532582652 /nfs/dbraw/zinc/58/26/52/532582652.db2.gz HOUWQGIHQIJBKW-UHFFFAOYSA-N 2 2 375.332 2.284 20 0 GEADLP CC[C@H]1C[N@H+](CC(=O)Nc2cccc(I)c2)CC[C@H]1[NH3+] ZINC000251602789 532572038 /nfs/dbraw/zinc/57/20/38/532572038.db2.gz DECCFBZKOXJYCQ-SMDDNHRTSA-N 2 2 387.265 2.289 20 0 GEADLP CC[C@H]1C[N@@H+](CC(=O)Nc2cccc(I)c2)CC[C@H]1[NH3+] ZINC000251602789 532572041 /nfs/dbraw/zinc/57/20/41/532572041.db2.gz DECCFBZKOXJYCQ-SMDDNHRTSA-N 2 2 387.265 2.289 20 0 GEADLP Brc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(N2CCOCC2)c1 ZINC000261998173 532580801 /nfs/dbraw/zinc/58/08/01/532580801.db2.gz LARICMDEGWTOGP-GOSISDBHSA-N 2 2 380.330 2.471 20 0 GEADLP Brc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(N2CCOCC2)c1 ZINC000261998173 532580810 /nfs/dbraw/zinc/58/08/10/532580810.db2.gz LARICMDEGWTOGP-GOSISDBHSA-N 2 2 380.330 2.471 20 0 GEADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000435380748 532614781 /nfs/dbraw/zinc/61/47/81/532614781.db2.gz PQAXXRCRDGGEMQ-CYBMUJFWSA-N 2 2 385.302 2.480 20 0 GEADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000435380748 532614785 /nfs/dbraw/zinc/61/47/85/532614785.db2.gz PQAXXRCRDGGEMQ-CYBMUJFWSA-N 2 2 385.302 2.480 20 0 GEADLP C[NH+](C)CC(=O)N1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000297739229 532607561 /nfs/dbraw/zinc/60/75/61/532607561.db2.gz CXXLFWNUDAFZLQ-UHFFFAOYSA-N 2 2 387.311 2.028 20 0 GEADLP COC(=O)[C@@]1([NH2+]CCn2cc[nH+]c2)CCc2cc(Br)ccc2C1 ZINC000599593664 532667657 /nfs/dbraw/zinc/66/76/57/532667657.db2.gz GUNGKNARKCSZCW-QGZVFWFLSA-N 2 2 378.270 2.336 20 0 GEADLP O[C@@H](C[NH2+]Cc1cc(Cl)cc(I)c1)C[NH+]1CCCC1 ZINC000600739832 532681423 /nfs/dbraw/zinc/68/14/23/532681423.db2.gz SWIGKHUJWQIUOS-AWEZNQCLSA-N 2 2 394.684 2.491 20 0 GEADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000569200028 532692722 /nfs/dbraw/zinc/69/27/22/532692722.db2.gz NYNSNGNKVZSNQF-KRWDZBQOSA-N 2 2 379.302 2.411 20 0 GEADLP COc1ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1Br ZINC000666064812 532695887 /nfs/dbraw/zinc/69/58/87/532695887.db2.gz WBMHQLCABXZWNX-UHFFFAOYSA-N 2 2 387.322 2.463 20 0 GEADLP COc1ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1Br ZINC000666064812 532695893 /nfs/dbraw/zinc/69/58/93/532695893.db2.gz WBMHQLCABXZWNX-UHFFFAOYSA-N 2 2 387.322 2.463 20 0 GEADLP O=C1[C@H]([NH+]2CCN(c3[nH]cc[nH+]3)CC2)CCN1c1cccc(Br)c1 ZINC000575326133 532719942 /nfs/dbraw/zinc/71/99/42/532719942.db2.gz AFTHLAYYNJUQOD-OAHLLOKOSA-N 2 2 390.285 2.100 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000286599482 532757631 /nfs/dbraw/zinc/75/76/31/532757631.db2.gz LDUCZLISRZVPFM-UHFFFAOYSA-N 2 2 395.903 2.265 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000286599482 532757637 /nfs/dbraw/zinc/75/76/37/532757637.db2.gz LDUCZLISRZVPFM-UHFFFAOYSA-N 2 2 395.903 2.265 20 0 GEADLP COc1cc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc(I)c1OC ZINC000414928664 532836333 /nfs/dbraw/zinc/83/63/33/532836333.db2.gz NDPFPIQFZAOBLB-GWCFXTLKSA-N 2 2 390.265 2.396 20 0 GEADLP CCCOc1c(Br)cc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)cc1OC ZINC000414967193 532836587 /nfs/dbraw/zinc/83/65/87/532836587.db2.gz PSOHOOCQVIIGIB-AWEZNQCLSA-N 2 2 386.334 2.240 20 0 GEADLP COc1cc(C[NH2+]C[C@H]([NH3+])C(C)C)cc(I)c1OC ZINC000414789093 532835066 /nfs/dbraw/zinc/83/50/66/532835066.db2.gz DYIHLAFEGAPGRL-LBPRGKRZSA-N 2 2 378.254 2.381 20 0 GEADLP CCOc1cc(C[N@H+](C)C[C@@H](O)C[NH3+])cc(Br)c1OC(F)F ZINC000415061065 532837447 /nfs/dbraw/zinc/83/74/47/532837447.db2.gz VOJHJSBCKVRJFR-JTQLQIEISA-N 2 2 383.233 2.201 20 0 GEADLP CCOc1cc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc(Br)c1OC(F)F ZINC000415061065 532837449 /nfs/dbraw/zinc/83/74/49/532837449.db2.gz VOJHJSBCKVRJFR-JTQLQIEISA-N 2 2 383.233 2.201 20 0 GEADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](CO)c2cccc(Br)c2)CC1 ZINC000274182521 532843582 /nfs/dbraw/zinc/84/35/82/532843582.db2.gz GCMNGBAJSXBNPE-KRWDZBQOSA-N 2 2 399.329 2.490 20 0 GEADLP Cc1nn(C)c(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1Br ZINC000333356248 532867699 /nfs/dbraw/zinc/86/76/99/532867699.db2.gz WSEKGEZGBLCGDM-GOEBONIOSA-N 2 2 385.350 2.349 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)[nH+]c12 ZINC000333727566 532872557 /nfs/dbraw/zinc/87/25/57/532872557.db2.gz HGXDMDCPXKDGHJ-STQMWFEESA-N 2 2 392.301 2.156 20 0 GEADLP Cc1cc(S(=O)(=O)NCC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c(C)s1 ZINC000422998340 532892617 /nfs/dbraw/zinc/89/26/17/532892617.db2.gz PVXUMJYUPRSRMS-WMLDXEAASA-N 2 2 381.567 2.191 20 0 GEADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000423084432 532893377 /nfs/dbraw/zinc/89/33/77/532893377.db2.gz HYUUGVWUBNEOMN-BBRMVZONSA-N 2 2 379.302 2.491 20 0 GEADLP COC(=O)CCC[NH+]1CCC([NH2+]CCCn2cc(Br)cn2)CC1 ZINC000290998915 532894959 /nfs/dbraw/zinc/89/49/59/532894959.db2.gz BKOOPNDVCABROW-UHFFFAOYSA-N 2 2 387.322 2.043 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3c(F)cccc3Br)C2)CC1 ZINC000365908708 532913184 /nfs/dbraw/zinc/91/31/84/532913184.db2.gz PZJWSAARBWISFQ-LBPRGKRZSA-N 2 2 384.293 2.487 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3c(F)cccc3Br)C2)CC1 ZINC000365908708 532913185 /nfs/dbraw/zinc/91/31/85/532913185.db2.gz PZJWSAARBWISFQ-LBPRGKRZSA-N 2 2 384.293 2.487 20 0 GEADLP Cc1nn(C)c(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1Br ZINC000368050648 532929798 /nfs/dbraw/zinc/92/97/98/532929798.db2.gz GVBLTKNMACAXDP-ZDUSSCGKSA-N 2 2 384.366 2.091 20 0 GEADLP Cc1nn(C)c(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1Br ZINC000368050648 532929800 /nfs/dbraw/zinc/92/98/00/532929800.db2.gz GVBLTKNMACAXDP-ZDUSSCGKSA-N 2 2 384.366 2.091 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(F)cc(Br)c3)C2)CC1 ZINC000369267359 532937743 /nfs/dbraw/zinc/93/77/43/532937743.db2.gz PFBMBJLMFBZATQ-OAHLLOKOSA-N 2 2 384.293 2.487 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(F)cc(Br)c3)C2)CC1 ZINC000369267359 532937744 /nfs/dbraw/zinc/93/77/44/532937744.db2.gz PFBMBJLMFBZATQ-OAHLLOKOSA-N 2 2 384.293 2.487 20 0 GEADLP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@H](C)[NH+]3CCSCC3)[C@H](C)C2)s1 ZINC000371018032 532946472 /nfs/dbraw/zinc/94/64/72/532946472.db2.gz VMCHRVUEQOTEHF-KEYYUXOJSA-N 2 2 382.599 2.215 20 0 GEADLP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)[C@H](C)[NH+]3CCSCC3)[C@H](C)C2)s1 ZINC000371018032 532946473 /nfs/dbraw/zinc/94/64/73/532946473.db2.gz VMCHRVUEQOTEHF-KEYYUXOJSA-N 2 2 382.599 2.215 20 0 GEADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NCCC[NH+]3C[C@H](C)O[C@@H](C)C3)c2c1 ZINC000737247977 599264362 /nfs/dbraw/zinc/26/43/62/599264362.db2.gz CJJSYNXSFCVGQK-HOTGVXAUSA-N 2 2 395.511 2.365 20 0 GEADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737503783 598356284 /nfs/dbraw/zinc/35/62/84/598356284.db2.gz YYSDNGBHQFNIDI-CXAGYDPISA-N 2 2 380.456 2.036 20 0 GEADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737503783 598356286 /nfs/dbraw/zinc/35/62/86/598356286.db2.gz YYSDNGBHQFNIDI-CXAGYDPISA-N 2 2 380.456 2.036 20 0 GEADLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3nccnc3-c3nn[nH]n3)cc2)CC1 ZINC000736759436 599530491 /nfs/dbraw/zinc/53/04/91/599530491.db2.gz RCXGJEJNQVCMFH-UHFFFAOYSA-N 2 2 379.472 2.178 20 0 GEADLP CCOCC[N@@H+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C[C@@H]1CC ZINC000821378402 599534545 /nfs/dbraw/zinc/53/45/45/599534545.db2.gz NJQMDHFXYJSDNM-HNNXBMFYSA-N 2 2 381.484 2.352 20 0 GEADLP CCOCC[N@H+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C[C@@H]1CC ZINC000821378402 599534548 /nfs/dbraw/zinc/53/45/48/599534548.db2.gz NJQMDHFXYJSDNM-HNNXBMFYSA-N 2 2 381.484 2.352 20 0 GEADLP COCC[N@@H+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc32)C[C@H]1C ZINC000821691136 599535242 /nfs/dbraw/zinc/53/52/42/599535242.db2.gz KCTTXQFUNUIKOB-OAHLLOKOSA-N 2 2 381.484 2.189 20 0 GEADLP COCC[N@H+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc32)C[C@H]1C ZINC000821691136 599535245 /nfs/dbraw/zinc/53/52/45/599535245.db2.gz KCTTXQFUNUIKOB-OAHLLOKOSA-N 2 2 381.484 2.189 20 0 GEADLP Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000822744565 607474244 /nfs/dbraw/zinc/47/42/44/607474244.db2.gz WKUYJDSPPXJAFK-UHFFFAOYSA-N 2 2 382.443 2.128 20 0 GEADLP C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000821613213 606077145 /nfs/dbraw/zinc/07/71/45/606077145.db2.gz CHPGBCWFXSKQIV-UHFFFAOYSA-N 2 2 377.496 2.401 20 0 GEADLP C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000821613213 606077151 /nfs/dbraw/zinc/07/71/51/606077151.db2.gz CHPGBCWFXSKQIV-UHFFFAOYSA-N 2 2 377.496 2.401 20 0 GEADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc(-c4nn[nH]n4)cs3)cc2)CC1 ZINC000821277472 606211400 /nfs/dbraw/zinc/21/14/00/606211400.db2.gz UNLXLHIHOWFSHH-UHFFFAOYSA-N 2 2 397.552 2.356 20 0 GEADLP CC[NH+](CC)CC1CC[NH+]([C@H](C(=O)OC)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821188922 606318282 /nfs/dbraw/zinc/31/82/82/606318282.db2.gz GJNPLWSEBTYRSE-SFHVURJKSA-N 2 2 386.500 2.135 20 0 GEADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)[C@H](C)C1 ZINC000825595235 608284456 /nfs/dbraw/zinc/28/44/56/608284456.db2.gz WEGFIZKKHYSSCD-KDOFPFPSSA-N 2 2 376.480 2.232 20 0 GEADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)[C@H](C)C1 ZINC000825595235 608284457 /nfs/dbraw/zinc/28/44/57/608284457.db2.gz WEGFIZKKHYSSCD-KDOFPFPSSA-N 2 2 376.480 2.232 20 0 GEADLP Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1-c1nn[nH]n1 ZINC000826331910 608316323 /nfs/dbraw/zinc/31/63/23/608316323.db2.gz CMIJTPJSIQQOMW-OAHLLOKOSA-N 2 2 389.467 2.464 20 0 GEADLP Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1-c1nn[nH]n1 ZINC000826331910 608316325 /nfs/dbraw/zinc/31/63/25/608316325.db2.gz CMIJTPJSIQQOMW-OAHLLOKOSA-N 2 2 389.467 2.464 20 0 GEADLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824626101 609330832 /nfs/dbraw/zinc/33/08/32/609330832.db2.gz LXABCSVCCKEKSZ-CQSZACIVSA-N 2 2 396.474 2.003 20 0 GEADLP C[N@H+](C[C@@H](O)C[NH2+]C1(c2cccc(Br)c2)CCOCC1)C1CC1 ZINC000515256033 650590481 /nfs/dbraw/zinc/59/04/81/650590481.db2.gz RDXGDICXUUMNOK-KRWDZBQOSA-N 2 2 383.330 2.500 20 0 GEADLP C[N@@H+](C[C@@H](O)C[NH2+]C1(c2cccc(Br)c2)CCOCC1)C1CC1 ZINC000515256033 650590482 /nfs/dbraw/zinc/59/04/82/650590482.db2.gz RDXGDICXUUMNOK-KRWDZBQOSA-N 2 2 383.330 2.500 20 0 GEADLP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(I)cc2)C1 ZINC000484939524 650691232 /nfs/dbraw/zinc/69/12/32/650691232.db2.gz SBCGRRJKMXDTQW-SRVKXCTJSA-N 2 2 387.265 2.287 20 0 GEADLP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(I)cc2)C1 ZINC000484939524 650691233 /nfs/dbraw/zinc/69/12/33/650691233.db2.gz SBCGRRJKMXDTQW-SRVKXCTJSA-N 2 2 387.265 2.287 20 0 GEADLP Cn1ncc(Br)c1CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000485954621 650703914 /nfs/dbraw/zinc/70/39/14/650703914.db2.gz UNXVWPBLBIZDHE-ZDUSSCGKSA-N 2 2 379.306 2.330 20 0 GEADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000487755275 650737620 /nfs/dbraw/zinc/73/76/20/650737620.db2.gz TUEPCPUBZTXFIW-DZGCQCFKSA-N 2 2 395.301 2.465 20 0 GEADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000487755275 650737624 /nfs/dbraw/zinc/73/76/24/650737624.db2.gz TUEPCPUBZTXFIW-DZGCQCFKSA-N 2 2 395.301 2.465 20 0 GEADLP CSc1nsc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000156763402 644116541 /nfs/dbraw/zinc/11/65/41/644116541.db2.gz SINQGCUBYXDRDW-UHFFFAOYSA-N 2 2 384.575 2.332 20 0 GEADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCS(=O)(=O)c3ccc(Br)cc3)C[C@@H]21 ZINC000262128271 645619117 /nfs/dbraw/zinc/61/91/17/645619117.db2.gz LHZQMCINZNNRGE-UHOFOFEASA-N 2 2 387.343 2.282 20 0 GEADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCS(=O)(=O)c3ccc(Br)cc3)C[C@@H]21 ZINC000262128271 645619124 /nfs/dbraw/zinc/61/91/24/645619124.db2.gz LHZQMCINZNNRGE-UHOFOFEASA-N 2 2 387.343 2.282 20 0 GEADLP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)c(Br)c1 ZINC000271857128 646235350 /nfs/dbraw/zinc/23/53/50/646235350.db2.gz JOQGIVVJXPUOEN-MLGOLLRUSA-N 2 2 384.318 2.448 20 0 GEADLP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)c(Br)c1 ZINC000271857128 646235356 /nfs/dbraw/zinc/23/53/56/646235356.db2.gz JOQGIVVJXPUOEN-MLGOLLRUSA-N 2 2 384.318 2.448 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccncc1Br ZINC000272641904 646282991 /nfs/dbraw/zinc/28/29/91/646282991.db2.gz DOJGFOIFAOURKD-UHFFFAOYSA-N 2 2 384.322 2.334 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccncc1Br ZINC000272641904 646282994 /nfs/dbraw/zinc/28/29/94/646282994.db2.gz DOJGFOIFAOURKD-UHFFFAOYSA-N 2 2 384.322 2.334 20 0 GEADLP C[C@@]1(O)CC[NH+](Cc2cc(Br)ccc2C[N@H+]2CC[C@@](C)(O)C2)C1 ZINC000277504538 646432704 /nfs/dbraw/zinc/43/27/04/646432704.db2.gz OEFHCFQWVNQKMT-QZTJIDSGSA-N 2 2 383.330 2.363 20 0 GEADLP C[C@@]1(O)CC[NH+](Cc2cc(Br)ccc2C[N@@H+]2CC[C@@](C)(O)C2)C1 ZINC000277504538 646432707 /nfs/dbraw/zinc/43/27/07/646432707.db2.gz OEFHCFQWVNQKMT-QZTJIDSGSA-N 2 2 383.330 2.363 20 0 GEADLP C[C@@]1(O)CC[NH+](Cc2ccc(Br)cc2C[N@@H+]2CC[C@@](C)(O)C2)C1 ZINC000277504538 646432709 /nfs/dbraw/zinc/43/27/09/646432709.db2.gz OEFHCFQWVNQKMT-QZTJIDSGSA-N 2 2 383.330 2.363 20 0 GEADLP C[C@@]1(O)CC[NH+](Cc2ccc(Br)cc2C[N@H+]2CC[C@@](C)(O)C2)C1 ZINC000277504538 646432711 /nfs/dbraw/zinc/43/27/11/646432711.db2.gz OEFHCFQWVNQKMT-QZTJIDSGSA-N 2 2 383.330 2.363 20 0 GEADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NCc3ccc(Cl)s3)C2)CC1 ZINC000369439229 647777389 /nfs/dbraw/zinc/77/73/89/647777389.db2.gz FZPVGEXVFNIUOF-OAHLLOKOSA-N 2 2 384.977 2.118 20 0 GEADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NCc3ccc(Cl)s3)C2)CC1 ZINC000369439229 647777397 /nfs/dbraw/zinc/77/73/97/647777397.db2.gz FZPVGEXVFNIUOF-OAHLLOKOSA-N 2 2 384.977 2.118 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3CCCC[C@H]3C[NH3+])[nH+]c12 ZINC000418026081 648271721 /nfs/dbraw/zinc/27/17/21/648271721.db2.gz VSABRGJYYROGEP-HNNXBMFYSA-N 2 2 394.317 2.471 20 0 GEADLP CC(C)[C@@H]([NH3+])CNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000418396659 648296605 /nfs/dbraw/zinc/29/66/05/648296605.db2.gz CULHTKDFHXUYPI-AWEZNQCLSA-N 2 2 398.305 2.434 20 0 GEADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3c(Br)cnn3C)CC2)CC1 ZINC000421378895 648489486 /nfs/dbraw/zinc/48/94/86/648489486.db2.gz UBJZFRJUNXXTPP-UHFFFAOYSA-N 2 2 384.366 2.175 20 0 GEADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3c(Br)cnn3C)CC2)CC1 ZINC000421378895 648489490 /nfs/dbraw/zinc/48/94/90/648489490.db2.gz UBJZFRJUNXXTPP-UHFFFAOYSA-N 2 2 384.366 2.175 20 0 GEADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CSCc3cscn3)CC2)CC1 ZINC000422010142 648517925 /nfs/dbraw/zinc/51/79/25/648517925.db2.gz BNQPAOWKDUZVCJ-UHFFFAOYSA-N 2 2 382.599 2.395 20 0 GEADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CSCc3cscn3)CC2)CC1 ZINC000422010142 648517932 /nfs/dbraw/zinc/51/79/32/648517932.db2.gz BNQPAOWKDUZVCJ-UHFFFAOYSA-N 2 2 382.599 2.395 20 0 GEADLP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000422958155 648578983 /nfs/dbraw/zinc/57/89/83/648578983.db2.gz WVKLOADFUYWSLK-HIFRSBDPSA-N 2 2 384.318 2.443 20 0 GEADLP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423163928 648585570 /nfs/dbraw/zinc/58/55/70/648585570.db2.gz RUTFGXWFDPFTTE-UKPHBRMFSA-N 2 2 385.346 2.265 20 0 GEADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423300479 648589705 /nfs/dbraw/zinc/58/97/05/648589705.db2.gz RRKZFFYBEQMSIV-ZYHUDNBSSA-N 2 2 378.336 2.265 20 0 GEADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430707048 648765185 /nfs/dbraw/zinc/76/51/85/648765185.db2.gz OVIARVHPTJAVSL-LBPRGKRZSA-N 2 2 392.363 2.479 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3CCC[C@H](C[NH3+])C3)[nH+]c12 ZINC000563584084 651534087 /nfs/dbraw/zinc/53/40/87/651534087.db2.gz DHUWTWNNFXYFQV-CYBMUJFWSA-N 2 2 394.317 2.328 20 0 GEADLP O=S(=O)(CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Br)c1 ZINC000644524064 651552252 /nfs/dbraw/zinc/55/22/52/651552252.db2.gz OPYVYYOXNHQMFQ-HUUCEWRRSA-N 2 2 387.343 2.439 20 0 GEADLP O=S(=O)(CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Br)c1 ZINC000644524064 651552261 /nfs/dbraw/zinc/55/22/61/651552261.db2.gz OPYVYYOXNHQMFQ-HUUCEWRRSA-N 2 2 387.343 2.439 20 0 GEADLP COc1ccc(Br)cc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000607649782 651576383 /nfs/dbraw/zinc/57/63/83/651576383.db2.gz SJOIVDURTSHUFI-AWEZNQCLSA-N 2 2 396.329 2.356 20 0 GEADLP COc1ccc(Br)cc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000607649782 651576385 /nfs/dbraw/zinc/57/63/85/651576385.db2.gz SJOIVDURTSHUFI-AWEZNQCLSA-N 2 2 396.329 2.356 20 0 GEADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000566232067 651605696 /nfs/dbraw/zinc/60/56/96/651605696.db2.gz YIKCWNSOVAVCPU-KGLIPLIRSA-N 2 2 377.312 2.170 20 0 GEADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000566232067 651605698 /nfs/dbraw/zinc/60/56/98/651605698.db2.gz YIKCWNSOVAVCPU-KGLIPLIRSA-N 2 2 377.312 2.170 20 0 GEADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc3c(cc2Br)OCO3)CC12CCOCC2 ZINC000568762092 651680235 /nfs/dbraw/zinc/68/02/35/651680235.db2.gz WCXFEVAXKNJCNX-CYBMUJFWSA-N 2 2 383.286 2.365 20 0 GEADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc3c(cc2Br)OCO3)CC12CCOCC2 ZINC000568762092 651680242 /nfs/dbraw/zinc/68/02/42/651680242.db2.gz WCXFEVAXKNJCNX-CYBMUJFWSA-N 2 2 383.286 2.365 20 0 GEADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000647834707 651762003 /nfs/dbraw/zinc/76/20/03/651762003.db2.gz CVOBISMCRJQLDR-UHFFFAOYSA-N 2 2 378.826 2.134 20 0 GEADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000647834707 651762008 /nfs/dbraw/zinc/76/20/08/651762008.db2.gz CVOBISMCRJQLDR-UHFFFAOYSA-N 2 2 378.826 2.134 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[nH+]c12 ZINC000648860461 651806477 /nfs/dbraw/zinc/80/64/77/651806477.db2.gz LDIOGTNCZUROPN-IUODEOHRSA-N 2 2 379.302 2.404 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[nH+]c12 ZINC000648860461 651806482 /nfs/dbraw/zinc/80/64/82/651806482.db2.gz LDIOGTNCZUROPN-IUODEOHRSA-N 2 2 379.302 2.404 20 0 GEADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(I)c(Cl)c1)C1CC1 ZINC000571040498 651807660 /nfs/dbraw/zinc/80/76/60/651807660.db2.gz FQJYCBMCLHJLCD-GFCCVEGCSA-N 2 2 394.684 2.489 20 0 GEADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(I)c(Cl)c1)C1CC1 ZINC000571040498 651807665 /nfs/dbraw/zinc/80/76/65/651807665.db2.gz FQJYCBMCLHJLCD-GFCCVEGCSA-N 2 2 394.684 2.489 20 0 GEADLP CC[N@H+](CC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1)C1CC1 ZINC000572218281 651879260 /nfs/dbraw/zinc/87/92/60/651879260.db2.gz LZWSDUZUTRBLOV-UHFFFAOYSA-N 2 2 396.333 2.019 20 0 GEADLP CC[N@@H+](CC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1)C1CC1 ZINC000572218281 651879264 /nfs/dbraw/zinc/87/92/64/651879264.db2.gz LZWSDUZUTRBLOV-UHFFFAOYSA-N 2 2 396.333 2.019 20 0 GEADLP NC(=O)[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348550 651916034 /nfs/dbraw/zinc/91/60/34/651916034.db2.gz HZCCGEZOWFIMAU-ORQFMDKSSA-N 2 2 396.329 2.194 20 0 GEADLP NC(=O)[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348550 651916039 /nfs/dbraw/zinc/91/60/39/651916039.db2.gz HZCCGEZOWFIMAU-ORQFMDKSSA-N 2 2 396.329 2.194 20 0 GEADLP [NH3+]C[C@@H]1CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCCO1 ZINC000574276000 652013130 /nfs/dbraw/zinc/01/31/30/652013130.db2.gz AOJUSJKCICTKNE-IAGOWNOFSA-N 2 2 396.329 2.162 20 0 GEADLP C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000576823912 652146145 /nfs/dbraw/zinc/14/61/45/652146145.db2.gz XLHLTNFCAFNLAK-NEPJUHHUSA-N 2 2 387.265 2.289 20 0 GEADLP C[C@H](C(=O)Nc1cccc(I)c1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000576823912 652146155 /nfs/dbraw/zinc/14/61/55/652146155.db2.gz XLHLTNFCAFNLAK-NEPJUHHUSA-N 2 2 387.265 2.289 20 0 GEADLP O=C(C[C@@H]1COCC[NH2+]1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000577215888 652170630 /nfs/dbraw/zinc/17/06/30/652170630.db2.gz YSHDGVKMTPKSQL-QGZVFWFLSA-N 2 2 386.323 2.453 20 0 GEADLP O=C([C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000578011520 652235476 /nfs/dbraw/zinc/23/54/76/652235476.db2.gz UPOKZEHKBFBELC-HLLBOEOZSA-N 2 2 378.314 2.264 20 0 GEADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000578244749 652255828 /nfs/dbraw/zinc/25/58/28/652255828.db2.gz IFILUNCKNJXPCN-QWHCGFSZSA-N 2 2 381.464 2.280 20 0 GEADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000578244749 652255833 /nfs/dbraw/zinc/25/58/33/652255833.db2.gz IFILUNCKNJXPCN-QWHCGFSZSA-N 2 2 381.464 2.280 20 0 GEADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000578244749 652255838 /nfs/dbraw/zinc/25/58/38/652255838.db2.gz IFILUNCKNJXPCN-QWHCGFSZSA-N 2 2 381.464 2.280 20 0 GEADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000578244749 652255841 /nfs/dbraw/zinc/25/58/41/652255841.db2.gz IFILUNCKNJXPCN-QWHCGFSZSA-N 2 2 381.464 2.280 20 0 GEADLP CSc1ccc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1Cl ZINC000658427765 652270310 /nfs/dbraw/zinc/27/03/10/652270310.db2.gz QBMNSGNLCHYLBS-UHFFFAOYSA-N 2 2 386.949 2.000 20 0 GEADLP CSc1ccc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1Cl ZINC000658427765 652270315 /nfs/dbraw/zinc/27/03/15/652270315.db2.gz QBMNSGNLCHYLBS-UHFFFAOYSA-N 2 2 386.949 2.000 20 0 GEADLP O[C@@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662154524 652449219 /nfs/dbraw/zinc/44/92/19/652449219.db2.gz GCGYVYDLTIYETA-HUUCEWRRSA-N 2 2 389.323 2.264 20 0 GEADLP O[C@@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662154524 652449220 /nfs/dbraw/zinc/44/92/20/652449220.db2.gz GCGYVYDLTIYETA-HUUCEWRRSA-N 2 2 389.323 2.264 20 0 GEADLP [NH3+][C@@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccccc1Br ZINC000662377921 652457843 /nfs/dbraw/zinc/45/78/43/652457843.db2.gz SIQJSMTXMZJEFN-MRXNPFEDSA-N 2 2 377.286 2.341 20 0 GEADLP C[C@@H]1C[N@H+](C[C@H](O)c2ccccc2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000764463911 652801596 /nfs/dbraw/zinc/80/15/96/652801596.db2.gz AGCBOGQBGACMFH-LZQZEXGQSA-N 2 2 396.373 2.440 20 0 GEADLP C[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000764463911 652801598 /nfs/dbraw/zinc/80/15/98/652801598.db2.gz AGCBOGQBGACMFH-LZQZEXGQSA-N 2 2 396.373 2.440 20 0 GEADLP C[NH+](C)CCCNC(=S)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000765514693 652842315 /nfs/dbraw/zinc/84/23/15/652842315.db2.gz DOVROZQKFFTKRC-IAGOWNOFSA-N 2 2 384.977 2.128 20 0 GEADLP C[NH+](C)CCCNC(=S)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000765514693 652842321 /nfs/dbraw/zinc/84/23/21/652842321.db2.gz DOVROZQKFFTKRC-IAGOWNOFSA-N 2 2 384.977 2.128 20 0 GEADLP C[NH+](C)CCCNC(=S)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000765514689 652842373 /nfs/dbraw/zinc/84/23/73/652842373.db2.gz DOVROZQKFFTKRC-DLBZAZTESA-N 2 2 384.977 2.128 20 0 GEADLP C[NH+](C)CCCNC(=S)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000765514689 652842374 /nfs/dbraw/zinc/84/23/74/652842374.db2.gz DOVROZQKFFTKRC-DLBZAZTESA-N 2 2 384.977 2.128 20 0 GEADLP C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638914685 652912711 /nfs/dbraw/zinc/91/27/11/652912711.db2.gz CTECDJPYJVQPDG-ZBFHGGJFSA-N 2 2 379.551 2.396 20 0 GEADLP C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638914685 652912715 /nfs/dbraw/zinc/91/27/15/652912715.db2.gz CTECDJPYJVQPDG-ZBFHGGJFSA-N 2 2 379.551 2.396 20 0 GEADLP NS(=O)(=O)c1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000639115754 652919584 /nfs/dbraw/zinc/91/95/84/652919584.db2.gz ZECSWGLYRVHEFF-UHFFFAOYSA-N 2 2 380.539 2.308 20 0 GEADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639132676 652921444 /nfs/dbraw/zinc/92/14/44/652921444.db2.gz SFJAEYOVFUURBD-UHFFFAOYSA-N 2 2 390.347 2.014 20 0 GEADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639132676 652921449 /nfs/dbraw/zinc/92/14/49/652921449.db2.gz SFJAEYOVFUURBD-UHFFFAOYSA-N 2 2 390.347 2.014 20 0 GEADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000641771220 653233390 /nfs/dbraw/zinc/23/33/90/653233390.db2.gz DZSGBKBKUNQRGK-ZDUSSCGKSA-N 2 2 375.307 2.346 20 0 GEADLP Brc1ccsc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641788497 653233826 /nfs/dbraw/zinc/23/38/26/653233826.db2.gz NQVXZSJNUHNUSW-AWEZNQCLSA-N 2 2 388.375 2.397 20 0 GEADLP C[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cncc(Br)c1 ZINC000641785821 653233922 /nfs/dbraw/zinc/23/39/22/653233922.db2.gz LKRFHTVEJKMFFQ-CRAIPNDOSA-N 2 2 397.361 2.291 20 0 GEADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Br)cn1 ZINC000684551735 653275949 /nfs/dbraw/zinc/27/59/49/653275949.db2.gz BTNYAWQPNIINGA-BBRMVZONSA-N 2 2 383.334 2.437 20 0 GEADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Br)cn1 ZINC000684551735 653275955 /nfs/dbraw/zinc/27/59/55/653275955.db2.gz BTNYAWQPNIINGA-BBRMVZONSA-N 2 2 383.334 2.437 20 0 GEADLP COc1ccc(Br)c(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000685570614 653305412 /nfs/dbraw/zinc/30/54/12/653305412.db2.gz IUDWSUUVDQDFNU-UHFFFAOYSA-N 2 2 399.329 2.117 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCSCCC(F)(F)F ZINC000876175613 653405703 /nfs/dbraw/zinc/40/57/03/653405703.db2.gz JHMIUBGTMFJNFU-UHFFFAOYSA-N 2 2 384.512 2.339 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCSCCC(F)(F)F ZINC000876175613 653405707 /nfs/dbraw/zinc/40/57/07/653405707.db2.gz JHMIUBGTMFJNFU-UHFFFAOYSA-N 2 2 384.512 2.339 20 0 GEADLP ClC1(Cl)C[C@H]1C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000877009817 653459732 /nfs/dbraw/zinc/45/97/32/653459732.db2.gz BDHNWANOVSAURK-UONOGXRCSA-N 2 2 386.327 2.065 20 0 GEADLP Cn1nc(Br)cc1CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000784300543 653691543 /nfs/dbraw/zinc/69/15/43/653691543.db2.gz RTOSMBWBZOVQRJ-ZDUSSCGKSA-N 2 2 379.306 2.330 20 0 GEADLP C[C@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000817918225 653722747 /nfs/dbraw/zinc/72/27/47/653722747.db2.gz XCKPTIQQRCSFPQ-WFASDCNBSA-N 2 2 380.432 2.479 20 0 GEADLP C[NH+]1CCC(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)CC1 ZINC000787673878 653741969 /nfs/dbraw/zinc/74/19/69/653741969.db2.gz YJAVKHSVYVPTDI-UHFFFAOYSA-N 2 2 395.345 2.481 20 0 GEADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccnc3Br)cn2)CC1 ZINC000865410364 653764664 /nfs/dbraw/zinc/76/46/64/653764664.db2.gz RDWWOXYIKQQDCO-UHFFFAOYSA-N 2 2 376.302 2.281 20 0 GEADLP OCC1([NH2+]CC2CC2)CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000844333803 653805181 /nfs/dbraw/zinc/80/51/81/653805181.db2.gz BGGIEWLYCIIDLC-QGZVFWFLSA-N 2 2 383.330 2.309 20 0 GEADLP CC1(C)C[S@](=O)CC[NH+]1CCCCCC[N@H+]1CC[S@](=O)CC1(C)C ZINC000794569601 653911552 /nfs/dbraw/zinc/91/15/52/653911552.db2.gz YBCYITBLIJQUCC-PSWAGMNNSA-N 2 2 376.632 2.233 20 0 GEADLP CC1(C)C[S@](=O)CC[NH+]1CCCCCC[N@@H+]1CC[S@](=O)CC1(C)C ZINC000794569601 653911557 /nfs/dbraw/zinc/91/15/57/653911557.db2.gz YBCYITBLIJQUCC-PSWAGMNNSA-N 2 2 376.632 2.233 20 0 GEADLP CC1(C)C[S@@](=O)CC[NH+]1CCCCCC[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000794569601 653911563 /nfs/dbraw/zinc/91/15/63/653911563.db2.gz YBCYITBLIJQUCC-PSWAGMNNSA-N 2 2 376.632 2.233 20 0 GEADLP CC1(C)C[S@@](=O)CC[NH+]1CCCCCC[N@H+]1CC[S@@](=O)CC1(C)C ZINC000794569601 653911567 /nfs/dbraw/zinc/91/15/67/653911567.db2.gz YBCYITBLIJQUCC-PSWAGMNNSA-N 2 2 376.632 2.233 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1nc(F)ccc1Br ZINC000847489169 653930836 /nfs/dbraw/zinc/93/08/36/653930836.db2.gz KRDVOORJLIRPLH-UHFFFAOYSA-N 2 2 387.297 2.081 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1nc(F)ccc1Br ZINC000847489169 653930839 /nfs/dbraw/zinc/93/08/39/653930839.db2.gz KRDVOORJLIRPLH-UHFFFAOYSA-N 2 2 387.297 2.081 20 0 GEADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)s1 ZINC000796311093 653995431 /nfs/dbraw/zinc/99/54/31/653995431.db2.gz SSJABRANOWXRPN-AWEZNQCLSA-N 2 2 383.901 2.453 20 0 GEADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2cccc(F)c2Br)CC1 ZINC000903464638 654239929 /nfs/dbraw/zinc/23/99/29/654239929.db2.gz UTKQMTYFQGZGMP-CABCVRRESA-N 2 2 398.276 2.345 20 0 GEADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)Nc1ccc(I)cc1)C2 ZINC000903850500 654287593 /nfs/dbraw/zinc/28/75/93/654287593.db2.gz SHTXESZATRKDJF-JKOKRWQUSA-N 2 2 385.249 2.041 20 0 GEADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)Nc1ccc(I)cc1)C2 ZINC000903850500 654287597 /nfs/dbraw/zinc/28/75/97/654287597.db2.gz SHTXESZATRKDJF-JKOKRWQUSA-N 2 2 385.249 2.041 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnc(Cl)c(Br)c1 ZINC000855415191 654418159 /nfs/dbraw/zinc/41/81/59/654418159.db2.gz UAOFQEJFFWLQFO-UHFFFAOYSA-N 2 2 377.714 2.111 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnc(Cl)c(Br)c1 ZINC000855415191 654418162 /nfs/dbraw/zinc/41/81/62/654418162.db2.gz UAOFQEJFFWLQFO-UHFFFAOYSA-N 2 2 377.714 2.111 20 0 GEADLP O=C(c1cc(Cl)cc(Cl)c1)N1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923301558 654442192 /nfs/dbraw/zinc/44/21/92/654442192.db2.gz WMSGMUPPHMBJEN-INIZCTEOSA-N 2 2 384.307 2.130 20 0 GEADLP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CC(=O)Nc1ccccc1Br)CC2 ZINC000923456772 654454055 /nfs/dbraw/zinc/45/40/55/654454055.db2.gz GFLQWCDJICTRMX-ZDUSSCGKSA-N 2 2 382.302 2.217 20 0 GEADLP Clc1nccc2cc(C[NH2+][C@@H]3CCN(CC[NH+]4CCOCC4)C3)sc21 ZINC000894255704 654459925 /nfs/dbraw/zinc/45/99/25/654459925.db2.gz IBXULFVUOKAMDV-OAHLLOKOSA-N 2 2 380.945 2.446 20 0 GEADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(Br)n1 ZINC000924902188 654528395 /nfs/dbraw/zinc/52/83/95/654528395.db2.gz NBWMFPQRXVJJBY-ZFWWWQNUSA-N 2 2 383.334 2.437 20 0 GEADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(Br)n1 ZINC000924902188 654528398 /nfs/dbraw/zinc/52/83/98/654528398.db2.gz NBWMFPQRXVJJBY-ZFWWWQNUSA-N 2 2 383.334 2.437 20 0 GEADLP CCOc1cc(Br)ccc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926072930 654557819 /nfs/dbraw/zinc/55/78/19/654557819.db2.gz YKKHCJXIEDWCKI-UHFFFAOYSA-N 2 2 385.306 2.392 20 0 GEADLP Cc1cc(Br)ccc1NC(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931483576 654743580 /nfs/dbraw/zinc/74/35/80/654743580.db2.gz IQCDANUYRXPAHA-UHFFFAOYSA-N 2 2 384.318 2.085 20 0 GEADLP Cn1nnc2c1CCN(c1cccc(C3CC3)[nH+]1)[C@H]2COCC[NH+]1CCCC1 ZINC001164716774 720205261 /nfs/dbraw/zinc/20/52/61/720205261.db2.gz DWVITJBWJGVUIK-IBGZPJMESA-N 2 2 382.512 2.304 20 0 GEADLP Cc1c[nH+]c(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc1N1CCCC1 ZINC001164773122 721070719 /nfs/dbraw/zinc/07/07/19/721070719.db2.gz WMTFKVXUIHBQAO-MOPGFXCFSA-N 2 2 381.528 2.077 20 0 GEADLP Cc1c[nH+]c(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc1N1CCCC1 ZINC001164773122 721070724 /nfs/dbraw/zinc/07/07/24/721070724.db2.gz WMTFKVXUIHBQAO-MOPGFXCFSA-N 2 2 381.528 2.077 20 0 GEADLP C[C@@H]1CCCN(c2cc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc[nH+]2)C1 ZINC001164770137 721222790 /nfs/dbraw/zinc/22/27/90/721222790.db2.gz NOIGAZAFZWNVFX-YZGWKJHDSA-N 2 2 395.555 2.405 20 0 GEADLP C[C@@H]1CCCN(c2cc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc[nH+]2)C1 ZINC001164770137 721222797 /nfs/dbraw/zinc/22/27/97/721222797.db2.gz NOIGAZAFZWNVFX-YZGWKJHDSA-N 2 2 395.555 2.405 20 0 GEADLP Cc1[nH+]c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cc2[nH]ccc21 ZINC001164916262 721791741 /nfs/dbraw/zinc/79/17/41/721791741.db2.gz PGDVZRKLWJQGOK-JOCHJYFZSA-N 2 2 393.491 2.374 20 0 GEADLP Cc1[nH+]c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cc2[nH]ccc21 ZINC001164916262 721791747 /nfs/dbraw/zinc/79/17/47/721791747.db2.gz PGDVZRKLWJQGOK-JOCHJYFZSA-N 2 2 393.491 2.374 20 0 GEADLP C[NH+]1CCN(c2cccc(N3CC[C@@]4(C[C@H](Oc5cccnc5)CO4)C3)[nH+]2)CC1 ZINC001164916932 721806578 /nfs/dbraw/zinc/80/65/78/721806578.db2.gz SLKWRKRAPCUOEM-SIKLNZKXSA-N 2 2 395.507 2.045 20 0 GEADLP c1ccc(C[N@@H+]2CCc3ncnc(N4CC[NH+](C[C@H]5CCCO5)CC4)c3C2)cc1 ZINC001165036685 721903158 /nfs/dbraw/zinc/90/31/58/721903158.db2.gz IWQMWPXWUFRNQJ-HXUWFJFHSA-N 2 2 393.535 2.336 20 0 GEADLP c1ccc(C[N@H+]2CCc3ncnc(N4CC[NH+](C[C@H]5CCCO5)CC4)c3C2)cc1 ZINC001165036685 721903159 /nfs/dbraw/zinc/90/31/59/721903159.db2.gz IWQMWPXWUFRNQJ-HXUWFJFHSA-N 2 2 393.535 2.336 20 0 GEADLP Cc1c[nH+]c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc1NC1CC1 ZINC001165002065 722250361 /nfs/dbraw/zinc/25/03/61/722250361.db2.gz VIBBRLUORXSPKB-UHFFFAOYSA-N 2 2 385.516 2.044 20 0 GEADLP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000153373994 531595447 /nfs/dbraw/zinc/59/54/47/531595447.db2.gz MWQYZOKGKZPVKQ-WMZOPIPTSA-N 2 2 398.345 2.015 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(Br)ccc3O)CC2)CC1 ZINC000051463984 531743036 /nfs/dbraw/zinc/74/30/36/531743036.db2.gz JBDAPTWQODMFOR-UHFFFAOYSA-N 2 2 396.329 2.443 20 0 GEADLP Cc1cnc(CC[N@@H+](C)CC(=O)N2CC[NH+](Cc3ccsc3)CC2)s1 ZINC000157749910 531753149 /nfs/dbraw/zinc/75/31/49/531753149.db2.gz SDDPBVSLDJIXCC-UHFFFAOYSA-N 2 2 378.567 2.332 20 0 GEADLP Cc1cnc(CC[N@H+](C)CC(=O)N2CC[NH+](Cc3ccsc3)CC2)s1 ZINC000157749910 531753158 /nfs/dbraw/zinc/75/31/58/531753158.db2.gz SDDPBVSLDJIXCC-UHFFFAOYSA-N 2 2 378.567 2.332 20 0 GEADLP C[NH+]1CCC(CNC(=O)c2cc(Br)c[nH]2)([NH+]2CCCCC2)CC1 ZINC000172849829 531968815 /nfs/dbraw/zinc/96/88/15/531968815.db2.gz UWIJUHYHZRNCDA-UHFFFAOYSA-N 2 2 383.334 2.457 20 0 GEADLP C[N@H+](CCCn1cc[nH+]c1)CCS(=O)(=O)c1cccc(Br)c1 ZINC000181070714 532289598 /nfs/dbraw/zinc/28/95/98/532289598.db2.gz OILXPGCODUPECZ-UHFFFAOYSA-N 2 2 386.315 2.441 20 0 GEADLP C[N@@H+](CCCn1cc[nH+]c1)CCS(=O)(=O)c1cccc(Br)c1 ZINC000181070714 532289602 /nfs/dbraw/zinc/28/96/02/532289602.db2.gz OILXPGCODUPECZ-UHFFFAOYSA-N 2 2 386.315 2.441 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000181063783 532290112 /nfs/dbraw/zinc/29/01/12/532290112.db2.gz LRLQKPVVBRFMEQ-UHFFFAOYSA-N 2 2 395.356 2.035 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000181063783 532290116 /nfs/dbraw/zinc/29/01/16/532290116.db2.gz LRLQKPVVBRFMEQ-UHFFFAOYSA-N 2 2 395.356 2.035 20 0 GEADLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(Br)o3)CC2)CC1 ZINC000191332595 532360513 /nfs/dbraw/zinc/36/05/13/532360513.db2.gz WTJDTMNKLBJGBL-UHFFFAOYSA-N 2 2 384.318 2.418 20 0 GEADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCS(=O)(=O)c3cccc(Br)c3)C[C@@H]21 ZINC000647907752 532383768 /nfs/dbraw/zinc/38/37/68/532383768.db2.gz OSKUGJOLZLFCBC-VBNZEHGJSA-N 2 2 387.343 2.282 20 0 GEADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCS(=O)(=O)c3cccc(Br)c3)C[C@@H]21 ZINC000647907752 532383776 /nfs/dbraw/zinc/38/37/76/532383776.db2.gz OSKUGJOLZLFCBC-VBNZEHGJSA-N 2 2 387.343 2.282 20 0 GEADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[NH+]1CCC(O)CC1 ZINC000294848773 532387274 /nfs/dbraw/zinc/38/72/74/532387274.db2.gz NFSRYXHKBFLCCH-CYBMUJFWSA-N 2 2 384.318 2.213 20 0 GEADLP Fc1cccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1Br ZINC000648452159 532398779 /nfs/dbraw/zinc/39/87/79/532398779.db2.gz JKKFQDKLAROWTJ-HNNXBMFYSA-N 2 2 386.309 2.084 20 0 GEADLP C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000517231141 532409342 /nfs/dbraw/zinc/40/93/42/532409342.db2.gz SNPUJAIQGFIXNS-TZMCWYRMSA-N 2 2 375.332 2.295 20 0 GEADLP C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CC[N@H+]1C ZINC000517231141 532409349 /nfs/dbraw/zinc/40/93/49/532409349.db2.gz SNPUJAIQGFIXNS-TZMCWYRMSA-N 2 2 375.332 2.295 20 0 GEADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccncc2Br)nc[nH+]1 ZINC000625138704 532413117 /nfs/dbraw/zinc/41/31/17/532413117.db2.gz CFSBVXBTFUSYGQ-ZDUSSCGKSA-N 2 2 377.290 2.434 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3CCC[N@@H+](C)C3)[nH+]c12 ZINC000680555709 532418135 /nfs/dbraw/zinc/41/81/35/532418135.db2.gz WVVDLEUDPNKHHW-ZDUSSCGKSA-N 2 2 380.290 2.299 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3CCC[N@H+](C)C3)[nH+]c12 ZINC000680555709 532418137 /nfs/dbraw/zinc/41/81/37/532418137.db2.gz WVVDLEUDPNKHHW-ZDUSSCGKSA-N 2 2 380.290 2.299 20 0 GEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000466226467 532422970 /nfs/dbraw/zinc/42/29/70/532422970.db2.gz NIDAMKJNFOSNPB-IAQYHMDHSA-N 2 2 392.301 2.379 20 0 GEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000466226467 532422978 /nfs/dbraw/zinc/42/29/78/532422978.db2.gz NIDAMKJNFOSNPB-IAQYHMDHSA-N 2 2 392.301 2.379 20 0 GEADLP C[C@H](C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)[NH+]1CCSCC1 ZINC000429044034 532469467 /nfs/dbraw/zinc/46/94/67/532469467.db2.gz HEEKAFFRZOXKFC-SJLPKXTDSA-N 2 2 379.595 2.158 20 0 GEADLP C[C@H](C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)[NH+]1CCSCC1 ZINC000429044034 532469471 /nfs/dbraw/zinc/46/94/71/532469471.db2.gz HEEKAFFRZOXKFC-SJLPKXTDSA-N 2 2 379.595 2.158 20 0 GEADLP Cc1cc(Br)c(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)s1 ZINC000651582514 532479715 /nfs/dbraw/zinc/47/97/15/532479715.db2.gz OAMXEBGVZUXREE-AWEZNQCLSA-N 2 2 388.375 2.315 20 0 GEADLP NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000562839303 532485383 /nfs/dbraw/zinc/48/53/83/532485383.db2.gz LJYOVLDPECHIAT-BBWFWOEESA-N 2 2 396.329 2.194 20 0 GEADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000430639557 532502128 /nfs/dbraw/zinc/50/21/28/532502128.db2.gz POBWVUNZAPUIJD-OAHLLOKOSA-N 2 2 398.345 2.218 20 0 GEADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000430639557 532502133 /nfs/dbraw/zinc/50/21/33/532502133.db2.gz POBWVUNZAPUIJD-OAHLLOKOSA-N 2 2 398.345 2.218 20 0 GEADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2ccsc2Br)CC1 ZINC000283390560 532537176 /nfs/dbraw/zinc/53/71/76/532537176.db2.gz DTKJOVQKZNQDLZ-UHFFFAOYSA-N 2 2 389.363 2.336 20 0 GEADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccs2)C1 ZINC000246430917 532539586 /nfs/dbraw/zinc/53/95/86/532539586.db2.gz MQEKKXLQHIIMFK-DOTOQJQBSA-N 2 2 379.551 2.452 20 0 GEADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccs2)C1 ZINC000246430917 532539591 /nfs/dbraw/zinc/53/95/91/532539591.db2.gz MQEKKXLQHIIMFK-DOTOQJQBSA-N 2 2 379.551 2.452 20 0 GEADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000564974917 532540933 /nfs/dbraw/zinc/54/09/33/532540933.db2.gz FAJNWQAYWJGIPT-GJZGRUSLSA-N 2 2 377.312 2.170 20 0 GEADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000564974917 532540940 /nfs/dbraw/zinc/54/09/40/532540940.db2.gz FAJNWQAYWJGIPT-GJZGRUSLSA-N 2 2 377.312 2.170 20 0 GEADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000245576737 532521801 /nfs/dbraw/zinc/52/18/01/532521801.db2.gz FIHMVDTXMURQHE-ZTFGCOKTSA-N 2 2 393.329 2.259 20 0 GEADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000245576737 532521810 /nfs/dbraw/zinc/52/18/10/532521810.db2.gz FIHMVDTXMURQHE-ZTFGCOKTSA-N 2 2 393.329 2.259 20 0 GEADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000374994893 532526931 /nfs/dbraw/zinc/52/69/31/532526931.db2.gz BJODNDPQJRRNGQ-UHFFFAOYSA-N 2 2 387.293 2.247 20 0 GEADLP COc1ccc(Br)cc1[C@H]1CCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653083911 532530402 /nfs/dbraw/zinc/53/04/02/532530402.db2.gz OFCAEWGFOXXVOS-LSDHHAIUSA-N 2 2 384.318 2.400 20 0 GEADLP C[C@@H]1C[N@H+](Cc2ccc(Br)cc2C[NH+]2C[C@H](O)[C@@H](C)C2)C[C@@H]1O ZINC000433239700 532559992 /nfs/dbraw/zinc/55/99/92/532559992.db2.gz IIJYFZWVQROGFJ-QISBLDNZSA-N 2 2 383.330 2.074 20 0 GEADLP C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2C[NH+]2C[C@H](O)[C@@H](C)C2)C[C@@H]1O ZINC000433239700 532560003 /nfs/dbraw/zinc/56/00/03/532560003.db2.gz IIJYFZWVQROGFJ-QISBLDNZSA-N 2 2 383.330 2.074 20 0 GEADLP C[C@@H]1C[NH+](Cc2ccc(Br)cc2C[N@H+]2C[C@H](O)[C@@H](C)C2)C[C@@H]1O ZINC000433239700 532560010 /nfs/dbraw/zinc/56/00/10/532560010.db2.gz IIJYFZWVQROGFJ-QISBLDNZSA-N 2 2 383.330 2.074 20 0 GEADLP C[C@@H]1C[NH+](Cc2ccc(Br)cc2C[N@@H+]2C[C@H](O)[C@@H](C)C2)C[C@@H]1O ZINC000433239700 532560012 /nfs/dbraw/zinc/56/00/12/532560012.db2.gz IIJYFZWVQROGFJ-QISBLDNZSA-N 2 2 383.330 2.074 20 0 GEADLP O[C@@H]1CCC[NH+](Cc2cc(Br)ccc2C[N@H+]2CCC[C@@H](O)C2)C1 ZINC000249292487 532562807 /nfs/dbraw/zinc/56/28/07/532562807.db2.gz JHXYXUXJOGCSHU-QZTJIDSGSA-N 2 2 383.330 2.363 20 0 GEADLP O[C@@H]1CCC[NH+](Cc2cc(Br)ccc2C[N@@H+]2CCC[C@@H](O)C2)C1 ZINC000249292487 532562811 /nfs/dbraw/zinc/56/28/11/532562811.db2.gz JHXYXUXJOGCSHU-QZTJIDSGSA-N 2 2 383.330 2.363 20 0 GEADLP O[C@@H]1CCC[NH+](Cc2ccc(Br)cc2C[N@@H+]2CCC[C@@H](O)C2)C1 ZINC000249292487 532562814 /nfs/dbraw/zinc/56/28/14/532562814.db2.gz JHXYXUXJOGCSHU-QZTJIDSGSA-N 2 2 383.330 2.363 20 0 GEADLP O[C@@H]1CCC[NH+](Cc2ccc(Br)cc2C[N@H+]2CCC[C@@H](O)C2)C1 ZINC000249292487 532562819 /nfs/dbraw/zinc/56/28/19/532562819.db2.gz JHXYXUXJOGCSHU-QZTJIDSGSA-N 2 2 383.330 2.363 20 0 GEADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000433307969 532562940 /nfs/dbraw/zinc/56/29/40/532562940.db2.gz XAIUEEQQLKMDOH-INIZCTEOSA-N 2 2 380.330 2.088 20 0 GEADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000433307969 532562947 /nfs/dbraw/zinc/56/29/47/532562947.db2.gz XAIUEEQQLKMDOH-INIZCTEOSA-N 2 2 380.330 2.088 20 0 GEADLP Fc1cc(Br)cnc1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000631827314 532564396 /nfs/dbraw/zinc/56/43/96/532564396.db2.gz LHQJZAAETDALCH-UHFFFAOYSA-N 2 2 395.280 2.058 20 0 GEADLP C[N@H+](C[C@H](O)CN(CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1CC1 ZINC000565510789 532567399 /nfs/dbraw/zinc/56/73/99/532567399.db2.gz VCSUGACKIGPESM-HNNXBMFYSA-N 2 2 397.317 2.196 20 0 GEADLP C[N@@H+](C[C@H](O)CN(CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1CC1 ZINC000565510789 532567407 /nfs/dbraw/zinc/56/74/07/532567407.db2.gz VCSUGACKIGPESM-HNNXBMFYSA-N 2 2 397.317 2.196 20 0 GEADLP C[C@H](CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488441 532591379 /nfs/dbraw/zinc/59/13/79/532591379.db2.gz ZRTJRPOQCQJGOX-ZXTQRBJTSA-N 2 2 398.345 2.237 20 0 GEADLP C[C@H](CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488441 532591386 /nfs/dbraw/zinc/59/13/86/532591386.db2.gz ZRTJRPOQCQJGOX-ZXTQRBJTSA-N 2 2 398.345 2.237 20 0 GEADLP CN(CC[N@H+](C)C1CC1)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000473907104 532601940 /nfs/dbraw/zinc/60/19/40/532601940.db2.gz PYYTVVGZNIQVRS-UHFFFAOYSA-N 2 2 380.290 2.332 20 0 GEADLP CN(CC[N@@H+](C)C1CC1)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000473907104 532601942 /nfs/dbraw/zinc/60/19/42/532601942.db2.gz PYYTVVGZNIQVRS-UHFFFAOYSA-N 2 2 380.290 2.332 20 0 GEADLP COc1ccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c(Br)c1 ZINC000530654647 532625592 /nfs/dbraw/zinc/62/55/92/532625592.db2.gz CCIXQVNTLXJZAV-UHFFFAOYSA-N 2 2 384.318 2.214 20 0 GEADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2cccc(O)c2Br)C1=O ZINC000567086971 532639978 /nfs/dbraw/zinc/63/99/78/532639978.db2.gz VGOJIWIPUHXRCD-ZDUSSCGKSA-N 2 2 393.285 2.169 20 0 GEADLP COc1cc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cc(Br)c1OC(F)F ZINC000567110719 532641833 /nfs/dbraw/zinc/64/18/33/532641833.db2.gz ULOJLECSIPSFGL-LLVKDONJSA-N 2 2 394.260 2.134 20 0 GEADLP COc1cc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cc(Br)c1OC(F)F ZINC000567110719 532641837 /nfs/dbraw/zinc/64/18/37/532641837.db2.gz ULOJLECSIPSFGL-LLVKDONJSA-N 2 2 394.260 2.134 20 0 GEADLP O=C(CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1)Nc1cccc(Br)c1 ZINC000532981180 532660226 /nfs/dbraw/zinc/66/02/26/532660226.db2.gz AVNMFKLWJLFOED-UHFFFAOYSA-N 2 2 392.301 2.319 20 0 GEADLP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3nc4ccccn4c3Br)C2)CC1 ZINC000377543112 532661119 /nfs/dbraw/zinc/66/11/19/532661119.db2.gz PLROWHWUXUXNID-AWEZNQCLSA-N 2 2 392.345 2.355 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NCc3nc4ccccn4c3Br)C2)CC1 ZINC000377543112 532661130 /nfs/dbraw/zinc/66/11/30/532661130.db2.gz PLROWHWUXUXNID-AWEZNQCLSA-N 2 2 392.345 2.355 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NCc3nc4ccccn4c3Br)C2)CC1 ZINC000377543112 532661137 /nfs/dbraw/zinc/66/11/37/532661137.db2.gz PLROWHWUXUXNID-AWEZNQCLSA-N 2 2 392.345 2.355 20 0 GEADLP CS(=O)(=O)CC[C@@H]([NH3+])C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000438880862 532679060 /nfs/dbraw/zinc/67/90/60/532679060.db2.gz AMOIZVATCHJBQL-CQSZACIVSA-N 2 2 383.857 2.228 20 0 GEADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCSC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000577061814 532731420 /nfs/dbraw/zinc/73/14/20/532731420.db2.gz UZOIRZZFCLCPQN-IJEWVQPXSA-N 2 2 375.460 2.436 20 0 GEADLP CC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCSC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000577061814 532731425 /nfs/dbraw/zinc/73/14/25/532731425.db2.gz UZOIRZZFCLCPQN-IJEWVQPXSA-N 2 2 375.460 2.436 20 0 GEADLP Brc1cc2c(cc1C[NH+]1CCN(c3[nH]cc[nH+]3)CC1)OCCO2 ZINC000577062094 532731641 /nfs/dbraw/zinc/73/16/41/532731641.db2.gz MCRCHYUXTMAXDL-UHFFFAOYSA-N 2 2 379.258 2.266 20 0 GEADLP CN(C[C@H](O)C[NH+]1CCOCC1)c1cc[nH+]c2cc(Br)ccc21 ZINC000301592638 532755077 /nfs/dbraw/zinc/75/50/77/532755077.db2.gz UKPKFWBPABIRII-AWEZNQCLSA-N 2 2 380.286 2.127 20 0 GEADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000507724109 532759045 /nfs/dbraw/zinc/75/90/45/532759045.db2.gz IXHFRKKXUOSGOB-UHFFFAOYSA-N 2 2 398.345 2.314 20 0 GEADLP C[NH+](C)C1(CNC(=O)NCc2cn3cc(Br)ccc3[nH+]2)CCC1 ZINC000445842742 532753653 /nfs/dbraw/zinc/75/36/53/532753653.db2.gz MEACCGUJDNVLHW-UHFFFAOYSA-N 2 2 380.290 2.380 20 0 GEADLP CC(CC[NH+]1CC[S@@](=O)CC1(C)C)CC[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000411599611 532769724 /nfs/dbraw/zinc/76/97/24/532769724.db2.gz CAJRGFDMGMRESI-DNQXCXABSA-N 2 2 376.632 2.089 20 0 GEADLP CC(CC[NH+]1CC[S@@](=O)CC1(C)C)CC[N@H+]1CC[S@@](=O)CC1(C)C ZINC000411599611 532769727 /nfs/dbraw/zinc/76/97/27/532769727.db2.gz CAJRGFDMGMRESI-DNQXCXABSA-N 2 2 376.632 2.089 20 0 GEADLP O=c1cc(C[NH+]2CCC([NH2+]CC3CC3)CC2)nc2ccc(Br)cn12 ZINC000325870285 532789432 /nfs/dbraw/zinc/78/94/32/532789432.db2.gz KWCOJDAYDLHVAH-UHFFFAOYSA-N 2 2 391.313 2.421 20 0 GEADLP CCOc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc(Br)c1O ZINC000459569249 532796435 /nfs/dbraw/zinc/79/64/35/532796435.db2.gz MCCUTEHCVNUBTD-AWEZNQCLSA-N 2 2 387.318 2.490 20 0 GEADLP CCOc1cc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc(Br)c1O ZINC000459569249 532796439 /nfs/dbraw/zinc/79/64/39/532796439.db2.gz MCCUTEHCVNUBTD-AWEZNQCLSA-N 2 2 387.318 2.490 20 0 GEADLP CC[NH+]1CCC([NH2+]CC(=O)Nc2ccc(I)cc2)CC1 ZINC000551565386 532800155 /nfs/dbraw/zinc/80/01/55/532800155.db2.gz UVDLRBGTTGHQLD-UHFFFAOYSA-N 2 2 387.265 2.304 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)C3CC[NH+](C)CC3)[nH+]c12 ZINC000273441239 532824207 /nfs/dbraw/zinc/82/42/07/532824207.db2.gz YKHWOHCMLUXPGR-UHFFFAOYSA-N 2 2 379.302 2.406 20 0 GEADLP COc1cc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)cc(Br)c1OC(F)F ZINC000414960503 532836271 /nfs/dbraw/zinc/83/62/71/532836271.db2.gz GYILWLLWINRVCC-NSHDSACASA-N 2 2 394.260 2.052 20 0 GEADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3cc4c(c(Br)c3)OCO4)C2)nn1 ZINC000415127444 532838405 /nfs/dbraw/zinc/83/84/05/532838405.db2.gz NCHQMSFNRPRCBS-CYBMUJFWSA-N 2 2 394.273 2.065 20 0 GEADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cc4c(c(Br)c3)OCO4)C2)nn1 ZINC000415127444 532838410 /nfs/dbraw/zinc/83/84/10/532838410.db2.gz NCHQMSFNRPRCBS-CYBMUJFWSA-N 2 2 394.273 2.065 20 0 GEADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000359882442 212122491 /nfs/dbraw/zinc/12/24/91/212122491.db2.gz WFSUVDCODQEPTL-LJQANCHMSA-N 3 2 383.544 2.213 20 0 GEADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000359882442 212122495 /nfs/dbraw/zinc/12/24/95/212122495.db2.gz WFSUVDCODQEPTL-LJQANCHMSA-N 3 2 383.544 2.213 20 0 GEADLP CC(C)c1nccn1C[C@H]1CCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000359882442 212122498 /nfs/dbraw/zinc/12/24/98/212122498.db2.gz WFSUVDCODQEPTL-LJQANCHMSA-N 2 2 383.544 2.213 20 0 GEADLP CC(C)c1nccn1C[C@H]1CCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000359882442 212122502 /nfs/dbraw/zinc/12/25/02/212122502.db2.gz WFSUVDCODQEPTL-LJQANCHMSA-N 2 2 383.544 2.213 20 0 GEADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000333276796 532866259 /nfs/dbraw/zinc/86/62/59/532866259.db2.gz GXYHIQNVZHSZFS-VXGBXAGGSA-N 2 2 398.305 2.072 20 0 GEADLP Brc1cccc2c1CC[C@H]2[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000362632770 532896731 /nfs/dbraw/zinc/89/67/31/532896731.db2.gz BHKGWEHJVHKUSE-HNAYVOBHSA-N 2 2 394.357 2.433 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3ccc(F)cc3Br)C2)CC1 ZINC000366639110 532919560 /nfs/dbraw/zinc/91/95/60/532919560.db2.gz GZQHPRHMCROOAB-HNNXBMFYSA-N 2 2 398.320 2.415 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3ccc(F)cc3Br)C2)CC1 ZINC000366639110 532919561 /nfs/dbraw/zinc/91/95/61/532919561.db2.gz GZQHPRHMCROOAB-HNNXBMFYSA-N 2 2 398.320 2.415 20 0 GEADLP C[N@@H+]1CCC[C@@H](N2CCN(Cc3c[nH+]c4ccc(Br)cn34)CC2)C1 ZINC000367472931 532925459 /nfs/dbraw/zinc/92/54/59/532925459.db2.gz YZAOTIFBGUEPJK-MRXNPFEDSA-N 2 2 392.345 2.309 20 0 GEADLP C[N@H+]1CCC[C@@H](N2CCN(Cc3c[nH+]c4ccc(Br)cn34)CC2)C1 ZINC000367472931 532925460 /nfs/dbraw/zinc/92/54/60/532925460.db2.gz YZAOTIFBGUEPJK-MRXNPFEDSA-N 2 2 392.345 2.309 20 0 GEADLP Cc1cc(Br)ccc1C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000367888252 532928648 /nfs/dbraw/zinc/92/86/48/532928648.db2.gz XJLCOSSYJWCSBA-UHFFFAOYSA-N 2 2 383.330 2.417 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(F)ccc3Br)C2)CC1 ZINC000369279133 532937785 /nfs/dbraw/zinc/93/77/85/532937785.db2.gz VUHGHFJOIZKSQY-CYBMUJFWSA-N 2 2 384.293 2.487 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(F)ccc3Br)C2)CC1 ZINC000369279133 532937787 /nfs/dbraw/zinc/93/77/87/532937787.db2.gz VUHGHFJOIZKSQY-CYBMUJFWSA-N 2 2 384.293 2.487 20 0 GEADLP CCc1ccc(C[NH2+]C[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cc1 ZINC000515237844 570508172 /nfs/dbraw/zinc/50/81/72/570508172.db2.gz GDXIORJTUNFKBB-FQEVSTJZSA-N 2 2 395.551 2.185 20 0 GEADLP C[C@@H]1C[NH+](C(C)(C)CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C[C@@H](C)O1 ZINC000736290839 599261100 /nfs/dbraw/zinc/26/11/00/599261100.db2.gz KAMIMGLDFYRQEP-ZIAGYGMSSA-N 2 2 381.484 2.137 20 0 GEADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2c1 ZINC000737247979 599264246 /nfs/dbraw/zinc/26/42/46/599264246.db2.gz CJJSYNXSFCVGQK-IYBDPMFKSA-N 2 2 395.511 2.365 20 0 GEADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2c1 ZINC000737247979 599264248 /nfs/dbraw/zinc/26/42/48/599264248.db2.gz CJJSYNXSFCVGQK-IYBDPMFKSA-N 2 2 395.511 2.365 20 0 GEADLP Cc1cccc2c(NCC(C)(C)[NH+]3C[C@@H](C)O[C@H](C)C3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737410241 599265734 /nfs/dbraw/zinc/26/57/34/599265734.db2.gz QOACXQZKEBPOQO-HUUCEWRRSA-N 2 2 395.511 2.445 20 0 GEADLP C[NH+](C)[C@H]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000736761351 598601906 /nfs/dbraw/zinc/60/19/06/598601906.db2.gz DPXXWLIIXJVNIS-JTQLQIEISA-N 2 2 375.383 2.157 20 0 GEADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1cnc3ccc(-c4nn[nH]n4)cn13)C2 ZINC000735652417 599488171 /nfs/dbraw/zinc/48/81/71/599488171.db2.gz KGOGYHWSADVNPD-CQSZACIVSA-N 2 2 391.483 2.113 20 0 GEADLP CC[C@@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)CC[N@@H+]1CCOC ZINC000820994692 599533661 /nfs/dbraw/zinc/53/36/61/599533661.db2.gz KGSCNXQGGAVBDF-OAHLLOKOSA-N 2 2 381.484 2.270 20 0 GEADLP CC[C@@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)CC[N@H+]1CCOC ZINC000820994692 599533662 /nfs/dbraw/zinc/53/36/62/599533662.db2.gz KGSCNXQGGAVBDF-OAHLLOKOSA-N 2 2 381.484 2.270 20 0 GEADLP C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000824046774 607476730 /nfs/dbraw/zinc/47/67/30/607476730.db2.gz UZMIDWFJWOIMPX-SPYBWZPUSA-N 2 2 395.511 2.142 20 0 GEADLP C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000824046774 607476731 /nfs/dbraw/zinc/47/67/31/607476731.db2.gz UZMIDWFJWOIMPX-SPYBWZPUSA-N 2 2 395.511 2.142 20 0 GEADLP C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000824046774 607476732 /nfs/dbraw/zinc/47/67/32/607476732.db2.gz UZMIDWFJWOIMPX-SPYBWZPUSA-N 2 2 395.511 2.142 20 0 GEADLP C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000824046774 607476733 /nfs/dbraw/zinc/47/67/33/607476733.db2.gz UZMIDWFJWOIMPX-SPYBWZPUSA-N 2 2 395.511 2.142 20 0 GEADLP Cc1cc(C)c(-c2nn[nH]n2)c(NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)[nH+]1 ZINC000822206964 606101634 /nfs/dbraw/zinc/10/16/34/606101634.db2.gz GIAKTAVOZNNTSL-UHFFFAOYSA-N 2 2 379.472 2.366 20 0 GEADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)c2c1 ZINC000822195068 606227538 /nfs/dbraw/zinc/22/75/38/606227538.db2.gz GBJXMCGOBXXIOR-MAUKXSAKSA-N 2 2 393.495 2.189 20 0 GEADLP Cc1cccnc1C[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000826308050 608258920 /nfs/dbraw/zinc/25/89/20/608258920.db2.gz HDWRYMKVDSHGDZ-UHFFFAOYSA-N 2 2 386.463 2.441 20 0 GEADLP CCC[C@@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC[N@@H+]1CCOC ZINC000825261324 608303893 /nfs/dbraw/zinc/30/38/93/608303893.db2.gz WTPRANIBGUFHQV-OAHLLOKOSA-N 2 2 381.484 2.352 20 0 GEADLP CCC[C@@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC[N@H+]1CCOC ZINC000825261324 608303894 /nfs/dbraw/zinc/30/38/94/608303894.db2.gz WTPRANIBGUFHQV-OAHLLOKOSA-N 2 2 381.484 2.352 20 0 GEADLP Cc1nn(-c2ccccc2)c(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1-c1nn[nH]n1 ZINC000826332064 608314742 /nfs/dbraw/zinc/31/47/42/608314742.db2.gz IREWVPAOFMKTJU-INIZCTEOSA-N 2 2 380.500 2.134 20 0 GEADLP Cc1nn(-c2ccccc2)c(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1-c1nn[nH]n1 ZINC000826332064 608314744 /nfs/dbraw/zinc/31/47/44/608314744.db2.gz IREWVPAOFMKTJU-INIZCTEOSA-N 2 2 380.500 2.134 20 0 GEADLP Cc1nn(-c2ccccc2)c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000826332090 608315114 /nfs/dbraw/zinc/31/51/14/608315114.db2.gz JQRMHXJGKBFKOB-WMLDXEAASA-N 2 2 380.500 2.275 20 0 GEADLP Cc1nn(-c2ccccc2)c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000826332090 608315116 /nfs/dbraw/zinc/31/51/16/608315116.db2.gz JQRMHXJGKBFKOB-WMLDXEAASA-N 2 2 380.500 2.275 20 0 GEADLP c1cc2c(cc1-c1nn[nH]n1)CCC[C@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000826518194 608510138 /nfs/dbraw/zinc/51/01/38/608510138.db2.gz FEKQAVGOJCJOHV-LJQANCHMSA-N 2 2 382.512 2.479 20 0 GEADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000825754816 608689736 /nfs/dbraw/zinc/68/97/36/608689736.db2.gz IAYIYHRNUKRNGN-OAHLLOKOSA-N 2 2 377.456 2.110 20 0 GEADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000825754816 608689741 /nfs/dbraw/zinc/68/97/41/608689741.db2.gz IAYIYHRNUKRNGN-OAHLLOKOSA-N 2 2 377.456 2.110 20 0 GEADLP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824624964 609327543 /nfs/dbraw/zinc/32/75/43/609327543.db2.gz CXKCVFBBBUYSAR-AWEZNQCLSA-N 2 2 396.474 2.003 20 0 GEADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(F)c(I)c1 ZINC000453193409 650206798 /nfs/dbraw/zinc/20/67/98/650206798.db2.gz HTVSYFVCEFWCAU-HZMBPMFUSA-N 2 2 378.229 2.148 20 0 GEADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(F)c(I)c1 ZINC000453193409 650206800 /nfs/dbraw/zinc/20/68/00/650206800.db2.gz HTVSYFVCEFWCAU-HZMBPMFUSA-N 2 2 378.229 2.148 20 0 GEADLP O=C(C[NH+]1CCCC1)N1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000489146159 650755255 /nfs/dbraw/zinc/75/52/55/650755255.db2.gz GCTOQLYDLLYBNR-UHFFFAOYSA-N 2 2 396.329 2.068 20 0 GEADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(=O)n3cc(Br)ccc3n2)CC[N@@H+]1C ZINC000533311227 650760046 /nfs/dbraw/zinc/76/00/46/650760046.db2.gz MLMYRZAHKBLIBZ-IUODEOHRSA-N 2 2 379.302 2.372 20 0 GEADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(=O)n3cc(Br)ccc3n2)CC[N@H+]1C ZINC000533311227 650760051 /nfs/dbraw/zinc/76/00/51/650760051.db2.gz MLMYRZAHKBLIBZ-IUODEOHRSA-N 2 2 379.302 2.372 20 0 GEADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)CC[NH+]1C ZINC000533311227 650760055 /nfs/dbraw/zinc/76/00/55/650760055.db2.gz MLMYRZAHKBLIBZ-IUODEOHRSA-N 2 2 379.302 2.372 20 0 GEADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)CC[NH+]1C ZINC000533311227 650760058 /nfs/dbraw/zinc/76/00/58/650760058.db2.gz MLMYRZAHKBLIBZ-IUODEOHRSA-N 2 2 379.302 2.372 20 0 GEADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000534846821 650781234 /nfs/dbraw/zinc/78/12/34/650781234.db2.gz QSJUEUBGEGYALO-CYBMUJFWSA-N 2 2 385.295 2.289 20 0 GEADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185865141 645055476 /nfs/dbraw/zinc/05/54/76/645055476.db2.gz COWIQMVKVZJLNT-CYBMUJFWSA-N 2 2 395.139 2.196 20 0 GEADLP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c(Br)c1 ZINC000271857126 646235213 /nfs/dbraw/zinc/23/52/13/646235213.db2.gz JOQGIVVJXPUOEN-LRDDRELGSA-N 2 2 384.318 2.448 20 0 GEADLP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c(Br)c1 ZINC000271857126 646235220 /nfs/dbraw/zinc/23/52/20/646235220.db2.gz JOQGIVVJXPUOEN-LRDDRELGSA-N 2 2 384.318 2.448 20 0 GEADLP C[C@@]1(O)CC[N@H+](Cc2ccc(Br)cc2C[NH+]2CC[C@](C)(O)C2)C1 ZINC000277504535 646432685 /nfs/dbraw/zinc/43/26/85/646432685.db2.gz OEFHCFQWVNQKMT-MSOLQXFVSA-N 2 2 383.330 2.363 20 0 GEADLP C[C@@]1(O)CC[N@@H+](Cc2ccc(Br)cc2C[NH+]2CC[C@](C)(O)C2)C1 ZINC000277504535 646432688 /nfs/dbraw/zinc/43/26/88/646432688.db2.gz OEFHCFQWVNQKMT-MSOLQXFVSA-N 2 2 383.330 2.363 20 0 GEADLP C[C@@]1(O)CC[NH+](Cc2ccc(Br)cc2C[N@@H+]2CC[C@](C)(O)C2)C1 ZINC000277504535 646432689 /nfs/dbraw/zinc/43/26/89/646432689.db2.gz OEFHCFQWVNQKMT-MSOLQXFVSA-N 2 2 383.330 2.363 20 0 GEADLP C[C@@]1(O)CC[NH+](Cc2ccc(Br)cc2C[N@H+]2CC[C@](C)(O)C2)C1 ZINC000277504535 646432692 /nfs/dbraw/zinc/43/26/92/646432692.db2.gz OEFHCFQWVNQKMT-MSOLQXFVSA-N 2 2 383.330 2.363 20 0 GEADLP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)c(S(N)(=O)=O)c2)CC1 ZINC000280720699 646709556 /nfs/dbraw/zinc/70/95/56/646709556.db2.gz NEVIMQNZPOXTNE-LLVKDONJSA-N 2 2 390.347 2.231 20 0 GEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280756382 646713136 /nfs/dbraw/zinc/71/31/36/646713136.db2.gz QGTUPERQPVBDLX-MNOVXSKESA-N 2 2 387.303 2.032 20 0 GEADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(I)cc2)C[C@H]1C[NH3+] ZINC000420381465 648415145 /nfs/dbraw/zinc/41/51/45/648415145.db2.gz PBQSCSQOBFDGSC-NWDGAFQWSA-N 2 2 387.265 2.146 20 0 GEADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(I)cc2)C[C@H]1C[NH3+] ZINC000420381465 648415148 /nfs/dbraw/zinc/41/51/48/648415148.db2.gz PBQSCSQOBFDGSC-NWDGAFQWSA-N 2 2 387.265 2.146 20 0 GEADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(I)cc2)C[C@H]1C[NH3+] ZINC000420381761 648415289 /nfs/dbraw/zinc/41/52/89/648415289.db2.gz PBQSCSQOBFDGSC-VXGBXAGGSA-N 2 2 387.265 2.146 20 0 GEADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(I)cc2)C[C@H]1C[NH3+] ZINC000420381761 648415294 /nfs/dbraw/zinc/41/52/94/648415294.db2.gz PBQSCSQOBFDGSC-VXGBXAGGSA-N 2 2 387.265 2.146 20 0 GEADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3nn(C)cc3Br)CC2)CC1 ZINC000420976940 648460989 /nfs/dbraw/zinc/46/09/89/648460989.db2.gz HJZSARMLLHZALO-UHFFFAOYSA-N 2 2 384.366 2.175 20 0 GEADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3nn(C)cc3Br)CC2)CC1 ZINC000420976940 648460995 /nfs/dbraw/zinc/46/09/95/648460995.db2.gz HJZSARMLLHZALO-UHFFFAOYSA-N 2 2 384.366 2.175 20 0 GEADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccncc3Br)CC2)CC1 ZINC000422022594 648518417 /nfs/dbraw/zinc/51/84/17/648518417.db2.gz OXIARAKRQLCAQW-UHFFFAOYSA-N 2 2 395.345 2.476 20 0 GEADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccncc3Br)CC2)CC1 ZINC000422022594 648518422 /nfs/dbraw/zinc/51/84/22/648518422.db2.gz OXIARAKRQLCAQW-UHFFFAOYSA-N 2 2 395.345 2.476 20 0 GEADLP O[C@H](C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)COc1cccc(Cl)c1Cl ZINC000422903711 648576297 /nfs/dbraw/zinc/57/62/97/648576297.db2.gz OXINYEISNFNOCD-ISTRZQFTSA-N 2 2 375.296 2.090 20 0 GEADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000423154847 648585046 /nfs/dbraw/zinc/58/50/46/648585046.db2.gz KDKHQUGLTKWETJ-IOASZLSFSA-N 2 2 389.309 2.096 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=S)NCCSc3ccccc3)C2)CC1 ZINC000732719820 651671872 /nfs/dbraw/zinc/67/18/72/651671872.db2.gz AKXCWMGVHORQQW-INIZCTEOSA-N 2 2 378.611 2.411 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=S)NCCSc3ccccc3)C2)CC1 ZINC000732719820 651671876 /nfs/dbraw/zinc/67/18/76/651671876.db2.gz AKXCWMGVHORQQW-INIZCTEOSA-N 2 2 378.611 2.411 20 0 GEADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000572194323 651878381 /nfs/dbraw/zinc/87/83/81/651878381.db2.gz HMHMAGFSDKYBEV-HNNXBMFYSA-N 2 2 379.302 2.373 20 0 GEADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000572194323 651878384 /nfs/dbraw/zinc/87/83/84/651878384.db2.gz HMHMAGFSDKYBEV-HNNXBMFYSA-N 2 2 379.302 2.373 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000617763702 651971149 /nfs/dbraw/zinc/97/11/49/651971149.db2.gz XWDRSAKIPFVSLM-HNNXBMFYSA-N 2 2 398.345 2.315 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000617763702 651971152 /nfs/dbraw/zinc/97/11/52/651971152.db2.gz XWDRSAKIPFVSLM-HNNXBMFYSA-N 2 2 398.345 2.315 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(F)c(F)cc1Br ZINC000617765756 651971704 /nfs/dbraw/zinc/97/17/04/651971704.db2.gz OZWXEVOKDJGWHJ-UHFFFAOYSA-N 2 2 378.261 2.341 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(F)c(F)cc1Br ZINC000617765756 651971708 /nfs/dbraw/zinc/97/17/08/651971708.db2.gz OZWXEVOKDJGWHJ-UHFFFAOYSA-N 2 2 378.261 2.341 20 0 GEADLP CCCOc1c(Br)cc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cc1OC ZINC000574878221 652048992 /nfs/dbraw/zinc/04/89/92/652048992.db2.gz QEPDSWXKGIBUNC-CQSZACIVSA-N 2 2 386.334 2.321 20 0 GEADLP CCCOc1c(Br)cc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cc1OC ZINC000574878221 652048999 /nfs/dbraw/zinc/04/89/99/652048999.db2.gz QEPDSWXKGIBUNC-CQSZACIVSA-N 2 2 386.334 2.321 20 0 GEADLP COc1cc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(Br)cn1 ZINC000621270652 652140602 /nfs/dbraw/zinc/14/06/02/652140602.db2.gz HAESVPPKUJZXMJ-UHFFFAOYSA-N 2 2 385.350 2.311 20 0 GEADLP COc1cc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(Br)cn1 ZINC000621270652 652140609 /nfs/dbraw/zinc/14/06/09/652140609.db2.gz HAESVPPKUJZXMJ-UHFFFAOYSA-N 2 2 385.350 2.311 20 0 GEADLP C[NH+]1CCN(c2cc(C[NH2+]Cc3c(F)cncc3Br)ccn2)CC1 ZINC000657314041 652161000 /nfs/dbraw/zinc/16/10/00/652161000.db2.gz QKBZTDIMZMHVGI-UHFFFAOYSA-N 2 2 394.292 2.420 20 0 GEADLP Cc1c(Br)cncc1C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000657341317 652162363 /nfs/dbraw/zinc/16/23/63/652162363.db2.gz URYDIKGMGFRGDW-MRXNPFEDSA-N 2 2 383.334 2.185 20 0 GEADLP Cc1c(Br)cncc1C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000657341317 652162375 /nfs/dbraw/zinc/16/23/75/652162375.db2.gz URYDIKGMGFRGDW-MRXNPFEDSA-N 2 2 383.334 2.185 20 0 GEADLP Brc1c[nH+]c(NCc2c[nH+]c3n2CCC3)cc1N1CCOCC1 ZINC000657486500 652166705 /nfs/dbraw/zinc/16/67/05/652166705.db2.gz CMAWJQPXAVSYEH-UHFFFAOYSA-N 2 2 378.274 2.436 20 0 GEADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000658332641 652254689 /nfs/dbraw/zinc/25/46/89/652254689.db2.gz DTVCDBVWKIGBOW-LBPRGKRZSA-N 2 2 389.327 2.320 20 0 GEADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000658332641 652254691 /nfs/dbraw/zinc/25/46/91/652254691.db2.gz DTVCDBVWKIGBOW-LBPRGKRZSA-N 2 2 389.327 2.320 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000658429198 652271187 /nfs/dbraw/zinc/27/11/87/652271187.db2.gz UEMDNYRJJZKDMO-UHFFFAOYSA-N 2 2 393.290 2.071 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000658429198 652271195 /nfs/dbraw/zinc/27/11/95/652271195.db2.gz UEMDNYRJJZKDMO-UHFFFAOYSA-N 2 2 393.290 2.071 20 0 GEADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000578979769 652308628 /nfs/dbraw/zinc/30/86/28/652308628.db2.gz LEZTVDOWLVFVDJ-MRXNPFEDSA-N 2 2 384.318 2.478 20 0 GEADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000578979769 652308638 /nfs/dbraw/zinc/30/86/38/652308638.db2.gz LEZTVDOWLVFVDJ-MRXNPFEDSA-N 2 2 384.318 2.478 20 0 GEADLP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000659322643 652353952 /nfs/dbraw/zinc/35/39/52/652353952.db2.gz PRITWUQPMCOXLS-LBPRGKRZSA-N 2 2 393.310 2.296 20 0 GEADLP O[C@@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662160149 652450001 /nfs/dbraw/zinc/45/00/01/652450001.db2.gz MTOLYYXSRGEQGJ-HUUCEWRRSA-N 2 2 389.323 2.264 20 0 GEADLP O[C@@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662160149 652450003 /nfs/dbraw/zinc/45/00/03/652450003.db2.gz MTOLYYXSRGEQGJ-HUUCEWRRSA-N 2 2 389.323 2.264 20 0 GEADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000662287024 652455203 /nfs/dbraw/zinc/45/52/03/652455203.db2.gz QBVRBRKUZYFVQA-MRXNPFEDSA-N 2 2 386.323 2.361 20 0 GEADLP C[NH2+][C@@H](C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)c1cccc(Cl)c1Cl ZINC000662479132 652463444 /nfs/dbraw/zinc/46/34/44/652463444.db2.gz COVDIODQHAJJNQ-SUMWQHHRSA-N 2 2 387.355 2.254 20 0 GEADLP [NH3+]C[C@H]1C[N@H+](Cc2cc(Br)c3c(c2)OCCO3)CC12CCOCC2 ZINC000582965834 652468794 /nfs/dbraw/zinc/46/87/94/652468794.db2.gz XWSURGMZTBJQJB-AWEZNQCLSA-N 2 2 397.313 2.408 20 0 GEADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Br)c3c(c2)OCCO3)CC12CCOCC2 ZINC000582965834 652468796 /nfs/dbraw/zinc/46/87/96/652468796.db2.gz XWSURGMZTBJQJB-AWEZNQCLSA-N 2 2 397.313 2.408 20 0 GEADLP Cc1nc(NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c(Br)c(C)[nH+]1 ZINC000663521756 652502737 /nfs/dbraw/zinc/50/27/37/652502737.db2.gz OGEDTLPLQQBBAA-CYBMUJFWSA-N 2 2 384.322 2.211 20 0 GEADLP Cc1nc(NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c(Br)c(C)[nH+]1 ZINC000663521756 652502738 /nfs/dbraw/zinc/50/27/38/652502738.db2.gz OGEDTLPLQQBBAA-CYBMUJFWSA-N 2 2 384.322 2.211 20 0 GEADLP Cc1c(Br)cccc1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000665252603 652549313 /nfs/dbraw/zinc/54/93/13/652549313.db2.gz UEABPCPPXKMWIN-UHFFFAOYSA-N 2 2 385.350 2.440 20 0 GEADLP Cc1c(Br)cccc1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000665252603 652549320 /nfs/dbraw/zinc/54/93/20/652549320.db2.gz UEABPCPPXKMWIN-UHFFFAOYSA-N 2 2 385.350 2.440 20 0 GEADLP COc1cc(Br)cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000666479109 652578026 /nfs/dbraw/zinc/57/80/26/652578026.db2.gz LAHYZQDXVPSKFV-UHFFFAOYSA-N 2 2 387.322 2.463 20 0 GEADLP COc1cc(Br)cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000666479109 652578033 /nfs/dbraw/zinc/57/80/33/652578033.db2.gz LAHYZQDXVPSKFV-UHFFFAOYSA-N 2 2 387.322 2.463 20 0 GEADLP Cc1csc([C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C(F)(F)F)n1 ZINC000667160418 652594892 /nfs/dbraw/zinc/59/48/92/652594892.db2.gz XUMWRKIAWIWRFW-LBPRGKRZSA-N 2 2 381.468 2.238 20 0 GEADLP Cc1csc([C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C(F)(F)F)n1 ZINC000667160418 652594895 /nfs/dbraw/zinc/59/48/95/652594895.db2.gz XUMWRKIAWIWRFW-LBPRGKRZSA-N 2 2 381.468 2.238 20 0 GEADLP C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000634727487 652660611 /nfs/dbraw/zinc/66/06/11/652660611.db2.gz WUPRHUHALJTHFN-RYUDHWBXSA-N 2 2 386.327 2.129 20 0 GEADLP Cc1cc(Br)cn2c(CN3CCC([N@@H+]4CC[C@H](O)C4)CC3)c[nH+]c12 ZINC000668739001 652665222 /nfs/dbraw/zinc/66/52/22/652665222.db2.gz HYHONWKIZNLIGT-KRWDZBQOSA-N 2 2 393.329 2.436 20 0 GEADLP Cc1cc(Br)cn2c(CN3CCC([N@H+]4CC[C@H](O)C4)CC3)c[nH+]c12 ZINC000668739001 652665234 /nfs/dbraw/zinc/66/52/34/652665234.db2.gz HYHONWKIZNLIGT-KRWDZBQOSA-N 2 2 393.329 2.436 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)NC[C@@H]3CCCC[NH2+]3)[nH+]c12 ZINC000669559031 652705541 /nfs/dbraw/zinc/70/55/41/652705541.db2.gz VZFJBKLNQWHLIL-AWEZNQCLSA-N 2 2 394.317 2.389 20 0 GEADLP NS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000638345435 652886553 /nfs/dbraw/zinc/88/65/53/652886553.db2.gz SBORECKDGKYESP-UHFFFAOYSA-N 2 2 379.551 2.192 20 0 GEADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cnn3cc(Br)cnc23)CCCO1 ZINC000639120031 652919922 /nfs/dbraw/zinc/91/99/22/652919922.db2.gz LAMGPMXATMYMNN-ZDUSSCGKSA-N 2 2 382.306 2.082 20 0 GEADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cnn3cc(Br)cnc23)CCCO1 ZINC000639120031 652919928 /nfs/dbraw/zinc/91/99/28/652919928.db2.gz LAMGPMXATMYMNN-ZDUSSCGKSA-N 2 2 382.306 2.082 20 0 GEADLP COc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000602204994 653157728 /nfs/dbraw/zinc/15/77/28/653157728.db2.gz MTCWOFKYEHLDSL-CYBMUJFWSA-N 2 2 396.329 2.356 20 0 GEADLP COc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000602204994 653157734 /nfs/dbraw/zinc/15/77/34/653157734.db2.gz MTCWOFKYEHLDSL-CYBMUJFWSA-N 2 2 396.329 2.356 20 0 GEADLP Brc1cc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cs1 ZINC000641789610 653234308 /nfs/dbraw/zinc/23/43/08/653234308.db2.gz NCLIACXXETUEDF-HNNXBMFYSA-N 2 2 388.375 2.397 20 0 GEADLP Brc1cccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000641789577 653234314 /nfs/dbraw/zinc/23/43/14/653234314.db2.gz LKXQWKQDWNMMCR-GOSISDBHSA-N 2 2 382.346 2.335 20 0 GEADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc(Br)c(Br)s2)C1 ZINC000702566920 653319795 /nfs/dbraw/zinc/31/97/95/653319795.db2.gz PXWOZGOYANWMPA-NSHDSACASA-N 2 2 384.137 2.429 20 0 GEADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc(Br)c(Br)s2)C1 ZINC000702566920 653319798 /nfs/dbraw/zinc/31/97/98/653319798.db2.gz PXWOZGOYANWMPA-NSHDSACASA-N 2 2 384.137 2.429 20 0 GEADLP COC(=O)c1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1Br ZINC000877359532 653478559 /nfs/dbraw/zinc/47/85/59/653478559.db2.gz HOIHOWZTBPYIMS-UHFFFAOYSA-N 2 2 385.302 2.172 20 0 GEADLP Cn1nc(Br)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000785476354 653709832 /nfs/dbraw/zinc/70/98/32/653709832.db2.gz YCFUXLYOJJTDIF-DOTOQJQBSA-N 2 2 393.329 2.155 20 0 GEADLP Cn1nc(Br)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000785476354 653709833 /nfs/dbraw/zinc/70/98/33/653709833.db2.gz YCFUXLYOJJTDIF-DOTOQJQBSA-N 2 2 393.329 2.155 20 0 GEADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3[nH]nc(C)c3Br)CC2)CC1 ZINC000817659104 653716989 /nfs/dbraw/zinc/71/69/89/653716989.db2.gz PKCGBCOHWNAJPM-UHFFFAOYSA-N 2 2 398.349 2.113 20 0 GEADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3[nH]nc(C)c3Br)CC2)CC1 ZINC000817659104 653716990 /nfs/dbraw/zinc/71/69/90/653716990.db2.gz PKCGBCOHWNAJPM-UHFFFAOYSA-N 2 2 398.349 2.113 20 0 GEADLP COCC[N@@H+]1CC[C@@H](Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)C1 ZINC000786976408 653732341 /nfs/dbraw/zinc/73/23/41/653732341.db2.gz HEEMMJKYUOCRHK-MRXNPFEDSA-N 2 2 397.361 2.334 20 0 GEADLP COCC[N@H+]1CC[C@@H](Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)C1 ZINC000786976408 653732342 /nfs/dbraw/zinc/73/23/42/653732342.db2.gz HEEMMJKYUOCRHK-MRXNPFEDSA-N 2 2 397.361 2.334 20 0 GEADLP C[C@](O)(C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Br)cc1F ZINC000818986264 653739901 /nfs/dbraw/zinc/73/99/01/653739901.db2.gz JSUDZEBGDKUHBY-KEYYUXOJSA-N 2 2 387.293 2.249 20 0 GEADLP C[C@](O)(C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Br)cc1F ZINC000818986264 653739902 /nfs/dbraw/zinc/73/99/02/653739902.db2.gz JSUDZEBGDKUHBY-KEYYUXOJSA-N 2 2 387.293 2.249 20 0 GEADLP C[C@](O)(C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Br)cc1F ZINC000818986263 653739906 /nfs/dbraw/zinc/73/99/06/653739906.db2.gz JSUDZEBGDKUHBY-CPUCHLNUSA-N 2 2 387.293 2.249 20 0 GEADLP C[C@](O)(C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Br)cc1F ZINC000818986263 653739907 /nfs/dbraw/zinc/73/99/07/653739907.db2.gz JSUDZEBGDKUHBY-CPUCHLNUSA-N 2 2 387.293 2.249 20 0 GEADLP [NH3+]CCCCCCC[NH+]1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000842471654 653757594 /nfs/dbraw/zinc/75/75/94/653757594.db2.gz OXTDUWIVVDEDON-UHFFFAOYSA-N 2 2 375.485 2.180 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=S)NCc1ccc(Br)cc1 ZINC000849279926 654009906 /nfs/dbraw/zinc/00/99/06/654009906.db2.gz LYXNVBXZDLPORG-UHFFFAOYSA-N 2 2 387.391 2.297 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=S)NCc1ccc(Br)cc1 ZINC000849279926 654009911 /nfs/dbraw/zinc/00/99/11/654009911.db2.gz LYXNVBXZDLPORG-UHFFFAOYSA-N 2 2 387.391 2.297 20 0 GEADLP [NH3+][C@@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)c1cccc(Br)c1 ZINC000870862322 654200838 /nfs/dbraw/zinc/20/08/38/654200838.db2.gz JXHVFUZCHQTLEZ-MRXNPFEDSA-N 2 2 377.286 2.341 20 0 GEADLP O=C(NCC[N@@H+]1CCc2sccc2C1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870873104 654201619 /nfs/dbraw/zinc/20/16/19/654201619.db2.gz YXIXVZWXEHKLHV-UHFFFAOYSA-N 2 2 376.551 2.460 20 0 GEADLP O=C(NCC[N@H+]1CCc2sccc2C1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870873104 654201623 /nfs/dbraw/zinc/20/16/23/654201623.db2.gz YXIXVZWXEHKLHV-UHFFFAOYSA-N 2 2 376.551 2.460 20 0 GEADLP COc1cc(Cl)c(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1Cl ZINC000872255766 654320269 /nfs/dbraw/zinc/32/02/69/654320269.db2.gz MOUFXUNRGYYIHM-XFJVYGCCSA-N 2 2 386.279 2.369 20 0 GEADLP COc1cc(Cl)c(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1Cl ZINC000872255766 654320274 /nfs/dbraw/zinc/32/02/74/654320274.db2.gz MOUFXUNRGYYIHM-XFJVYGCCSA-N 2 2 386.279 2.369 20 0 GEADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cccc(F)c1I ZINC000873045167 654411951 /nfs/dbraw/zinc/41/19/51/654411951.db2.gz CHLITIMFJBTKSZ-GFCCVEGCSA-N 2 2 391.272 2.156 20 0 GEADLP Cn1cc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c(I)n1 ZINC000894199539 654455061 /nfs/dbraw/zinc/45/50/61/654455061.db2.gz LOZRHRTULCYOAH-GFCCVEGCSA-N 2 2 387.269 2.426 20 0 GEADLP Cn1nc(Br)nc1C[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000894224972 654457669 /nfs/dbraw/zinc/45/76/69/654457669.db2.gz ISFJTHNMYMEQIN-UHFFFAOYSA-N 2 2 382.306 2.198 20 0 GEADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(Br)n1 ZINC000924902185 654528449 /nfs/dbraw/zinc/52/84/49/654528449.db2.gz NBWMFPQRXVJJBY-DZGCQCFKSA-N 2 2 383.334 2.437 20 0 GEADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(Br)n1 ZINC000924902185 654528453 /nfs/dbraw/zinc/52/84/53/654528453.db2.gz NBWMFPQRXVJJBY-DZGCQCFKSA-N 2 2 383.334 2.437 20 0 GEADLP O=S(=O)(N1CCC(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1)C(F)(F)F ZINC000925041064 654532339 /nfs/dbraw/zinc/53/23/39/654532339.db2.gz TVVWBIWWXIFKRA-GJZGRUSLSA-N 2 2 383.480 2.155 20 0 GEADLP O=S(=O)(N1CCC(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1)C(F)(F)F ZINC000925041064 654532346 /nfs/dbraw/zinc/53/23/46/654532346.db2.gz TVVWBIWWXIFKRA-GJZGRUSLSA-N 2 2 383.480 2.155 20 0 GEADLP C[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cccc(Br)n1 ZINC000926868708 654583959 /nfs/dbraw/zinc/58/39/59/654583959.db2.gz ZCMVCFJUGNCQQV-CVEARBPZSA-N 2 2 397.361 2.291 20 0 GEADLP Cc1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cnc1Br ZINC000932713647 654786373 /nfs/dbraw/zinc/78/63/73/654786373.db2.gz QGZBGBSTWVCEOF-UHFFFAOYSA-N 2 2 383.334 2.251 20 0 GEADLP Cc1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cnc1Br ZINC000932713647 654786376 /nfs/dbraw/zinc/78/63/76/654786376.db2.gz QGZBGBSTWVCEOF-UHFFFAOYSA-N 2 2 383.334 2.251 20 0 GEADLP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C[C@]2(C)C1 ZINC000933732614 654821952 /nfs/dbraw/zinc/82/19/52/654821952.db2.gz UYFXSDOONRQZFZ-QBIMZIAESA-N 2 2 378.314 2.438 20 0 GEADLP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C[C@]2(C)C1 ZINC000933732614 654821955 /nfs/dbraw/zinc/82/19/55/654821955.db2.gz UYFXSDOONRQZFZ-QBIMZIAESA-N 2 2 378.314 2.438 20 0 GEADLP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C[C@]2(C)C1 ZINC000933732614 654821958 /nfs/dbraw/zinc/82/19/58/654821958.db2.gz UYFXSDOONRQZFZ-QBIMZIAESA-N 2 2 378.314 2.438 20 0 GEADLP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C[C@]2(C)C1 ZINC000933732614 654821960 /nfs/dbraw/zinc/82/19/60/654821960.db2.gz UYFXSDOONRQZFZ-QBIMZIAESA-N 2 2 378.314 2.438 20 0 GEADLP CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc3c(cc(OC)cc3OC)[nH+]1)CC2 ZINC001164690161 719753369 /nfs/dbraw/zinc/75/33/69/719753369.db2.gz USNWIKLIYJCQMQ-UHFFFAOYSA-N 2 2 398.507 2.433 20 0 GEADLP CNC(=O)C[N@H+]1CCCC12CCN(c1ccc3c(cc(OC)cc3OC)[nH+]1)CC2 ZINC001164690161 719753378 /nfs/dbraw/zinc/75/33/78/719753378.db2.gz USNWIKLIYJCQMQ-UHFFFAOYSA-N 2 2 398.507 2.433 20 0 GEADLP COc1ccc(C)[nH+]c1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740332 720826538 /nfs/dbraw/zinc/82/65/38/720826538.db2.gz KFPGPFRSFDVMLC-GUDVDZBRSA-N 2 2 382.512 2.370 20 0 GEADLP COc1ccc(C)[nH+]c1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740332 720826541 /nfs/dbraw/zinc/82/65/41/720826541.db2.gz KFPGPFRSFDVMLC-GUDVDZBRSA-N 2 2 382.512 2.370 20 0 GEADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164773863 721176442 /nfs/dbraw/zinc/17/64/42/721176442.db2.gz XMYCNOZKEVMICZ-INPAECQJSA-N 2 2 395.507 2.268 20 0 GEADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164773863 721176447 /nfs/dbraw/zinc/17/64/47/721176447.db2.gz XMYCNOZKEVMICZ-INPAECQJSA-N 2 2 395.507 2.268 20 0 GEADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(N5CCCCC5)[nH+]cn4)C[C@@H]3C2)cn1 ZINC001164765026 721194207 /nfs/dbraw/zinc/19/42/07/721194207.db2.gz HNACTAAUGYPITF-OALUTQOASA-N 2 2 381.528 2.159 20 0 GEADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(N5CCCCC5)[nH+]cn4)C[C@@H]3C2)cn1 ZINC001164765026 721194210 /nfs/dbraw/zinc/19/42/10/721194210.db2.gz HNACTAAUGYPITF-OALUTQOASA-N 2 2 381.528 2.159 20 0 GEADLP Cc1cc2c(nc[nH+]c2N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)[nH]1 ZINC001164883688 721399967 /nfs/dbraw/zinc/39/99/67/721399967.db2.gz BWLYUHVLRRJNGF-LAUBAEHRSA-N 2 2 384.528 2.032 20 0 GEADLP c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4ccc5c([nH+]4)CCC5)CCO3)C2)c1 ZINC001164911413 721778414 /nfs/dbraw/zinc/77/84/14/721778414.db2.gz GPBPZNFAPJDYQV-QFIPXVFZSA-N 2 2 380.492 2.073 20 0 GEADLP c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4ccc5c([nH+]4)CCC5)CCO3)C2)c1 ZINC001164911413 721778421 /nfs/dbraw/zinc/77/84/21/721778421.db2.gz GPBPZNFAPJDYQV-QFIPXVFZSA-N 2 2 380.492 2.073 20 0 GEADLP Cc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c2c([nH+]1)CCC2 ZINC001164982603 722135176 /nfs/dbraw/zinc/13/51/76/722135176.db2.gz RRUSWKLRVNEXDM-NQIIRXRSSA-N 2 2 379.508 2.396 20 0 GEADLP Cc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c2c([nH+]1)CCC2 ZINC001164982603 722135179 /nfs/dbraw/zinc/13/51/79/722135179.db2.gz RRUSWKLRVNEXDM-NQIIRXRSSA-N 2 2 379.508 2.396 20 0 GEADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981522 722135564 /nfs/dbraw/zinc/13/55/64/722135564.db2.gz PGAUJSWIFVTMIC-UXHICEINSA-N 2 2 395.507 2.471 20 0 GEADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981522 722135566 /nfs/dbraw/zinc/13/55/66/722135566.db2.gz PGAUJSWIFVTMIC-UXHICEINSA-N 2 2 395.507 2.471 20 0 GEADLP Cn1cc(Br)cc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172752375 531967452 /nfs/dbraw/zinc/96/74/52/531967452.db2.gz MNUXGXDBJAHSPJ-UHFFFAOYSA-N 2 2 397.361 2.468 20 0 GEADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccs2)C1 ZINC000122250624 532062740 /nfs/dbraw/zinc/06/27/40/532062740.db2.gz MQEKKXLQHIIMFK-WBVHZDCISA-N 2 2 379.551 2.452 20 0 GEADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccs2)C1 ZINC000122250624 532062747 /nfs/dbraw/zinc/06/27/47/532062747.db2.gz MQEKKXLQHIIMFK-WBVHZDCISA-N 2 2 379.551 2.452 20 0 GEADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCc2ccc(Br)cc2)CC1 ZINC000175774480 532113672 /nfs/dbraw/zinc/11/36/72/532113672.db2.gz NSGYGUGMMDXLPH-UHFFFAOYSA-N 2 2 397.361 2.317 20 0 GEADLP COCC[N@H+](C)CCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000128375199 532163337 /nfs/dbraw/zinc/16/33/37/532163337.db2.gz WRZPOIPGROCOTK-QGZVFWFLSA-N 2 2 398.345 2.280 20 0 GEADLP COCC[N@@H+](C)CCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000128375199 532163339 /nfs/dbraw/zinc/16/33/39/532163339.db2.gz WRZPOIPGROCOTK-QGZVFWFLSA-N 2 2 398.345 2.280 20 0 GEADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc2c(cc1Br)OCO2 ZINC000182959976 532320102 /nfs/dbraw/zinc/32/01/02/532320102.db2.gz UCXGBSZVKXMGJQ-UHFFFAOYSA-N 2 2 384.318 2.247 20 0 GEADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc2c(cc1Br)OCO2 ZINC000182959976 532320104 /nfs/dbraw/zinc/32/01/04/532320104.db2.gz UCXGBSZVKXMGJQ-UHFFFAOYSA-N 2 2 384.318 2.247 20 0 GEADLP COCC[NH+]1CCC([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000191681311 532362086 /nfs/dbraw/zinc/36/20/86/532362086.db2.gz ZNDJCZWOYCUXTJ-QGZVFWFLSA-N 2 2 396.329 2.255 20 0 GEADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cccc(Br)c2F)CC1 ZINC000294970001 532392404 /nfs/dbraw/zinc/39/24/04/532392404.db2.gz WRYBWWKZMGMLNX-UHFFFAOYSA-N 2 2 386.309 2.478 20 0 GEADLP CC(C)(O)C[N@@H+]1CCCN(Cc2c[nH+]c3ccc(Br)cn23)CC1 ZINC000372644920 532398030 /nfs/dbraw/zinc/39/80/30/532398030.db2.gz YZGIOMFWIUOUOZ-UHFFFAOYSA-N 2 2 381.318 2.375 20 0 GEADLP CC(C)(O)C[N@H+]1CCCN(Cc2c[nH+]c3ccc(Br)cn23)CC1 ZINC000372644920 532398035 /nfs/dbraw/zinc/39/80/35/532398035.db2.gz YZGIOMFWIUOUOZ-UHFFFAOYSA-N 2 2 381.318 2.375 20 0 GEADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccncc3Br)cn2)CC1 ZINC000625152608 532415012 /nfs/dbraw/zinc/41/50/12/532415012.db2.gz YJEKLHIGVCWYLI-UHFFFAOYSA-N 2 2 376.302 2.281 20 0 GEADLP O=C1[C@H]([NH2+]Cc2csc(Cl)c2Cl)CCCN1CC[NH+]1CCOCC1 ZINC000372914719 532419127 /nfs/dbraw/zinc/41/91/27/532419127.db2.gz APOCUQZVJFSDSL-CYBMUJFWSA-N 2 2 392.352 2.468 20 0 GEADLP C[C@@H]1CN(CC(=O)NCc2ccc(Cl)s2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000373531999 532456136 /nfs/dbraw/zinc/45/61/36/532456136.db2.gz VMSZRCCUSAKXCN-CQSZACIVSA-N 2 2 384.977 2.118 20 0 GEADLP C[C@@H]1CN(CC(=O)NCc2ccc(Cl)s2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000373531999 532456142 /nfs/dbraw/zinc/45/61/42/532456142.db2.gz VMSZRCCUSAKXCN-CQSZACIVSA-N 2 2 384.977 2.118 20 0 GEADLP CC(C)n1c[nH+]cc1CNc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000562966279 532491160 /nfs/dbraw/zinc/49/11/60/532491160.db2.gz GFZXRQPNABPRMS-UHFFFAOYSA-N 2 2 380.290 3.070 20 0 GEADLP C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430631884 532502313 /nfs/dbraw/zinc/50/23/13/532502313.db2.gz VZLDQQPBMWERFS-NWDGAFQWSA-N 2 2 387.311 2.107 20 0 GEADLP C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430631884 532502316 /nfs/dbraw/zinc/50/23/16/532502316.db2.gz VZLDQQPBMWERFS-NWDGAFQWSA-N 2 2 387.311 2.107 20 0 GEADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(Br)cc1OC ZINC000563353335 532499969 /nfs/dbraw/zinc/49/99/69/532499969.db2.gz NZVRXWLBEFUUIP-TZMCWYRMSA-N 2 2 375.307 2.047 20 0 GEADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(Br)cc1OC ZINC000563353335 532499975 /nfs/dbraw/zinc/49/99/75/532499975.db2.gz NZVRXWLBEFUUIP-TZMCWYRMSA-N 2 2 375.307 2.047 20 0 GEADLP NS(=O)(=O)c1cc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)ccc1Cl ZINC000631179680 532545363 /nfs/dbraw/zinc/54/53/63/532545363.db2.gz FPSUDNMQTAYTFT-UHFFFAOYSA-N 2 2 381.876 2.054 20 0 GEADLP C[NH+]1CCN(c2cc(C[NH2+]Cc3ncc(Br)cc3F)ccn2)CC1 ZINC000527639567 532550077 /nfs/dbraw/zinc/55/00/77/532550077.db2.gz WUYVYQDTPPQXQB-UHFFFAOYSA-N 2 2 394.292 2.420 20 0 GEADLP C[C@@H](C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)C[NH+]1CCOCC1 ZINC000565358958 532558210 /nfs/dbraw/zinc/55/82/10/532558210.db2.gz LSNCWBAUBSEBSD-KBPBESRZSA-N 2 2 377.312 2.291 20 0 GEADLP C[C@@H](C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)C[NH+]1CCOCC1 ZINC000565358962 532558387 /nfs/dbraw/zinc/55/83/87/532558387.db2.gz LSNCWBAUBSEBSD-UONOGXRCSA-N 2 2 377.312 2.291 20 0 GEADLP OCC[NH2+]C1CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000631862706 532564880 /nfs/dbraw/zinc/56/48/80/532564880.db2.gz LWMSTMVTTKRBLG-UHFFFAOYSA-N 2 2 391.313 2.452 20 0 GEADLP Clc1cccc(-n2cc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)nn2)c1Cl ZINC000262182735 532586958 /nfs/dbraw/zinc/58/69/58/532586958.db2.gz WXVAMIKLSWGSDP-CQSZACIVSA-N 2 2 381.311 2.054 20 0 GEADLP Clc1cccc(-n2cc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)nn2)c1Cl ZINC000262182735 532586963 /nfs/dbraw/zinc/58/69/63/532586963.db2.gz WXVAMIKLSWGSDP-CQSZACIVSA-N 2 2 381.311 2.054 20 0 GEADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2nnc(S(C)(=O)=O)s2)cc1 ZINC000375671715 532574292 /nfs/dbraw/zinc/57/42/92/532574292.db2.gz JAZDWURNUHGPAW-LLVKDONJSA-N 2 2 377.495 2.287 20 0 GEADLP [NH3+][C@@H]1C[N@H+](CCCOc2cccc(I)c2)CC[C@H]1F ZINC000595905839 532576823 /nfs/dbraw/zinc/57/68/23/532576823.db2.gz HEKNHRNOPCHKOS-ZIAGYGMSSA-N 2 2 378.229 2.431 20 0 GEADLP [NH3+][C@@H]1C[N@@H+](CCCOc2cccc(I)c2)CC[C@H]1F ZINC000595905839 532576830 /nfs/dbraw/zinc/57/68/30/532576830.db2.gz HEKNHRNOPCHKOS-ZIAGYGMSSA-N 2 2 378.229 2.431 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)NCC[C@H]3CCC[NH2+]3)[nH+]c12 ZINC000565765493 532576920 /nfs/dbraw/zinc/57/69/20/532576920.db2.gz SEAROVQYEYUNKJ-CQSZACIVSA-N 2 2 394.317 2.389 20 0 GEADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000284684924 532611278 /nfs/dbraw/zinc/61/12/78/532611278.db2.gz HNWJWJSSABWUGB-DYVFJYSZSA-N 2 2 395.345 2.437 20 0 GEADLP OCC[NH+]1CCN(CCCC[NH2+]Cc2c(F)cccc2Br)CC1 ZINC000474726721 532625903 /nfs/dbraw/zinc/62/59/03/532625903.db2.gz ICNQKWUIBCWADG-UHFFFAOYSA-N 2 2 388.325 2.068 20 0 GEADLP O[C@H](C[NH2+]Cc1cc(Cl)cc(I)c1)C[NH+]1CCCC1 ZINC000600739834 532681582 /nfs/dbraw/zinc/68/15/82/532681582.db2.gz SWIGKHUJWQIUOS-CQSZACIVSA-N 2 2 394.684 2.491 20 0 GEADLP O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266041204 532701235 /nfs/dbraw/zinc/70/12/35/532701235.db2.gz VUNCSKODXUCGCK-HOCLYGCPSA-N 2 2 389.323 2.387 20 0 GEADLP O[C@H](COc1cc(Cl)ccc1Cl)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266041204 532701239 /nfs/dbraw/zinc/70/12/39/532701239.db2.gz VUNCSKODXUCGCK-HOCLYGCPSA-N 2 2 389.323 2.387 20 0 GEADLP C[N@@H+]1CCN(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)[C@@H](C[NH3+])C1 ZINC000666684501 532701339 /nfs/dbraw/zinc/70/13/39/532701339.db2.gz RRCRIQGGKYQIHU-ZDUSSCGKSA-N 2 2 379.917 2.494 20 0 GEADLP C[N@H+]1CCN(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)[C@@H](C[NH3+])C1 ZINC000666684501 532701344 /nfs/dbraw/zinc/70/13/44/532701344.db2.gz RRCRIQGGKYQIHU-ZDUSSCGKSA-N 2 2 379.917 2.494 20 0 GEADLP Brc1c[nH+]ccc1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000548480425 532791199 /nfs/dbraw/zinc/79/11/99/532791199.db2.gz WKUNFAFCYGIMTH-UHFFFAOYSA-N 3 2 376.302 2.285 20 0 GEADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(OC)c(O)c3Br)C2)CC1 ZINC000273699422 532831556 /nfs/dbraw/zinc/83/15/56/532831556.db2.gz CVEMBPQXECUJRS-OAHLLOKOSA-N 2 2 398.345 2.375 20 0 GEADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(OC)c(O)c3Br)C2)CC1 ZINC000273699422 532831562 /nfs/dbraw/zinc/83/15/62/532831562.db2.gz CVEMBPQXECUJRS-OAHLLOKOSA-N 2 2 398.345 2.375 20 0 GEADLP CC[NH2+][C@H](C)C[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000414955220 532835959 /nfs/dbraw/zinc/83/59/59/532835959.db2.gz MACHXAFJRZTQNO-SNVBAGLBSA-N 2 2 378.254 2.396 20 0 GEADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000415104025 532838064 /nfs/dbraw/zinc/83/80/64/532838064.db2.gz GHYXSTBGKZHSNU-QGZVFWFLSA-N 2 2 379.302 2.493 20 0 GEADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000415104025 532838065 /nfs/dbraw/zinc/83/80/65/532838065.db2.gz GHYXSTBGKZHSNU-QGZVFWFLSA-N 2 2 379.302 2.493 20 0 GEADLP O=C1N[C@H]2C[N@H+](Cc3cc(Br)cs3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415141392 532838510 /nfs/dbraw/zinc/83/85/10/532838510.db2.gz PDBHPSSMAOTNCF-GJZGRUSLSA-N 2 2 399.358 2.231 20 0 GEADLP O=C1N[C@H]2C[N@@H+](Cc3cc(Br)cs3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415141392 532838512 /nfs/dbraw/zinc/83/85/12/532838512.db2.gz PDBHPSSMAOTNCF-GJZGRUSLSA-N 2 2 399.358 2.231 20 0 GEADLP CCOC(=O)C1CCN(C(=O)C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000359900857 212111077 /nfs/dbraw/zinc/11/10/77/212111077.db2.gz QLWHLVQGAAXDCG-OALUTQOASA-N 2 2 393.572 2.375 20 0 GEADLP CCOC(=O)C1CCN(C(=O)C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000359900857 212111079 /nfs/dbraw/zinc/11/10/79/212111079.db2.gz QLWHLVQGAAXDCG-OALUTQOASA-N 2 2 393.572 2.375 20 0 GEADLP CCOC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)CC1 ZINC000359900857 212111071 /nfs/dbraw/zinc/11/10/71/212111071.db2.gz QLWHLVQGAAXDCG-OALUTQOASA-N 2 2 393.572 2.375 20 0 GEADLP CCOC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)CC1 ZINC000359900857 212111074 /nfs/dbraw/zinc/11/10/74/212111074.db2.gz QLWHLVQGAAXDCG-OALUTQOASA-N 2 2 393.572 2.375 20 0 GEADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CC(=O)N(C)CC(F)(F)F)[C@@H]1c1cnn(C)c1 ZINC000328630113 212087999 /nfs/dbraw/zinc/08/79/99/212087999.db2.gz IZZBBHIWURXWAP-WMLDXEAASA-N 2 2 389.466 2.146 20 0 GEADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CC(=O)N(C)CC(F)(F)F)[C@@H]1c1cnn(C)c1 ZINC000328630113 212088002 /nfs/dbraw/zinc/08/80/02/212088002.db2.gz IZZBBHIWURXWAP-WMLDXEAASA-N 2 2 389.466 2.146 20 0 GEADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CC(=O)N(C)CC(F)(F)F)[C@@H]1c1cnn(C)c1 ZINC000328630113 212088004 /nfs/dbraw/zinc/08/80/04/212088004.db2.gz IZZBBHIWURXWAP-WMLDXEAASA-N 2 2 389.466 2.146 20 0 GEADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CC(=O)N(C)CC(F)(F)F)[C@@H]1c1cnn(C)c1 ZINC000328630113 212088007 /nfs/dbraw/zinc/08/80/07/212088007.db2.gz IZZBBHIWURXWAP-WMLDXEAASA-N 2 2 389.466 2.146 20 0 GEADLP CCOc1c(Br)cc(C[NH2+]CC[N@H+](CC)CCO)cc1OC ZINC000274405252 532849299 /nfs/dbraw/zinc/84/92/99/532849299.db2.gz NKAQXMQKLIMMEG-UHFFFAOYSA-N 2 2 375.307 2.260 20 0 GEADLP CCOc1c(Br)cc(C[NH2+]CC[N@@H+](CC)CCO)cc1OC ZINC000274405252 532849302 /nfs/dbraw/zinc/84/93/02/532849302.db2.gz NKAQXMQKLIMMEG-UHFFFAOYSA-N 2 2 375.307 2.260 20 0 GEADLP [NH3+]CC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000415995711 532862704 /nfs/dbraw/zinc/86/27/04/532862704.db2.gz NXNCVEMUOUUIKH-CQSZACIVSA-N 2 2 378.826 2.447 20 0 GEADLP Clc1nccc(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)c1Cl ZINC000290932278 532893246 /nfs/dbraw/zinc/89/32/46/532893246.db2.gz SDSYWPIMAYOFJT-UHFFFAOYSA-N 2 2 381.311 2.480 20 0 GEADLP Cc1ccc(Br)nc1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000364262165 532905657 /nfs/dbraw/zinc/90/56/57/532905657.db2.gz AWDZADQNSQKIFX-CQSZACIVSA-N 2 2 395.345 2.393 20 0 GEADLP Cc1ccc(Br)nc1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000364262165 532905659 /nfs/dbraw/zinc/90/56/59/532905659.db2.gz AWDZADQNSQKIFX-CQSZACIVSA-N 2 2 395.345 2.393 20 0 GEADLP C[C@H](c1ncc(Br)cn1)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367875386 532928279 /nfs/dbraw/zinc/92/82/79/532928279.db2.gz TXQNQUYIONGIQA-ZIAGYGMSSA-N 2 2 382.350 2.400 20 0 GEADLP C[C@H](c1ncc(Br)cn1)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367875386 532928281 /nfs/dbraw/zinc/92/82/81/532928281.db2.gz TXQNQUYIONGIQA-ZIAGYGMSSA-N 2 2 382.350 2.400 20 0 GEADLP C[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccc(Br)cn1 ZINC000368440099 532932411 /nfs/dbraw/zinc/93/24/11/532932411.db2.gz AKLBSONCJXRARC-OAHLLOKOSA-N 2 2 397.361 2.291 20 0 GEADLP C[C@@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)c1ccc(Br)cn1 ZINC000368440099 532932413 /nfs/dbraw/zinc/93/24/13/532932413.db2.gz AKLBSONCJXRARC-OAHLLOKOSA-N 2 2 397.361 2.291 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3ccc(Br)cc3)C2)CC1 ZINC000369279530 532937932 /nfs/dbraw/zinc/93/79/32/532937932.db2.gz XSCQSKVNRSNVCF-INIZCTEOSA-N 2 2 380.330 2.276 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3ccc(Br)cc3)C2)CC1 ZINC000369279530 532937933 /nfs/dbraw/zinc/93/79/33/532937933.db2.gz XSCQSKVNRSNVCF-INIZCTEOSA-N 2 2 380.330 2.276 20 0 GEADLP CN(Cc1ccc(Br)o1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369365079 532939128 /nfs/dbraw/zinc/93/91/28/532939128.db2.gz XODZZRRFCSEFSW-CYBMUJFWSA-N 2 2 399.333 2.352 20 0 GEADLP CN(Cc1ccc(Br)o1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369365079 532939129 /nfs/dbraw/zinc/93/91/29/532939129.db2.gz XODZZRRFCSEFSW-CYBMUJFWSA-N 2 2 399.333 2.352 20 0 GEADLP CCc1ccc(C[NH2+]C[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cc1 ZINC000515237845 570507980 /nfs/dbraw/zinc/50/79/80/570507980.db2.gz GDXIORJTUNFKBB-HXUWFJFHSA-N 2 2 395.551 2.185 20 0 GEADLP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736135371 599286298 /nfs/dbraw/zinc/28/62/98/599286298.db2.gz XWJRLEMQWIWMDN-GFCCVEGCSA-N 2 2 391.907 2.310 20 0 GEADLP c1cn(-c2ccc(C[NH+]3CCN(c4ccccc4-c4nn[nH]n4)CC3)cc2)c[nH+]1 ZINC000738436493 598254001 /nfs/dbraw/zinc/25/40/01/598254001.db2.gz RTHWJTOXKWSYAS-UHFFFAOYSA-N 2 2 386.463 2.375 20 0 GEADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)nc[nH+]1 ZINC000736887246 599318229 /nfs/dbraw/zinc/31/82/29/599318229.db2.gz LURVPECSPODHID-XJKSGUPXSA-N 2 2 379.472 2.018 20 0 GEADLP C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000820432080 599427305 /nfs/dbraw/zinc/42/73/05/599427305.db2.gz MAHAAHFOBRYHCW-ZDUSSCGKSA-N 2 2 385.447 2.201 20 0 GEADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1-c1nn[nH]n1 ZINC000821809774 599442331 /nfs/dbraw/zinc/44/23/31/599442331.db2.gz RTVNAOFFKYGLRK-HNAYVOBHSA-N 2 2 393.495 2.271 20 0 GEADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1-c1nn[nH]n1 ZINC000821809774 599442335 /nfs/dbraw/zinc/44/23/35/599442335.db2.gz RTVNAOFFKYGLRK-HNAYVOBHSA-N 2 2 393.495 2.271 20 0 GEADLP Cc1cccc2c(NCC3([NH+]4CCCC4)CCOCC3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822334721 599528958 /nfs/dbraw/zinc/52/89/58/599528958.db2.gz FCWLIDWFMMOXAE-UHFFFAOYSA-N 2 2 393.495 2.202 20 0 GEADLP CC[C@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc32)CC[N@@H+]1C[C@@H](C)O ZINC000820993928 599530973 /nfs/dbraw/zinc/53/09/73/599530973.db2.gz CDDHAVXPIJBTTE-CVEARBPZSA-N 2 2 395.511 2.313 20 0 GEADLP CC[C@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc32)CC[N@H+]1C[C@@H](C)O ZINC000820993928 599530974 /nfs/dbraw/zinc/53/09/74/599530974.db2.gz CDDHAVXPIJBTTE-CVEARBPZSA-N 2 2 395.511 2.313 20 0 GEADLP C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000824046776 607476628 /nfs/dbraw/zinc/47/66/28/607476628.db2.gz UZMIDWFJWOIMPX-ZRGWGRIASA-N 2 2 395.511 2.142 20 0 GEADLP C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000824046776 607476629 /nfs/dbraw/zinc/47/66/29/607476629.db2.gz UZMIDWFJWOIMPX-ZRGWGRIASA-N 2 2 395.511 2.142 20 0 GEADLP C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000824046776 607476632 /nfs/dbraw/zinc/47/66/32/607476632.db2.gz UZMIDWFJWOIMPX-ZRGWGRIASA-N 2 2 395.511 2.142 20 0 GEADLP C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000824046776 607476633 /nfs/dbraw/zinc/47/66/33/607476633.db2.gz UZMIDWFJWOIMPX-ZRGWGRIASA-N 2 2 395.511 2.142 20 0 GEADLP O=C(CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407582 607478343 /nfs/dbraw/zinc/47/83/43/607478343.db2.gz TTWPXNZTZFXSEV-BEFAXECRSA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407582 607478344 /nfs/dbraw/zinc/47/83/44/607478344.db2.gz TTWPXNZTZFXSEV-BEFAXECRSA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407582 607478347 /nfs/dbraw/zinc/47/83/47/607478347.db2.gz TTWPXNZTZFXSEV-BEFAXECRSA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407582 607478348 /nfs/dbraw/zinc/47/83/48/607478348.db2.gz TTWPXNZTZFXSEV-BEFAXECRSA-N 2 2 395.511 2.144 20 0 GEADLP Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c(-c2nn[nH]n2)c1C ZINC000826341786 607639240 /nfs/dbraw/zinc/63/92/40/607639240.db2.gz PWDYBICJIYTRHH-WFASDCNBSA-N 2 2 398.471 2.073 20 0 GEADLP Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c(-c2nn[nH]n2)c1C ZINC000826341786 607639242 /nfs/dbraw/zinc/63/92/42/607639242.db2.gz PWDYBICJIYTRHH-WFASDCNBSA-N 2 2 398.471 2.073 20 0 GEADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C3CC[NH+](CCCC(=O)[O-])CC3)c2)CCO1 ZINC000833629461 605219565 /nfs/dbraw/zinc/21/95/65/605219565.db2.gz IXRNDKGTMKVHBE-SFHVURJKSA-N 2 2 389.540 2.326 20 0 GEADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CC[NH+](CCCC(=O)[O-])CC3)c2)CCO1 ZINC000833629461 605219567 /nfs/dbraw/zinc/21/95/67/605219567.db2.gz IXRNDKGTMKVHBE-SFHVURJKSA-N 2 2 389.540 2.326 20 0 GEADLP CC[NH+](CC)CCO[C@@H]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000821189361 606140456 /nfs/dbraw/zinc/14/04/56/606140456.db2.gz KTUBUFKXYICOCT-OAHLLOKOSA-N 2 2 381.484 2.352 20 0 GEADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000822336794 606440583 /nfs/dbraw/zinc/44/05/83/606440583.db2.gz RDORFTOBDXBXFT-OAHLLOKOSA-N 2 2 379.468 2.024 20 0 GEADLP C[NH+]1CCC(CNc2ccc(Cl)c(-c3nn[nH]n3)n2)([NH+]2CCCCC2)CC1 ZINC000821621858 606468566 /nfs/dbraw/zinc/46/85/66/606468566.db2.gz IWMSXDPPUKKXFL-UHFFFAOYSA-N 2 2 390.923 2.277 20 0 GEADLP CC[N@H+]1C[C@H](Nc2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)[C@@H](C)C1 ZINC000821241281 606731675 /nfs/dbraw/zinc/73/16/75/606731675.db2.gz LMPZQCUCGPRKIN-BONVTDFDSA-N 2 2 389.410 2.190 20 0 GEADLP CC[N@@H+]1C[C@H](Nc2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)[C@@H](C)C1 ZINC000821241281 606731677 /nfs/dbraw/zinc/73/16/77/606731677.db2.gz LMPZQCUCGPRKIN-BONVTDFDSA-N 2 2 389.410 2.190 20 0 GEADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)C1 ZINC000825755196 607922457 /nfs/dbraw/zinc/92/24/57/607922457.db2.gz RVABKECFFQQTRQ-OAHLLOKOSA-N 2 2 395.467 2.249 20 0 GEADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)C1 ZINC000825755196 607922458 /nfs/dbraw/zinc/92/24/58/607922458.db2.gz RVABKECFFQQTRQ-OAHLLOKOSA-N 2 2 395.467 2.249 20 0 GEADLP COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000826175520 608045026 /nfs/dbraw/zinc/04/50/26/608045026.db2.gz HWECPGBGNQGZGL-UHFFFAOYSA-N 2 2 395.467 2.226 20 0 GEADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)[C@@H](C)C1 ZINC000825595233 608284716 /nfs/dbraw/zinc/28/47/16/608284716.db2.gz WEGFIZKKHYSSCD-KBXCAEBGSA-N 2 2 376.480 2.232 20 0 GEADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)[C@@H](C)C1 ZINC000825595233 608284718 /nfs/dbraw/zinc/28/47/18/608284718.db2.gz WEGFIZKKHYSSCD-KBXCAEBGSA-N 2 2 376.480 2.232 20 0 GEADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C1 ZINC000825391180 608314011 /nfs/dbraw/zinc/31/40/11/608314011.db2.gz WEJBCHNJKDFBRL-INIZCTEOSA-N 2 2 380.500 2.134 20 0 GEADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C1 ZINC000825391180 608314012 /nfs/dbraw/zinc/31/40/12/608314012.db2.gz WEJBCHNJKDFBRL-INIZCTEOSA-N 2 2 380.500 2.134 20 0 GEADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C1 ZINC000825391180 608314014 /nfs/dbraw/zinc/31/40/14/608314014.db2.gz WEJBCHNJKDFBRL-INIZCTEOSA-N 2 2 380.500 2.134 20 0 GEADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C1 ZINC000825391180 608314016 /nfs/dbraw/zinc/31/40/16/608314016.db2.gz WEJBCHNJKDFBRL-INIZCTEOSA-N 2 2 380.500 2.134 20 0 GEADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)c1 ZINC000826313721 608663645 /nfs/dbraw/zinc/66/36/45/608663645.db2.gz QZXCGZZKGZFDCG-HNNXBMFYSA-N 2 2 389.467 2.152 20 0 GEADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)c1 ZINC000826313721 608663649 /nfs/dbraw/zinc/66/36/49/608663649.db2.gz QZXCGZZKGZFDCG-HNNXBMFYSA-N 2 2 389.467 2.152 20 0 GEADLP C[NH+](C)CC[C@H]([NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)C(C)(C)C ZINC000825860802 609408005 /nfs/dbraw/zinc/40/80/05/609408005.db2.gz XEAVKULCUDJVCE-ROUUACIJSA-N 2 2 399.543 2.318 20 0 GEADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449121844 650032057 /nfs/dbraw/zinc/03/20/57/650032057.db2.gz JKMMURVCHROKNT-MRXNPFEDSA-N 2 2 391.313 2.427 20 0 GEADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449121844 650032059 /nfs/dbraw/zinc/03/20/59/650032059.db2.gz JKMMURVCHROKNT-MRXNPFEDSA-N 2 2 391.313 2.427 20 0 GEADLP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)s1 ZINC000513090496 650557697 /nfs/dbraw/zinc/55/76/97/650557697.db2.gz UWKLJDDENMYNLX-MNOVXSKESA-N 2 2 382.559 2.372 20 0 GEADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000514857145 650581366 /nfs/dbraw/zinc/58/13/66/650581366.db2.gz AMQVDEDEHYZSPV-GOSISDBHSA-N 2 2 398.345 2.192 20 0 GEADLP Brc1cc2cccnc2c(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000489955779 650765582 /nfs/dbraw/zinc/76/55/82/650765582.db2.gz LPTUJQUNZLNTLX-KRWDZBQOSA-N 2 2 375.314 2.477 20 0 GEADLP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](O)c3cccc(Br)c3)C2)CC1 ZINC000107371693 643255167 /nfs/dbraw/zinc/25/51/67/643255167.db2.gz JHWOPNXRZAWHJB-MSOLQXFVSA-N 2 2 382.346 2.194 20 0 GEADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](O)c3cccc(Br)c3)C2)CC1 ZINC000107371693 643255169 /nfs/dbraw/zinc/25/51/69/643255169.db2.gz JHWOPNXRZAWHJB-MSOLQXFVSA-N 2 2 382.346 2.194 20 0 GEADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(Cl)s1 ZINC000110099190 643306354 /nfs/dbraw/zinc/30/63/54/643306354.db2.gz JSJWQHVSAQPGGK-CYBMUJFWSA-N 2 2 379.979 2.438 20 0 GEADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(Cl)s1 ZINC000110099190 643306361 /nfs/dbraw/zinc/30/63/61/643306361.db2.gz JSJWQHVSAQPGGK-CYBMUJFWSA-N 2 2 379.979 2.438 20 0 GEADLP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000154313414 644034053 /nfs/dbraw/zinc/03/40/53/644034053.db2.gz WHRJLAFPJHJWPB-OCCSQVGLSA-N 2 2 390.265 2.017 20 0 GEADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCS(=O)(=O)C(C)(C)C)CC1 ZINC000180133979 644491210 /nfs/dbraw/zinc/49/12/10/644491210.db2.gz DBRQCJMSSCUODD-UHFFFAOYSA-N 2 2 387.977 2.395 20 0 GEADLP C[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000181865245 644950431 /nfs/dbraw/zinc/95/04/31/644950431.db2.gz ZCHXJDKLSMYGLI-CQSZACIVSA-N 2 2 398.345 2.327 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ncc(Br)s3)CC2)CC1 ZINC000192415339 645203157 /nfs/dbraw/zinc/20/31/57/645203157.db2.gz ASHUIVRJLWKZIH-UHFFFAOYSA-N 2 2 387.347 2.194 20 0 GEADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000546563574 651001859 /nfs/dbraw/zinc/00/18/59/651001859.db2.gz LZOUVNVFNUWKGF-GOSISDBHSA-N 2 2 393.329 2.408 20 0 GEADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000546563574 651001861 /nfs/dbraw/zinc/00/18/61/651001861.db2.gz LZOUVNVFNUWKGF-GOSISDBHSA-N 2 2 393.329 2.408 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000228073743 645395089 /nfs/dbraw/zinc/39/50/89/645395089.db2.gz FIHGDLBFZIGLGN-VXGBXAGGSA-N 2 2 387.265 2.207 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000228073743 645395097 /nfs/dbraw/zinc/39/50/97/645395097.db2.gz FIHGDLBFZIGLGN-VXGBXAGGSA-N 2 2 387.265 2.207 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H](C)C[NH+](C)C)[nH+]c12 ZINC000288211406 646910633 /nfs/dbraw/zinc/91/06/33/646910633.db2.gz OTKNDUBCEDQSBA-LBPRGKRZSA-N 2 2 382.306 2.197 20 0 GEADLP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1cccc(Br)c1 ZINC000410235806 648001383 /nfs/dbraw/zinc/00/13/83/648001383.db2.gz AEOVBJSJLSQOKX-INIZCTEOSA-N 2 2 384.362 2.490 20 0 GEADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(F)cc1I ZINC000417907011 648266183 /nfs/dbraw/zinc/26/61/83/648266183.db2.gz GIHWFGZGGPKJPX-LBPRGKRZSA-N 2 2 391.272 2.156 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CC[C@H](C[NH3+])C3)[nH+]c12 ZINC000418016268 648270559 /nfs/dbraw/zinc/27/05/59/648270559.db2.gz FSGNHQZFKFJUHD-JSGCOSHPSA-N 2 2 394.317 2.374 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CC[NH2+]C[C@@H]3C)[nH+]c12 ZINC000418017933 648271007 /nfs/dbraw/zinc/27/10/07/648271007.db2.gz HYHKZFUHYBDOJF-WFASDCNBSA-N 2 2 394.317 2.245 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@H](C)CCC[NH3+])[nH+]c12 ZINC000418029842 648272279 /nfs/dbraw/zinc/27/22/79/648272279.db2.gz ZWRAHIVKGGYPTM-GFCCVEGCSA-N 2 2 382.306 2.374 20 0 GEADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422768571 648575338 /nfs/dbraw/zinc/57/53/38/648575338.db2.gz UTHBUMGYYQYPAY-KDOFPFPSSA-N 2 2 381.929 2.166 20 0 GEADLP O[C@H](C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)COc1cccc(Cl)c1Cl ZINC000422903714 648576162 /nfs/dbraw/zinc/57/61/62/648576162.db2.gz OXINYEISNFNOCD-VMGRFDJRSA-N 2 2 375.296 2.090 20 0 GEADLP FC(F)(F)c1cnc(OCC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000422925897 648577103 /nfs/dbraw/zinc/57/71/03/648577103.db2.gz VUHSHBNYAYOKCU-KGLIPLIRSA-N 2 2 379.810 2.489 20 0 GEADLP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423163994 648585502 /nfs/dbraw/zinc/58/55/02/648585502.db2.gz RZMPBJZCTNAOBL-KYNGSXCRSA-N 2 2 397.357 2.265 20 0 GEADLP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423163923 648585747 /nfs/dbraw/zinc/58/57/47/648585747.db2.gz RUTFGXWFDPFTTE-JLJPHGGASA-N 2 2 385.346 2.265 20 0 GEADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000551819060 651133643 /nfs/dbraw/zinc/13/36/43/651133643.db2.gz YBBKOUAKRWMMQU-SMDDNHRTSA-N 2 2 387.265 2.160 20 0 GEADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000551819060 651133648 /nfs/dbraw/zinc/13/36/48/651133648.db2.gz YBBKOUAKRWMMQU-SMDDNHRTSA-N 2 2 387.265 2.160 20 0 GEADLP Cc1cc(Br)cc2c1C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC2 ZINC000554812378 651213781 /nfs/dbraw/zinc/21/37/81/651213781.db2.gz ROKIVNOBYXHTQO-UHFFFAOYSA-N 2 2 380.330 2.280 20 0 GEADLP Cc1cc(Br)cc2c1C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC2 ZINC000554812378 651213783 /nfs/dbraw/zinc/21/37/83/651213783.db2.gz ROKIVNOBYXHTQO-UHFFFAOYSA-N 2 2 380.330 2.280 20 0 GEADLP CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)Cn1cc[nH+]c1 ZINC000564652398 651573174 /nfs/dbraw/zinc/57/31/74/651573174.db2.gz OSMNNFGYGDCYRE-UHFFFAOYSA-N 2 2 380.290 2.282 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)/C=C\c3ccc(Br)o3)C2)CC1 ZINC000732781749 651674027 /nfs/dbraw/zinc/67/40/27/651674027.db2.gz STVDDRFMOPDZHC-DXTPNHAXSA-N 2 2 382.302 2.340 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)/C=C\c3ccc(Br)o3)C2)CC1 ZINC000732781749 651674029 /nfs/dbraw/zinc/67/40/29/651674029.db2.gz STVDDRFMOPDZHC-DXTPNHAXSA-N 2 2 382.302 2.340 20 0 GEADLP CO[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@H](C[NH3+])C1 ZINC000569811466 651726679 /nfs/dbraw/zinc/72/66/79/651726679.db2.gz ZBVMJRLEGPSEPR-STQMWFEESA-N 2 2 388.281 2.355 20 0 GEADLP CO[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@H](C[NH3+])C1 ZINC000569811466 651726683 /nfs/dbraw/zinc/72/66/83/651726683.db2.gz ZBVMJRLEGPSEPR-STQMWFEESA-N 2 2 388.281 2.355 20 0 GEADLP O=S(=O)(c1ccccc1Cl)N1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647872207 651763686 /nfs/dbraw/zinc/76/36/86/651763686.db2.gz GXCFJMNNYDXMBX-UHFFFAOYSA-N 2 2 385.961 2.426 20 0 GEADLP COc1cc(C[NH2+]C2CC([NH+](C)C)C2)cc(I)c1OC ZINC000570582065 651776586 /nfs/dbraw/zinc/77/65/86/651776586.db2.gz XRXAUYKRCCBCHN-UHFFFAOYSA-N 2 2 390.265 2.491 20 0 GEADLP Cc1n[nH]c(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1Br ZINC000742133932 651965264 /nfs/dbraw/zinc/96/52/64/651965264.db2.gz DLTZKFWJGKNJSZ-UHFFFAOYSA-N 2 2 398.349 2.161 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnc2ncc(Br)cc2c1 ZINC000617764919 651971831 /nfs/dbraw/zinc/97/18/31/651971831.db2.gz LTODELZNOAMGBM-UHFFFAOYSA-N 2 2 394.317 2.006 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnc2ncc(Br)cc2c1 ZINC000617764919 651971836 /nfs/dbraw/zinc/97/18/36/651971836.db2.gz LTODELZNOAMGBM-UHFFFAOYSA-N 2 2 394.317 2.006 20 0 GEADLP Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000742733828 651999129 /nfs/dbraw/zinc/99/91/29/651999129.db2.gz BIRKSNUYSSHVNU-LSDHHAIUSA-N 2 2 388.965 2.024 20 0 GEADLP Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000742733828 651999139 /nfs/dbraw/zinc/99/91/39/651999139.db2.gz BIRKSNUYSSHVNU-LSDHHAIUSA-N 2 2 388.965 2.024 20 0 GEADLP CN(C(=O)c1ccc(Br)nc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000746603127 652116808 /nfs/dbraw/zinc/11/68/08/652116808.db2.gz HUBDOWWXPOJBPD-OAHLLOKOSA-N 2 2 381.318 2.085 20 0 GEADLP CN(C(=O)c1ccc(Br)nc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000746603127 652116812 /nfs/dbraw/zinc/11/68/12/652116812.db2.gz HUBDOWWXPOJBPD-OAHLLOKOSA-N 2 2 381.318 2.085 20 0 GEADLP O=C(C[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000577839689 652220193 /nfs/dbraw/zinc/22/01/93/652220193.db2.gz IJBKNKHOUPXINR-QGZVFWFLSA-N 2 2 378.270 2.153 20 0 GEADLP CSc1cc(Cl)ccc1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000658427059 652270621 /nfs/dbraw/zinc/27/06/21/652270621.db2.gz FUBZABQKCWQUCI-UHFFFAOYSA-N 2 2 386.949 2.000 20 0 GEADLP CSc1cc(Cl)ccc1NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000658427059 652270628 /nfs/dbraw/zinc/27/06/28/652270628.db2.gz FUBZABQKCWQUCI-UHFFFAOYSA-N 2 2 386.949 2.000 20 0 GEADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579959129 652361596 /nfs/dbraw/zinc/36/15/96/652361596.db2.gz ZTBJEWLXOREULJ-GOSISDBHSA-N 2 2 380.330 2.483 20 0 GEADLP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579959129 652361600 /nfs/dbraw/zinc/36/16/00/652361600.db2.gz ZTBJEWLXOREULJ-GOSISDBHSA-N 2 2 380.330 2.483 20 0 GEADLP O[C@@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662162111 652449959 /nfs/dbraw/zinc/44/99/59/652449959.db2.gz ZWVCUEZZDDJZLY-HZPDHXFCSA-N 2 2 389.323 2.264 20 0 GEADLP O[C@@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662162111 652449961 /nfs/dbraw/zinc/44/99/61/652449961.db2.gz ZWVCUEZZDDJZLY-HZPDHXFCSA-N 2 2 389.323 2.264 20 0 GEADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000662287023 652455154 /nfs/dbraw/zinc/45/51/54/652455154.db2.gz QBVRBRKUZYFVQA-INIZCTEOSA-N 2 2 386.323 2.361 20 0 GEADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@H]([NH3+])c2ccccc2Br)C[C@@H](C)O1 ZINC000662364380 652457619 /nfs/dbraw/zinc/45/76/19/652457619.db2.gz HXUNQWOVQHUABD-XJKCOSOUSA-N 2 2 398.345 2.453 20 0 GEADLP C[NH2+][C@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1cccc(Cl)c1Cl ZINC000662476690 652463389 /nfs/dbraw/zinc/46/33/89/652463389.db2.gz OLWNPNIEHGTIFV-DYVFJYSZSA-N 2 2 386.323 2.435 20 0 GEADLP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662810231 652475518 /nfs/dbraw/zinc/47/55/18/652475518.db2.gz OBZDZZFBRMZZGB-INIZCTEOSA-N 2 2 375.822 2.356 20 0 GEADLP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662810231 652475521 /nfs/dbraw/zinc/47/55/21/652475521.db2.gz OBZDZZFBRMZZGB-INIZCTEOSA-N 2 2 375.822 2.356 20 0 GEADLP CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCC[NH+]1CCC1 ZINC000584123975 652510364 /nfs/dbraw/zinc/51/03/64/652510364.db2.gz PBGOOSHVMJPQEW-ZDUSSCGKSA-N 2 2 384.318 2.148 20 0 GEADLP CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000584377834 652518965 /nfs/dbraw/zinc/51/89/65/652518965.db2.gz HUKUAWAUNJUKIL-DZGCQCFKSA-N 2 2 385.496 2.101 20 0 GEADLP CN(C(=O)c1ccnc(Br)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000758224382 652533999 /nfs/dbraw/zinc/53/39/99/652533999.db2.gz BCCZQSVAKQHRHP-HNNXBMFYSA-N 2 2 381.318 2.085 20 0 GEADLP CN(C(=O)c1ccnc(Br)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000758224382 652534000 /nfs/dbraw/zinc/53/40/00/652534000.db2.gz BCCZQSVAKQHRHP-HNNXBMFYSA-N 2 2 381.318 2.085 20 0 GEADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888242 652537929 /nfs/dbraw/zinc/53/79/29/652537929.db2.gz XQQSYOPCKLYVCI-PBHICJAKSA-N 2 2 380.330 2.481 20 0 GEADLP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888242 652537933 /nfs/dbraw/zinc/53/79/33/652537933.db2.gz XQQSYOPCKLYVCI-PBHICJAKSA-N 2 2 380.330 2.481 20 0 GEADLP C[N@H+](CCO)C1CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634645371 652646474 /nfs/dbraw/zinc/64/64/74/652646474.db2.gz MJJCZZXIAUWWIF-INIZCTEOSA-N 2 2 377.312 2.122 20 0 GEADLP C[N@@H+](CCO)C1CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634645371 652646476 /nfs/dbraw/zinc/64/64/76/652646476.db2.gz MJJCZZXIAUWWIF-INIZCTEOSA-N 2 2 377.312 2.122 20 0 GEADLP COc1cc(C[N@H+](C)CC(C)(C)[NH3+])cc(I)c1OC ZINC000594735659 652678219 /nfs/dbraw/zinc/67/82/19/652678219.db2.gz MKLLOUXFIAOVRM-UHFFFAOYSA-N 2 2 378.254 2.478 20 0 GEADLP COc1cc(C[N@@H+](C)CC(C)(C)[NH3+])cc(I)c1OC ZINC000594735659 652678254 /nfs/dbraw/zinc/67/82/54/652678254.db2.gz MKLLOUXFIAOVRM-UHFFFAOYSA-N 2 2 378.254 2.478 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3CCC(C)([NH3+])CC3)[nH+]c12 ZINC000669558977 652705521 /nfs/dbraw/zinc/70/55/21/652705521.db2.gz PKESJLKMOJWPIE-UHFFFAOYSA-N 2 2 394.317 2.471 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)C3(C[NH+](C)C)CC3)[nH+]c12 ZINC000635793605 652755138 /nfs/dbraw/zinc/75/51/38/652755138.db2.gz AGRAOSHTQQSBRX-UHFFFAOYSA-N 2 2 379.302 2.406 20 0 GEADLP NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000638449035 652889982 /nfs/dbraw/zinc/88/99/82/652889982.db2.gz ZUHKARLIWILJOY-ZDUSSCGKSA-N 2 2 385.580 2.459 20 0 GEADLP NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000638449035 652889987 /nfs/dbraw/zinc/88/99/87/652889987.db2.gz ZUHKARLIWILJOY-ZDUSSCGKSA-N 2 2 385.580 2.459 20 0 GEADLP O[C@@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000639863540 653086987 /nfs/dbraw/zinc/08/69/87/653086987.db2.gz MIEKJMZPKOHJEM-IAGOWNOFSA-N 2 2 389.323 2.264 20 0 GEADLP O[C@@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000639863540 653086988 /nfs/dbraw/zinc/08/69/88/653086988.db2.gz MIEKJMZPKOHJEM-IAGOWNOFSA-N 2 2 389.323 2.264 20 0 GEADLP CS[C@@H]1CN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C[C@H]1[NH+]1CCCC1 ZINC000602135646 653149610 /nfs/dbraw/zinc/14/96/10/653149610.db2.gz LICNNSJJBBZEFU-MCIONIFRSA-N 2 2 376.448 2.415 20 0 GEADLP COc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000602204995 653157900 /nfs/dbraw/zinc/15/79/00/653157900.db2.gz MTCWOFKYEHLDSL-ZDUSSCGKSA-N 2 2 396.329 2.356 20 0 GEADLP COc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000602204995 653157906 /nfs/dbraw/zinc/15/79/06/653157906.db2.gz MTCWOFKYEHLDSL-ZDUSSCGKSA-N 2 2 396.329 2.356 20 0 GEADLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)cn1 ZINC000641786425 653233965 /nfs/dbraw/zinc/23/39/65/653233965.db2.gz QJCUYYWKHOEPKR-DOTOQJQBSA-N 2 2 397.361 2.291 20 0 GEADLP C[NH+](C)Cc1cnc(CN2CC[NH+](CCCOCC(F)(F)F)CC2)s1 ZINC000809551812 653282340 /nfs/dbraw/zinc/28/23/40/653282340.db2.gz AXFTUDMACKFHLB-UHFFFAOYSA-N 2 2 380.480 2.291 20 0 GEADLP C[NH+]1CCN(CCCC[NH2+]Cc2nc3ccccn3c2Br)CC1 ZINC000809606268 653283928 /nfs/dbraw/zinc/28/39/28/653283928.db2.gz XNLKBALGSBIMPF-UHFFFAOYSA-N 2 2 380.334 2.214 20 0 GEADLP NS(=O)(=O)c1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)ccc1Cl ZINC000685325231 653302935 /nfs/dbraw/zinc/30/29/35/653302935.db2.gz MDBYSTWOGQSHFH-UHFFFAOYSA-N 2 2 380.901 2.141 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(Br)cnc3F)CC2)CC1 ZINC000858927149 653385986 /nfs/dbraw/zinc/38/59/86/653385986.db2.gz JMYBTCBAHPQYHV-UHFFFAOYSA-N 2 2 399.308 2.272 20 0 GEADLP COCC[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC)c(Br)c2)CC1 ZINC000876987533 653458641 /nfs/dbraw/zinc/45/86/41/653458641.db2.gz ZVTICPHQEZMQCG-UHFFFAOYSA-N 2 2 385.302 2.436 20 0 GEADLP ClC1(Cl)C[C@@H]1C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000877009818 653459981 /nfs/dbraw/zinc/45/99/81/653459981.db2.gz BDHNWANOVSAURK-ZIAGYGMSSA-N 2 2 386.327 2.065 20 0 GEADLP Ic1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000877022733 653460906 /nfs/dbraw/zinc/46/09/06/653460906.db2.gz RAKUBQMSCZJAEZ-MNOVXSKESA-N 2 2 378.279 2.306 20 0 GEADLP Ic1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC000877022733 653460909 /nfs/dbraw/zinc/46/09/09/653460909.db2.gz RAKUBQMSCZJAEZ-MNOVXSKESA-N 2 2 378.279 2.306 20 0 GEADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2nc(Br)cs2)CC1 ZINC000779748055 653607006 /nfs/dbraw/zinc/60/70/06/653607006.db2.gz IYJNUXZIPGLPOU-UHFFFAOYSA-N 2 2 382.287 2.305 20 0 GEADLP O[C@H](C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000878338301 653635016 /nfs/dbraw/zinc/63/50/16/653635016.db2.gz OWYZAFROOUHSFZ-QGZVFWFLSA-N 2 2 389.323 2.186 20 0 GEADLP CCC[N@H+](C)CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787675682 653742055 /nfs/dbraw/zinc/74/20/55/653742055.db2.gz SANXUJXEVOKIOL-UHFFFAOYSA-N 2 2 383.334 2.481 20 0 GEADLP CCC[N@@H+](C)CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787675682 653742056 /nfs/dbraw/zinc/74/20/56/653742056.db2.gz SANXUJXEVOKIOL-UHFFFAOYSA-N 2 2 383.334 2.481 20 0 GEADLP COc1ncc(Br)cc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000865468892 653766157 /nfs/dbraw/zinc/76/61/57/653766157.db2.gz MGMQSSLYVMHNLY-CYBMUJFWSA-N 2 2 384.318 2.443 20 0 GEADLP COc1ncc(Br)cc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000865468894 653766228 /nfs/dbraw/zinc/76/62/28/653766228.db2.gz MGMQSSLYVMHNLY-ZDUSSCGKSA-N 2 2 384.318 2.443 20 0 GEADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000866710690 653813763 /nfs/dbraw/zinc/81/37/63/653813763.db2.gz SXAYPFPSXFVQFL-SOUVJXGZSA-N 2 2 376.507 2.239 20 0 GEADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000866710690 653813766 /nfs/dbraw/zinc/81/37/66/653813766.db2.gz SXAYPFPSXFVQFL-SOUVJXGZSA-N 2 2 376.507 2.239 20 0 GEADLP COC(=O)CC[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)C[NH+]1CCCC1 ZINC000792328257 653839981 /nfs/dbraw/zinc/83/99/81/653839981.db2.gz UNGHYINXCBBKKR-KRWDZBQOSA-N 2 2 399.329 2.271 20 0 GEADLP COC(=O)CC[N@H+](Cc1cccc(Br)c1)C[C@@H](O)C[NH+]1CCCC1 ZINC000792328257 653839986 /nfs/dbraw/zinc/83/99/86/653839986.db2.gz UNGHYINXCBBKKR-KRWDZBQOSA-N 2 2 399.329 2.271 20 0 GEADLP C[C@@H]1C[NH+](CCCCCC[N@@H+]2C[C@@H](C)[S@@](=O)[C@@H](C)C2)C[C@@H](C)S1=O ZINC000792387119 653841102 /nfs/dbraw/zinc/84/11/02/653841102.db2.gz BUAMFHWLGJJDGV-AXSCDKTFSA-N 2 2 376.632 2.229 20 0 GEADLP C[C@@H]1C[NH+](CCCCCC[N@H+]2C[C@@H](C)[S@@](=O)[C@@H](C)C2)C[C@@H](C)S1=O ZINC000792387119 653841104 /nfs/dbraw/zinc/84/11/04/653841104.db2.gz BUAMFHWLGJJDGV-AXSCDKTFSA-N 2 2 376.632 2.229 20 0 GEADLP CN(C)c1nc(Cl)c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000822891645 653844918 /nfs/dbraw/zinc/84/49/18/653844918.db2.gz AQOCIWIUMFTHGY-UHFFFAOYSA-N 2 2 385.965 2.151 20 0 GEADLP C[C@H](CNC(=O)[C@H]([NH3+])c1ccc(Br)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884389559 653875057 /nfs/dbraw/zinc/87/50/57/653875057.db2.gz BBRSHRZXTGREKA-NFFDBFGFSA-N 2 2 384.318 2.063 20 0 GEADLP C[C@H](CNC(=O)[C@H]([NH3+])c1ccc(Br)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884389559 653875059 /nfs/dbraw/zinc/87/50/59/653875059.db2.gz BBRSHRZXTGREKA-NFFDBFGFSA-N 2 2 384.318 2.063 20 0 GEADLP CC1(C)C[S@@](=O)CC[NH+]1CCCCCC[N@H+]1CC[S@](=O)CC1(C)C ZINC000794569602 653911643 /nfs/dbraw/zinc/91/16/43/653911643.db2.gz YBCYITBLIJQUCC-ZEQRLZLVSA-N 2 2 376.632 2.233 20 0 GEADLP CC1(C)C[S@@](=O)CC[NH+]1CCCCCC[N@@H+]1CC[S@](=O)CC1(C)C ZINC000794569602 653911645 /nfs/dbraw/zinc/91/16/45/653911645.db2.gz YBCYITBLIJQUCC-ZEQRLZLVSA-N 2 2 376.632 2.233 20 0 GEADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC000825343433 653925955 /nfs/dbraw/zinc/92/59/55/653925955.db2.gz MLKJDDLRZAWGCO-KRWDZBQOSA-N 2 2 399.329 2.490 20 0 GEADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000920181187 654204787 /nfs/dbraw/zinc/20/47/87/654204787.db2.gz GMNDHJBUQWCGKJ-CABCVRRESA-N 2 2 388.965 2.026 20 0 GEADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000920181187 654204794 /nfs/dbraw/zinc/20/47/94/654204794.db2.gz GMNDHJBUQWCGKJ-CABCVRRESA-N 2 2 388.965 2.026 20 0 GEADLP C[NH+](C)CCOC1CC[NH+](CN2Cc3ccc(Br)cc3C2=O)CC1 ZINC000802732639 654238018 /nfs/dbraw/zinc/23/80/18/654238018.db2.gz NIGKYYGAWCRBNM-UHFFFAOYSA-N 2 2 396.329 2.405 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@H]([NH3+])C[C@H]3C)[nH+]c12 ZINC000891784453 654311568 /nfs/dbraw/zinc/31/15/68/654311568.db2.gz SVVCXEVGJAZWJL-DGCLKSJQSA-N 2 2 380.290 2.079 20 0 GEADLP COc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872254606 654320051 /nfs/dbraw/zinc/32/00/51/654320051.db2.gz INLDUCPTWXWQSS-CFVMTHIKSA-N 2 2 386.279 2.369 20 0 GEADLP COc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872254606 654320053 /nfs/dbraw/zinc/32/00/53/654320053.db2.gz INLDUCPTWXWQSS-CFVMTHIKSA-N 2 2 386.279 2.369 20 0 GEADLP O[C@@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000905121693 654333131 /nfs/dbraw/zinc/33/31/31/654333131.db2.gz FQXMBEGYUSYBNS-QAPCUYQASA-N 2 2 388.339 2.023 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CC[N@H+](C)[C@H]3C)[nH+]c12 ZINC000921938803 654345182 /nfs/dbraw/zinc/34/51/82/654345182.db2.gz JTIKKXXUWQTXHP-SWLSCSKDSA-N 2 2 394.317 2.340 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CC[N@@H+](C)[C@H]3C)[nH+]c12 ZINC000921938803 654345186 /nfs/dbraw/zinc/34/51/86/654345186.db2.gz JTIKKXXUWQTXHP-SWLSCSKDSA-N 2 2 394.317 2.340 20 0 GEADLP [NH3+][C@H]1C[C@@H](CNC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)C1 ZINC000892550614 654350800 /nfs/dbraw/zinc/35/08/00/654350800.db2.gz OIHNLIPKCLUPCY-BETUJISGSA-N 2 2 396.289 2.188 20 0 GEADLP C[N@H+]1CC[C@H]1CNC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000922916960 654420178 /nfs/dbraw/zinc/42/01/78/654420178.db2.gz STRLPVGQJXYIAN-KRWDZBQOSA-N 2 2 395.345 2.417 20 0 GEADLP Cn1cc(C[NH2+]CCCCNc2cccc[nH+]2)c(I)n1 ZINC000894225013 654457833 /nfs/dbraw/zinc/45/78/33/654457833.db2.gz JIGZTTWONMAGSY-UHFFFAOYSA-N 2 2 385.253 2.402 20 0 GEADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2cc(F)c(Br)cc2F)CC1 ZINC000926076194 654557929 /nfs/dbraw/zinc/55/79/29/654557929.db2.gz MUNHEAWRTOKAGL-UHFFFAOYSA-N 2 2 377.233 2.272 20 0 GEADLP C[C@@H]1CSCCC[NH+]1CCS(=O)(=O)CC[N@H+]1CCCSC[C@H]1C ZINC000934301446 654843563 /nfs/dbraw/zinc/84/35/63/654843563.db2.gz JSZPDQBXOBGLQN-HZPDHXFCSA-N 2 2 380.645 2.056 20 0 GEADLP C[C@@H]1CSCCC[NH+]1CCS(=O)(=O)CC[N@@H+]1CCCSC[C@H]1C ZINC000934301446 654843564 /nfs/dbraw/zinc/84/35/64/654843564.db2.gz JSZPDQBXOBGLQN-HZPDHXFCSA-N 2 2 380.645 2.056 20 0 GEADLP Cn1cc([C@H]2COC3(C2)CCN(c2cccc(N4CC[NH+](C)CC4)[nH+]2)CC3)cn1 ZINC001164699624 719826416 /nfs/dbraw/zinc/82/64/16/719826416.db2.gz YHIAWSNLZWMUJF-GOSISDBHSA-N 2 2 396.539 2.110 20 0 GEADLP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C2 ZINC001164814340 720138108 /nfs/dbraw/zinc/13/81/08/720138108.db2.gz RUBRXAYRTVUXFO-OFNKIYASSA-N 3 2 399.583 2.018 20 0 GEADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C2 ZINC001164814340 720138123 /nfs/dbraw/zinc/13/81/23/720138123.db2.gz RUBRXAYRTVUXFO-OFNKIYASSA-N 3 2 399.583 2.018 20 0 GEADLP CCN(CC)c1cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc[nH+]1 ZINC001164814546 720231209 /nfs/dbraw/zinc/23/12/09/720231209.db2.gz XTZLPFDKNMRRMZ-UHFFFAOYSA-N 2 2 399.543 2.130 20 0 GEADLP CCN(CC)c1cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc[nH+]1 ZINC001164814546 720231220 /nfs/dbraw/zinc/23/12/20/720231220.db2.gz XTZLPFDKNMRRMZ-UHFFFAOYSA-N 2 2 399.543 2.130 20 0 GEADLP Cc1c[nH+]c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc1NCC1CC1 ZINC001164733780 720548827 /nfs/dbraw/zinc/54/88/27/720548827.db2.gz SGNXZINXECDYBL-UHFFFAOYSA-N 2 2 381.528 2.462 20 0 GEADLP Cc1cc(N2CCCC2)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)[nH+]1 ZINC001164869220 721040559 /nfs/dbraw/zinc/04/05/59/721040559.db2.gz SIQBQMMCXIRMBE-UXHICEINSA-N 2 2 394.523 2.260 20 0 GEADLP Cc1cc(N2CCCC2)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)[nH+]1 ZINC001164869220 721040565 /nfs/dbraw/zinc/04/05/65/721040565.db2.gz SIQBQMMCXIRMBE-UXHICEINSA-N 2 2 394.523 2.260 20 0 GEADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)C[C@H]3C2)cn1 ZINC001164761349 721192609 /nfs/dbraw/zinc/19/26/09/721192609.db2.gz AUMYVJAHVJBXRD-RTBURBONSA-N 2 2 381.528 2.159 20 0 GEADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)C[C@H]3C2)cn1 ZINC001164761349 721192621 /nfs/dbraw/zinc/19/26/21/721192621.db2.gz AUMYVJAHVJBXRD-RTBURBONSA-N 2 2 381.528 2.159 20 0 GEADLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000162668232 531845079 /nfs/dbraw/zinc/84/50/79/531845079.db2.gz NLBLPHRPELDTNN-UHFFFAOYSA-N 2 2 377.286 2.426 20 0 GEADLP C[C@H](Oc1ccc(Br)cc1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177131551 532162999 /nfs/dbraw/zinc/16/29/99/532162999.db2.gz KRAFTHUVVCJUKQ-AWEZNQCLSA-N 2 2 398.345 2.359 20 0 GEADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000131325149 532196195 /nfs/dbraw/zinc/19/61/95/532196195.db2.gz JAZMWSRSCHZSHN-IAGOWNOFSA-N 2 2 386.323 2.441 20 0 GEADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000131325149 532196199 /nfs/dbraw/zinc/19/61/99/532196199.db2.gz JAZMWSRSCHZSHN-IAGOWNOFSA-N 2 2 386.323 2.441 20 0 GEADLP CCOc1c(Br)cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1OC ZINC000131476452 532197936 /nfs/dbraw/zinc/19/79/36/532197936.db2.gz DIONXLSYURMBEA-MRXNPFEDSA-N 2 2 375.307 2.259 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000181066779 532290175 /nfs/dbraw/zinc/29/01/75/532290175.db2.gz PJOMLLGVSJRRIC-UHFFFAOYSA-N 2 2 391.940 2.267 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000181066779 532290179 /nfs/dbraw/zinc/29/01/79/532290179.db2.gz PJOMLLGVSJRRIC-UHFFFAOYSA-N 2 2 391.940 2.267 20 0 GEADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000647530019 532375086 /nfs/dbraw/zinc/37/50/86/532375086.db2.gz CNGSOWGRVUKQOT-LSDHHAIUSA-N 2 2 377.312 2.170 20 0 GEADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000647530019 532375093 /nfs/dbraw/zinc/37/50/93/532375093.db2.gz CNGSOWGRVUKQOT-LSDHHAIUSA-N 2 2 377.312 2.170 20 0 GEADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000558102095 532385314 /nfs/dbraw/zinc/38/53/14/532385314.db2.gz ZINHZTVFULUVHS-WBMJQRKESA-N 2 2 386.309 2.449 20 0 GEADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000558102095 532385319 /nfs/dbraw/zinc/38/53/19/532385319.db2.gz ZINHZTVFULUVHS-WBMJQRKESA-N 2 2 386.309 2.449 20 0 GEADLP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000558102092 532385854 /nfs/dbraw/zinc/38/58/54/532385854.db2.gz ZINHZTVFULUVHS-BLLLJJGKSA-N 2 2 386.309 2.449 20 0 GEADLP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000558102092 532385862 /nfs/dbraw/zinc/38/58/62/532385862.db2.gz ZINHZTVFULUVHS-BLLLJJGKSA-N 2 2 386.309 2.449 20 0 GEADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc2c(cc1Br)OCCO2 ZINC000678755414 532401436 /nfs/dbraw/zinc/40/14/36/532401436.db2.gz DCVDXMFUAKXFOH-QWHCGFSZSA-N 2 2 385.302 2.328 20 0 GEADLP C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000517231140 532409518 /nfs/dbraw/zinc/40/95/18/532409518.db2.gz SNPUJAIQGFIXNS-OCCSQVGLSA-N 2 2 375.332 2.295 20 0 GEADLP C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CC[N@H+]1C ZINC000517231140 532409525 /nfs/dbraw/zinc/40/95/25/532409525.db2.gz SNPUJAIQGFIXNS-OCCSQVGLSA-N 2 2 375.332 2.295 20 0 GEADLP CN(C)C(=O)C[NH+]1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000649226325 532417466 /nfs/dbraw/zinc/41/74/66/532417466.db2.gz VTVRRWGRCGXXLH-UHFFFAOYSA-N 2 2 395.276 2.347 20 0 GEADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cc(Br)cc3[nH]cnc32)CC1 ZINC000282412773 532464990 /nfs/dbraw/zinc/46/49/90/532464990.db2.gz IESUPKZTCDBROQ-UHFFFAOYSA-N 2 2 394.317 2.081 20 0 GEADLP COCC[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000562811277 532484898 /nfs/dbraw/zinc/48/48/98/532484898.db2.gz HRQPKIBHYWZLSW-XJKSGUPXSA-N 2 2 389.327 2.355 20 0 GEADLP COCC[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000562811277 532484904 /nfs/dbraw/zinc/48/49/04/532484904.db2.gz HRQPKIBHYWZLSW-XJKSGUPXSA-N 2 2 389.327 2.355 20 0 GEADLP C[NH+](C)CC1CC[NH+](CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000430054025 532489316 /nfs/dbraw/zinc/48/93/16/532489316.db2.gz NZURJYONCFGTBX-UHFFFAOYSA-N 2 2 389.359 2.496 20 0 GEADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000562984980 532492656 /nfs/dbraw/zinc/49/26/56/532492656.db2.gz NQMGWGVYCJIOHM-CABCVRRESA-N 2 2 377.312 2.434 20 0 GEADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000562984980 532492661 /nfs/dbraw/zinc/49/26/61/532492661.db2.gz NQMGWGVYCJIOHM-CABCVRRESA-N 2 2 377.312 2.434 20 0 GEADLP C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430972342 532502813 /nfs/dbraw/zinc/50/28/13/532502813.db2.gz RUPLAZRAGHBVRA-SUNKGSAMSA-N 2 2 387.265 2.287 20 0 GEADLP C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430972342 532502818 /nfs/dbraw/zinc/50/28/18/532502818.db2.gz RUPLAZRAGHBVRA-SUNKGSAMSA-N 2 2 387.265 2.287 20 0 GEADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430972341 532503256 /nfs/dbraw/zinc/50/32/56/532503256.db2.gz RUPLAZRAGHBVRA-JTNHKYCSSA-N 2 2 387.265 2.287 20 0 GEADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430972341 532503260 /nfs/dbraw/zinc/50/32/60/532503260.db2.gz RUPLAZRAGHBVRA-JTNHKYCSSA-N 2 2 387.265 2.287 20 0 GEADLP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)Nc1cccc(I)c1 ZINC000521045001 532504328 /nfs/dbraw/zinc/50/43/28/532504328.db2.gz FDXLZKZMKAOQJH-INIZCTEOSA-N 2 2 399.276 2.305 20 0 GEADLP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)Nc1cccc(I)c1 ZINC000521045001 532504335 /nfs/dbraw/zinc/50/43/35/532504335.db2.gz FDXLZKZMKAOQJH-INIZCTEOSA-N 2 2 399.276 2.305 20 0 GEADLP C[NH2+]CCOCC[N@H+](C)Cc1ncc(Br)cc1Br ZINC000629654866 532498864 /nfs/dbraw/zinc/49/88/64/532498864.db2.gz SWCYKBYCDKQVST-UHFFFAOYSA-N 2 2 381.112 2.274 20 0 GEADLP C[NH2+]CCOCC[N@@H+](C)Cc1ncc(Br)cc1Br ZINC000629654866 532498870 /nfs/dbraw/zinc/49/88/70/532498870.db2.gz SWCYKBYCDKQVST-UHFFFAOYSA-N 2 2 381.112 2.274 20 0 GEADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccccc2Br)C[C@H](C)O1 ZINC000564864616 532535863 /nfs/dbraw/zinc/53/58/63/532535863.db2.gz PKRLYGJGEXMTQW-OOVXDXFJSA-N 2 2 383.330 2.365 20 0 GEADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccccc2Br)C[C@H](C)O1 ZINC000564864616 532535869 /nfs/dbraw/zinc/53/58/69/532535869.db2.gz PKRLYGJGEXMTQW-OOVXDXFJSA-N 2 2 383.330 2.365 20 0 GEADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)nc12 ZINC000564825586 532532497 /nfs/dbraw/zinc/53/24/97/532532497.db2.gz USOSFIZBYAQQMO-DLBZAZTESA-N 2 2 393.329 2.304 20 0 GEADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000653095864 532532831 /nfs/dbraw/zinc/53/28/31/532532831.db2.gz YMSANJBAHFXUNJ-MRXNPFEDSA-N 2 2 394.317 2.106 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3scnc3C(F)(F)F)CC2)CC1 ZINC000565550778 532569692 /nfs/dbraw/zinc/56/96/92/532569692.db2.gz VAFSIXLNHCXNNK-UHFFFAOYSA-N 2 2 376.448 2.450 20 0 GEADLP C[C@@H]1C[N@H+](Cc2ccc(Br)cc2C[NH+]2C[C@H](C)[C@H](O)C2)C[C@H]1O ZINC000433239698 532559227 /nfs/dbraw/zinc/55/92/27/532559227.db2.gz IIJYFZWVQROGFJ-JGTCGTHISA-N 2 2 383.330 2.074 20 0 GEADLP C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2C[NH+]2C[C@H](C)[C@H](O)C2)C[C@H]1O ZINC000433239698 532559228 /nfs/dbraw/zinc/55/92/28/532559228.db2.gz IIJYFZWVQROGFJ-JGTCGTHISA-N 2 2 383.330 2.074 20 0 GEADLP C[C@@H]1C[NH+](Cc2ccc(Br)cc2C[N@@H+]2C[C@H](C)[C@H](O)C2)C[C@H]1O ZINC000433239698 532559231 /nfs/dbraw/zinc/55/92/31/532559231.db2.gz IIJYFZWVQROGFJ-JGTCGTHISA-N 2 2 383.330 2.074 20 0 GEADLP C[C@@H]1C[NH+](Cc2ccc(Br)cc2C[N@H+]2C[C@H](C)[C@H](O)C2)C[C@H]1O ZINC000433239698 532559235 /nfs/dbraw/zinc/55/92/35/532559235.db2.gz IIJYFZWVQROGFJ-JGTCGTHISA-N 2 2 383.330 2.074 20 0 GEADLP OC[C@@H]1CC[NH+](Cc2cc(Br)ccc2C[N@H+]2CC[C@@H](CO)C2)C1 ZINC000249244239 532562106 /nfs/dbraw/zinc/56/21/06/532562106.db2.gz DOQBPIVSRVENTG-HUUCEWRRSA-N 2 2 383.330 2.078 20 0 GEADLP OC[C@@H]1CC[NH+](Cc2cc(Br)ccc2C[N@@H+]2CC[C@@H](CO)C2)C1 ZINC000249244239 532562112 /nfs/dbraw/zinc/56/21/12/532562112.db2.gz DOQBPIVSRVENTG-HUUCEWRRSA-N 2 2 383.330 2.078 20 0 GEADLP OC[C@@H]1CC[NH+](Cc2ccc(Br)cc2C[N@@H+]2CC[C@@H](CO)C2)C1 ZINC000249244239 532562119 /nfs/dbraw/zinc/56/21/19/532562119.db2.gz DOQBPIVSRVENTG-HUUCEWRRSA-N 2 2 383.330 2.078 20 0 GEADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]CCCNC(=O)C(F)(F)F)[C@@H](C)C2)s1 ZINC000375514698 532562936 /nfs/dbraw/zinc/56/29/36/532562936.db2.gz OBRCWEUPMMUBEE-FZMZJTMJSA-N 2 2 378.464 2.320 20 0 GEADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]CCCNC(=O)C(F)(F)F)[C@@H](C)C2)s1 ZINC000375514698 532562943 /nfs/dbraw/zinc/56/29/43/532562943.db2.gz OBRCWEUPMMUBEE-FZMZJTMJSA-N 2 2 378.464 2.320 20 0 GEADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2ncc(Br)cc2F)C1)[C@H]1CCC[NH2+]1 ZINC000631822478 532563049 /nfs/dbraw/zinc/56/30/49/532563049.db2.gz FJVKHIDKJBYMPN-SWLSCSKDSA-N 2 2 399.308 2.063 20 0 GEADLP O=C(NC[C@@H]1CCC[N@H+](Cc2ncc(Br)cc2F)C1)[C@H]1CCC[NH2+]1 ZINC000631822478 532563056 /nfs/dbraw/zinc/56/30/56/532563056.db2.gz FJVKHIDKJBYMPN-SWLSCSKDSA-N 2 2 399.308 2.063 20 0 GEADLP C[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000631835780 532564281 /nfs/dbraw/zinc/56/42/81/532564281.db2.gz XLWOTHRHMLBXKC-GFCCVEGCSA-N 2 2 389.283 2.442 20 0 GEADLP C[N@H+](Cc1nc(C(C)(C)[NH3+])no1)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000631835780 532564286 /nfs/dbraw/zinc/56/42/86/532564286.db2.gz XLWOTHRHMLBXKC-GFCCVEGCSA-N 2 2 389.283 2.442 20 0 GEADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3nc4ccccn4c3Br)C2)CC1 ZINC000284273691 532582832 /nfs/dbraw/zinc/58/28/32/532582832.db2.gz SPDDGZYFDZTCJW-HNNXBMFYSA-N 2 2 392.345 2.309 20 0 GEADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3nc4ccccn4c3Br)C2)CC1 ZINC000284273691 532582837 /nfs/dbraw/zinc/58/28/37/532582837.db2.gz SPDDGZYFDZTCJW-HNNXBMFYSA-N 2 2 392.345 2.309 20 0 GEADLP Clc1ccc(-n2cc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)nn2)c(Cl)c1 ZINC000262083876 532584396 /nfs/dbraw/zinc/58/43/96/532584396.db2.gz FPPDKSAJPGBTRJ-HNNXBMFYSA-N 2 2 381.311 2.054 20 0 GEADLP Clc1ccc(-n2cc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)nn2)c(Cl)c1 ZINC000262083876 532584400 /nfs/dbraw/zinc/58/44/00/532584400.db2.gz FPPDKSAJPGBTRJ-HNNXBMFYSA-N 2 2 381.311 2.054 20 0 GEADLP O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000375748379 532581355 /nfs/dbraw/zinc/58/13/55/532581355.db2.gz YMIQUMDCCVIFCS-CQSZACIVSA-N 2 2 376.507 2.196 20 0 GEADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000435380749 532614516 /nfs/dbraw/zinc/61/45/16/532614516.db2.gz PQAXXRCRDGGEMQ-ZDUSSCGKSA-N 2 2 385.302 2.480 20 0 GEADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000435380749 532614522 /nfs/dbraw/zinc/61/45/22/532614522.db2.gz PQAXXRCRDGGEMQ-ZDUSSCGKSA-N 2 2 385.302 2.480 20 0 GEADLP Brc1ccc(-n2cc(C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)cn2)cc1 ZINC000567159414 532643254 /nfs/dbraw/zinc/64/32/54/532643254.db2.gz YJCGNPCVADEITR-ROUUACIJSA-N 2 2 391.313 2.491 20 0 GEADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000534109136 532669192 /nfs/dbraw/zinc/66/91/92/532669192.db2.gz AZKSWYGKOZMTFG-CQSZACIVSA-N 2 2 385.295 2.289 20 0 GEADLP CN(C(=O)c1ccc(Br)cn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377638131 532665871 /nfs/dbraw/zinc/66/58/71/532665871.db2.gz ATWFDGITOJXOKS-OAHLLOKOSA-N 2 2 381.318 2.085 20 0 GEADLP CN(C(=O)c1ccc(Br)cn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377638131 532665878 /nfs/dbraw/zinc/66/58/78/532665878.db2.gz ATWFDGITOJXOKS-OAHLLOKOSA-N 2 2 381.318 2.085 20 0 GEADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000534109135 532668407 /nfs/dbraw/zinc/66/84/07/532668407.db2.gz AZKSWYGKOZMTFG-AWEZNQCLSA-N 2 2 385.295 2.289 20 0 GEADLP CC(C)Oc1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])ccc1Br ZINC000632961872 532652873 /nfs/dbraw/zinc/65/28/73/532652873.db2.gz UZPFTQCDSBQYFV-ZDUSSCGKSA-N 2 2 385.306 2.343 20 0 GEADLP CC(C)Oc1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])ccc1Br ZINC000632961872 532652882 /nfs/dbraw/zinc/65/28/82/532652882.db2.gz UZPFTQCDSBQYFV-ZDUSSCGKSA-N 2 2 385.306 2.343 20 0 GEADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnn2cc(Br)cnc12 ZINC000638180334 532684910 /nfs/dbraw/zinc/68/49/10/532684910.db2.gz KAFULWBPMMMRAM-OWCLPIDISA-N 2 2 394.317 2.175 20 0 GEADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cnn2cc(Br)cnc12 ZINC000638180334 532684917 /nfs/dbraw/zinc/68/49/17/532684917.db2.gz KAFULWBPMMMRAM-OWCLPIDISA-N 2 2 394.317 2.175 20 0 GEADLP O=C(C[NH2+][C@@H](CO)c1c(Cl)cccc1Cl)NC1CC[NH+](C2CC2)CC1 ZINC000483247463 532675711 /nfs/dbraw/zinc/67/57/11/532675711.db2.gz BGFFWKWMJWKBSN-INIZCTEOSA-N 2 2 386.323 2.359 20 0 GEADLP CCSc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(Br)c1 ZINC000600707613 532680065 /nfs/dbraw/zinc/68/00/65/532680065.db2.gz CNFCAIBBSVNQPI-WFASDCNBSA-N 2 2 384.343 2.305 20 0 GEADLP CCSc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(Br)c1 ZINC000600707613 532680070 /nfs/dbraw/zinc/68/00/70/532680070.db2.gz CNFCAIBBSVNQPI-WFASDCNBSA-N 2 2 384.343 2.305 20 0 GEADLP O=C(C[C@H]1COCC[NH2+]1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000285800437 532709496 /nfs/dbraw/zinc/70/94/96/532709496.db2.gz QCJSZOVUBWUBEX-HNNXBMFYSA-N 2 2 386.323 2.453 20 0 GEADLP O=C(C[NH+]1CCN(c2cc[nH+]c3cc(Br)ccc32)CC1)NC1CC1 ZINC000301259924 532747008 /nfs/dbraw/zinc/74/70/08/532747008.db2.gz BAERWOOQUZEIEH-UHFFFAOYSA-N 2 2 389.297 2.398 20 0 GEADLP C[NH+](C)CC(=O)N1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000301154643 532741687 /nfs/dbraw/zinc/74/16/87/532741687.db2.gz QZBFUXFGGVWKFE-UHFFFAOYSA-N 2 2 377.286 2.208 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)[nH+]c12 ZINC000542767965 532779689 /nfs/dbraw/zinc/77/96/89/532779689.db2.gz GWPLGYDCHSBQNY-CYBMUJFWSA-N 2 2 392.301 2.441 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3CC[N@H+](C4CC4)C3)[nH+]c12 ZINC000542767965 532779694 /nfs/dbraw/zinc/77/96/94/532779694.db2.gz GWPLGYDCHSBQNY-CYBMUJFWSA-N 2 2 392.301 2.441 20 0 GEADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ncsc2Br)CC1 ZINC000584549337 532769748 /nfs/dbraw/zinc/76/97/48/532769748.db2.gz WGQGVGGYKIGWQW-UHFFFAOYSA-N 2 2 382.287 2.305 20 0 GEADLP C[C@H](CC[NH+]1C[C@@H](C)S(=O)[C@H](C)C1)CC[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000411625352 532771286 /nfs/dbraw/zinc/77/12/86/532771286.db2.gz VYFOSJHMAWUQGI-ZMLOMTPCSA-N 2 2 376.632 2.085 20 0 GEADLP C[C@H](CC[NH+]1C[C@@H](C)S(=O)[C@H](C)C1)CC[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000411625352 532771290 /nfs/dbraw/zinc/77/12/90/532771290.db2.gz VYFOSJHMAWUQGI-ZMLOMTPCSA-N 2 2 376.632 2.085 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)C[N@@H+](C)[C@H]3CCSC3)[nH+]c12 ZINC000546819762 532786173 /nfs/dbraw/zinc/78/61/73/532786173.db2.gz AJMMOSGWHKTYAJ-AWEZNQCLSA-N 2 2 397.342 2.459 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)C[N@H+](C)[C@H]3CCSC3)[nH+]c12 ZINC000546819762 532786175 /nfs/dbraw/zinc/78/61/75/532786175.db2.gz AJMMOSGWHKTYAJ-AWEZNQCLSA-N 2 2 397.342 2.459 20 0 GEADLP CS(=O)(=O)N1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000271548304 532808988 /nfs/dbraw/zinc/80/89/88/532808988.db2.gz UOTGQCDALKUVSF-HNNXBMFYSA-N 2 2 385.961 2.176 20 0 GEADLP CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000459668798 532797123 /nfs/dbraw/zinc/79/71/23/532797123.db2.gz UEBNAIRKACNZOQ-GFCCVEGCSA-N 2 2 395.301 2.028 20 0 GEADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000414125109 532819345 /nfs/dbraw/zinc/81/93/45/532819345.db2.gz MCBHNNOCWNJWFD-SECBINFHSA-N 2 2 377.297 2.268 20 0 GEADLP CN(C)c1[nH+]cc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)n1C ZINC000414352240 532821825 /nfs/dbraw/zinc/82/18/25/532821825.db2.gz WRLPFGRPFFEJKU-UHFFFAOYSA-N 2 2 394.317 2.158 20 0 GEADLP Cc1[nH+]ccn1CCNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273651529 532829941 /nfs/dbraw/zinc/82/99/41/532829941.db2.gz ITNMKWOMTHEXNH-UHFFFAOYSA-N 2 2 391.273 2.410 20 0 GEADLP COc1sc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1Br ZINC000415125023 532837854 /nfs/dbraw/zinc/83/78/54/532837854.db2.gz KYFCTSUXFMRXSB-LLVKDONJSA-N 2 2 386.319 2.407 20 0 GEADLP COc1sc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1Br ZINC000415125023 532837858 /nfs/dbraw/zinc/83/78/58/532837858.db2.gz KYFCTSUXFMRXSB-LLVKDONJSA-N 2 2 386.319 2.407 20 0 GEADLP O=C1N[C@@H]2C[N@H+](Cc3cccc(Br)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415137703 532838547 /nfs/dbraw/zinc/83/85/47/532838547.db2.gz JCPDIBPIXLLXJE-IAGOWNOFSA-N 2 2 393.329 2.169 20 0 GEADLP O=C1N[C@@H]2C[N@@H+](Cc3cccc(Br)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415137703 532838548 /nfs/dbraw/zinc/83/85/48/532838548.db2.gz JCPDIBPIXLLXJE-IAGOWNOFSA-N 2 2 393.329 2.169 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[NH2+][C@@H](C)[C@@H]3C)[nH+]c12 ZINC000332281523 532851311 /nfs/dbraw/zinc/85/13/11/532851311.db2.gz IAVGDWJHZQOJHA-RYUDHWBXSA-N 2 2 380.290 2.297 20 0 GEADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)nc1 ZINC000289629656 532861055 /nfs/dbraw/zinc/86/10/55/532861055.db2.gz HFGWKVMGPWACPW-UKRRQHHQSA-N 2 2 383.334 2.437 20 0 GEADLP CCc1ccc(C[NH+]2CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC2)s1 ZINC000416007057 532863060 /nfs/dbraw/zinc/86/30/60/532863060.db2.gz MIRUFBHQVNHZBC-CQSZACIVSA-N 2 2 378.464 2.417 20 0 GEADLP Cc1cc(S(=O)(=O)NCC[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c(C)s1 ZINC000422998339 532893068 /nfs/dbraw/zinc/89/30/68/532893068.db2.gz PVXUMJYUPRSRMS-RHSMWYFYSA-N 2 2 381.567 2.191 20 0 GEADLP Brc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000362632769 532896634 /nfs/dbraw/zinc/89/66/34/532896634.db2.gz BHKGWEHJVHKUSE-DNVCBOLYSA-N 2 2 394.357 2.433 20 0 GEADLP Cn1c[nH+]cc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000292242317 532914596 /nfs/dbraw/zinc/91/45/96/532914596.db2.gz GOABVLHGLKRYND-UHFFFAOYSA-N 2 2 394.317 2.456 20 0 GEADLP O=S(=O)(c1cccs1)N1CCC([NH2+]CCCNc2cccc[nH+]2)CC1 ZINC000370661820 532944829 /nfs/dbraw/zinc/94/48/29/532944829.db2.gz HJQPAFWEBJKRHY-UHFFFAOYSA-N 2 2 380.539 2.388 20 0 GEADLP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@H](C)[NH+]3CCSCC3)[C@@H](C)C2)s1 ZINC000371018034 532946506 /nfs/dbraw/zinc/94/65/06/532946506.db2.gz VMCHRVUEQOTEHF-ZQIUZPCESA-N 2 2 382.599 2.215 20 0 GEADLP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)[C@H](C)[NH+]3CCSCC3)[C@@H](C)C2)s1 ZINC000371018034 532946507 /nfs/dbraw/zinc/94/65/07/532946507.db2.gz VMCHRVUEQOTEHF-ZQIUZPCESA-N 2 2 382.599 2.215 20 0 GEADLP CCn1nc2c(cc1=O)C[N@@H+](Cc1c[nH+]c3ccc(Br)cn13)CC2 ZINC000371324795 532947492 /nfs/dbraw/zinc/94/74/92/532947492.db2.gz AMOQUAFOTJVVCY-UHFFFAOYSA-N 2 2 388.269 2.232 20 0 GEADLP CCn1nc2c(cc1=O)C[N@H+](Cc1c[nH+]c3ccc(Br)cn13)CC2 ZINC000371324795 532947493 /nfs/dbraw/zinc/94/74/93/532947493.db2.gz AMOQUAFOTJVVCY-UHFFFAOYSA-N 2 2 388.269 2.232 20 0 GEADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737501877 598356799 /nfs/dbraw/zinc/35/67/99/598356799.db2.gz VTFJLLCAALIYOO-QGZVFWFLSA-N 2 2 380.456 2.037 20 0 GEADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737501877 598356801 /nfs/dbraw/zinc/35/68/01/598356801.db2.gz VTFJLLCAALIYOO-QGZVFWFLSA-N 2 2 380.456 2.037 20 0 GEADLP O=C(CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737840172 598762879 /nfs/dbraw/zinc/76/28/79/598762879.db2.gz ZZXWCYLFXCIRDK-OAHLLOKOSA-N 2 2 392.467 2.024 20 0 GEADLP O=C(CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000737840172 598762881 /nfs/dbraw/zinc/76/28/81/598762881.db2.gz ZZXWCYLFXCIRDK-OAHLLOKOSA-N 2 2 392.467 2.024 20 0 GEADLP CC[C@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)CC[N@@H+]1C[C@@H](C)O ZINC000820995795 599534246 /nfs/dbraw/zinc/53/42/46/599534246.db2.gz YIAPNIADUGFWLX-CABCVRRESA-N 2 2 381.484 2.005 20 0 GEADLP CC[C@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)CC[N@H+]1C[C@@H](C)O ZINC000820995795 599534249 /nfs/dbraw/zinc/53/42/49/599534249.db2.gz YIAPNIADUGFWLX-CABCVRRESA-N 2 2 381.484 2.005 20 0 GEADLP Cc1cccc2c(NC3CC[NH+](C[C@H]4CCOC4)CC3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822337413 599565047 /nfs/dbraw/zinc/56/50/47/599565047.db2.gz XXHJMVGNNZEARZ-OAHLLOKOSA-N 2 2 393.495 2.058 20 0 GEADLP COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000826176036 607477665 /nfs/dbraw/zinc/47/76/65/607477665.db2.gz YIIJNSJTYUVCAS-SJLPKXTDSA-N 2 2 398.511 2.203 20 0 GEADLP COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000826176036 607477666 /nfs/dbraw/zinc/47/76/66/607477666.db2.gz YIIJNSJTYUVCAS-SJLPKXTDSA-N 2 2 398.511 2.203 20 0 GEADLP COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000826176036 607477667 /nfs/dbraw/zinc/47/76/67/607477667.db2.gz YIIJNSJTYUVCAS-SJLPKXTDSA-N 2 2 398.511 2.203 20 0 GEADLP COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000826176036 607477668 /nfs/dbraw/zinc/47/76/68/607477668.db2.gz YIIJNSJTYUVCAS-SJLPKXTDSA-N 2 2 398.511 2.203 20 0 GEADLP O=C(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407294 607478417 /nfs/dbraw/zinc/47/84/17/607478417.db2.gz HUBHYVSALVJKJY-VQIMIIECSA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407294 607478419 /nfs/dbraw/zinc/47/84/19/607478419.db2.gz HUBHYVSALVJKJY-VQIMIIECSA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407294 607478421 /nfs/dbraw/zinc/47/84/21/607478421.db2.gz HUBHYVSALVJKJY-VQIMIIECSA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407294 607478422 /nfs/dbraw/zinc/47/84/22/607478422.db2.gz HUBHYVSALVJKJY-VQIMIIECSA-N 2 2 395.511 2.144 20 0 GEADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)c2ccccc2)CC1 ZINC000821627004 607478800 /nfs/dbraw/zinc/47/88/00/607478800.db2.gz IWHXZERDMAISGM-HXUWFJFHSA-N 2 2 395.486 2.084 20 0 GEADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826330757 607543027 /nfs/dbraw/zinc/54/30/27/607543027.db2.gz HFNDDDPZYIEZNN-UHFFFAOYSA-N 2 2 377.456 2.215 20 0 GEADLP Cc1[nH+]ccn1CCC[N@H+](C)Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826330757 607543028 /nfs/dbraw/zinc/54/30/28/607543028.db2.gz HFNDDDPZYIEZNN-UHFFFAOYSA-N 2 2 377.456 2.215 20 0 GEADLP CC(C)OCC[NH+]1CCC(Nc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000820146046 606163861 /nfs/dbraw/zinc/16/38/61/606163861.db2.gz JFNXFGHUARTCMC-UHFFFAOYSA-N 2 2 381.484 2.138 20 0 GEADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CC[NH+](C2CCOCC2)CC1 ZINC000822337198 606164893 /nfs/dbraw/zinc/16/48/93/606164893.db2.gz VFGSBCFRZZLYJR-UHFFFAOYSA-N 2 2 379.468 2.024 20 0 GEADLP C[NH+](C)C1CC[NH+](CCNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1 ZINC000821582860 606402880 /nfs/dbraw/zinc/40/28/80/606402880.db2.gz AEDQEEZYUBTBOK-UHFFFAOYSA-N 2 2 383.422 2.323 20 0 GEADLP Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1-c1nn[nH]n1 ZINC000826332624 608315532 /nfs/dbraw/zinc/31/55/32/608315532.db2.gz ZVUOJDSFFLFOAO-KRWDZBQOSA-N 2 2 392.511 2.279 20 0 GEADLP Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1-c1nn[nH]n1 ZINC000826332624 608315534 /nfs/dbraw/zinc/31/55/34/608315534.db2.gz ZVUOJDSFFLFOAO-KRWDZBQOSA-N 2 2 392.511 2.279 20 0 GEADLP C[NH+](C)[C@H](CNc1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21)C1CC1 ZINC000825851574 608377769 /nfs/dbraw/zinc/37/77/69/608377769.db2.gz WEYJKFSDWXGZBN-OAHLLOKOSA-N 2 2 389.410 2.190 20 0 GEADLP Cn1cc(C[NH2+]CCCNc2cccc[nH+]2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361859 609341852 /nfs/dbraw/zinc/34/18/52/609341852.db2.gz SIJZFAKBFUFORW-UHFFFAOYSA-N 2 2 389.467 2.254 20 0 GEADLP C[C@H]([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000824562021 609441321 /nfs/dbraw/zinc/44/13/21/609441321.db2.gz BCZKRHHRVOMNLR-LBPRGKRZSA-N 2 2 394.464 2.403 20 0 GEADLP Brc1ccc(C[N@H+](CCCN2CCOCC2)CCn2cc[nH+]c2)o1 ZINC000510890959 650520787 /nfs/dbraw/zinc/52/07/87/650520787.db2.gz YYNHVMAYPNTEDJ-UHFFFAOYSA-N 2 2 397.317 2.463 20 0 GEADLP Brc1ccc(C[N@@H+](CCCN2CCOCC2)CCn2cc[nH+]c2)o1 ZINC000510890959 650520790 /nfs/dbraw/zinc/52/07/90/650520790.db2.gz YYNHVMAYPNTEDJ-UHFFFAOYSA-N 2 2 397.317 2.463 20 0 GEADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000479248547 650600087 /nfs/dbraw/zinc/60/00/87/650600087.db2.gz GTTSMBVYPJXTTJ-QGZVFWFLSA-N 2 2 398.389 2.360 20 0 GEADLP C[NH+](C)[C@]1(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CCSC1 ZINC000480275680 650618770 /nfs/dbraw/zinc/61/87/70/650618770.db2.gz QNNIAQKGAKHSHL-HKUYNNGSSA-N 2 2 379.595 2.330 20 0 GEADLP [NH3+]CCC1CC[NH+](CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000070188151 643050365 /nfs/dbraw/zinc/05/03/65/643050365.db2.gz FBNBURNWWJFBLO-UHFFFAOYSA-N 2 2 375.332 2.284 20 0 GEADLP CCS(=O)(=O)N1CCC(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000543628660 650916172 /nfs/dbraw/zinc/91/61/72/650916172.db2.gz VQSZKLSICMKMFA-UHFFFAOYSA-N 2 2 385.496 2.055 20 0 GEADLP Cn1ncc(Br)c1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000278820371 646553218 /nfs/dbraw/zinc/55/32/18/646553218.db2.gz TXHCCGQLABMETF-INIZCTEOSA-N 2 2 393.329 2.429 20 0 GEADLP Cn1ncc(Br)c1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000278820371 646553223 /nfs/dbraw/zinc/55/32/23/646553223.db2.gz TXHCCGQLABMETF-INIZCTEOSA-N 2 2 393.329 2.429 20 0 GEADLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280758747 646713689 /nfs/dbraw/zinc/71/36/89/646713689.db2.gz QMSAZLIQUFOZDC-GHMZBOCLSA-N 2 2 378.336 2.087 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CC[NH2+]C[C@H]3C)[nH+]c12 ZINC000418017931 648270387 /nfs/dbraw/zinc/27/03/87/648270387.db2.gz HYHKZFUHYBDOJF-IUODEOHRSA-N 2 2 394.317 2.245 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CC[NH2+][C@@H](C)C3)[nH+]c12 ZINC000418016699 648270524 /nfs/dbraw/zinc/27/05/24/648270524.db2.gz GDODNPAGKVSRMX-JSGCOSHPSA-N 2 2 394.317 2.387 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)NC[C@H]([NH3+])C(C)C)[nH+]c12 ZINC000418020275 648271353 /nfs/dbraw/zinc/27/13/53/648271353.db2.gz MZQOVVJMRPJIFR-AWEZNQCLSA-N 2 2 382.306 2.230 20 0 GEADLP CCC[NH2+]CCNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000418026589 648272352 /nfs/dbraw/zinc/27/23/52/648272352.db2.gz WFCITPUXJDKGAP-UHFFFAOYSA-N 2 2 382.306 2.247 20 0 GEADLP O=C(NC[C@H]1CCC[NH2+]1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000418365362 648294700 /nfs/dbraw/zinc/29/47/00/648294700.db2.gz JSHDKSXTAMUQKS-CYBMUJFWSA-N 2 2 396.289 2.202 20 0 GEADLP [NH3+]C[C@@H](NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1CC1 ZINC000418397447 648296658 /nfs/dbraw/zinc/29/66/58/648296658.db2.gz JIMITWXMRCZGFG-CQSZACIVSA-N 2 2 396.289 2.188 20 0 GEADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000420382272 648414928 /nfs/dbraw/zinc/41/49/28/648414928.db2.gz ZSVVLPDPJVSWJH-CYBMUJFWSA-N 2 2 387.265 2.207 20 0 GEADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(Br)cn3C)CC2)CC1 ZINC000422006586 648517403 /nfs/dbraw/zinc/51/74/03/648517403.db2.gz MBZJOKQYKBXNNZ-UHFFFAOYSA-N 2 2 397.361 2.420 20 0 GEADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(Br)cn3C)CC2)CC1 ZINC000422006586 648517410 /nfs/dbraw/zinc/51/74/10/648517410.db2.gz MBZJOKQYKBXNNZ-UHFFFAOYSA-N 2 2 397.361 2.420 20 0 GEADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ncccc3Br)CC2)CC1 ZINC000422012753 648517822 /nfs/dbraw/zinc/51/78/22/648517822.db2.gz DSGSQTMFQZVGRR-UHFFFAOYSA-N 2 2 395.345 2.476 20 0 GEADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ncccc3Br)CC2)CC1 ZINC000422012753 648517829 /nfs/dbraw/zinc/51/78/29/648517829.db2.gz DSGSQTMFQZVGRR-UHFFFAOYSA-N 2 2 395.345 2.476 20 0 GEADLP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422957003 648578909 /nfs/dbraw/zinc/57/89/09/648578909.db2.gz RWLWWCFTXWOFJJ-WMZOPIPTSA-N 2 2 396.329 2.443 20 0 GEADLP [NH3+][C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)c2ccccc21 ZINC000423112692 648581538 /nfs/dbraw/zinc/58/15/38/648581538.db2.gz JZVNCRGCTKPAGZ-HOTGVXAUSA-N 2 2 383.876 2.492 20 0 GEADLP Cc1ccc(C[C@H](CO)C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)cc1Br ZINC000423149860 648584575 /nfs/dbraw/zinc/58/45/75/648584575.db2.gz BBDYFCLDKIZYOK-BHYGNILZSA-N 2 2 385.346 2.265 20 0 GEADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)s1 ZINC000425424067 648675816 /nfs/dbraw/zinc/67/58/16/648675816.db2.gz RMEANDKOABCXAB-CQSZACIVSA-N 2 2 382.555 2.187 20 0 GEADLP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)s1 ZINC000425424067 648675823 /nfs/dbraw/zinc/67/58/23/648675823.db2.gz RMEANDKOABCXAB-CQSZACIVSA-N 2 2 382.555 2.187 20 0 GEADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000559636518 651299574 /nfs/dbraw/zinc/29/95/74/651299574.db2.gz CJCNNKBVCXCCDR-KRWDZBQOSA-N 2 2 385.346 2.352 20 0 GEADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000559636518 651299578 /nfs/dbraw/zinc/29/95/78/651299578.db2.gz CJCNNKBVCXCCDR-KRWDZBQOSA-N 2 2 385.346 2.352 20 0 GEADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000559636518 651299582 /nfs/dbraw/zinc/29/95/82/651299582.db2.gz CJCNNKBVCXCCDR-KRWDZBQOSA-N 2 2 385.346 2.352 20 0 GEADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000559636518 651299585 /nfs/dbraw/zinc/29/95/85/651299585.db2.gz CJCNNKBVCXCCDR-KRWDZBQOSA-N 2 2 385.346 2.352 20 0 GEADLP O=S(=O)(C[C@H](O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccs1 ZINC000560910904 651472160 /nfs/dbraw/zinc/47/21/60/651472160.db2.gz PYWFGSCPWPVLFL-QGZVFWFLSA-N 2 2 386.583 2.269 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3CCC[C@@H](C[NH3+])C3)[nH+]c12 ZINC000563584085 651534271 /nfs/dbraw/zinc/53/42/71/651534271.db2.gz DHUWTWNNFXYFQV-ZDUSSCGKSA-N 2 2 394.317 2.328 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3cscc3Br)C2)CC1 ZINC000645407727 651602122 /nfs/dbraw/zinc/60/21/22/651602122.db2.gz VQTCQSXUFSVKCR-ZDUSSCGKSA-N 2 2 386.359 2.338 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3cscc3Br)C2)CC1 ZINC000645407727 651602129 /nfs/dbraw/zinc/60/21/29/651602129.db2.gz VQTCQSXUFSVKCR-ZDUSSCGKSA-N 2 2 386.359 2.338 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3cscc3Br)C2)CC1 ZINC000645407726 651602293 /nfs/dbraw/zinc/60/22/93/651602293.db2.gz VQTCQSXUFSVKCR-CYBMUJFWSA-N 2 2 386.359 2.338 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3cscc3Br)C2)CC1 ZINC000645407726 651602298 /nfs/dbraw/zinc/60/22/98/651602298.db2.gz VQTCQSXUFSVKCR-CYBMUJFWSA-N 2 2 386.359 2.338 20 0 GEADLP C[C@]([NH3+])(C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Br)cc1 ZINC000646264986 651684382 /nfs/dbraw/zinc/68/43/82/651684382.db2.gz IEOQDQZIVNCMKS-MAUKXSAKSA-N 2 2 389.297 2.413 20 0 GEADLP O=C(CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1)Nc1cccc(Br)c1 ZINC000572539192 651898900 /nfs/dbraw/zinc/89/89/00/651898900.db2.gz YPQPQNJJAWURJL-UHFFFAOYSA-N 2 2 378.274 2.323 20 0 GEADLP NC(=O)[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349647 651916061 /nfs/dbraw/zinc/91/60/61/651916061.db2.gz WSRMZMVZOIOQNA-ORQFMDKSSA-N 2 2 396.329 2.194 20 0 GEADLP NC(=O)[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349647 651916069 /nfs/dbraw/zinc/91/60/69/651916069.db2.gz WSRMZMVZOIOQNA-ORQFMDKSSA-N 2 2 396.329 2.194 20 0 GEADLP C[C@H](Oc1ccccc1Br)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617766267 651971910 /nfs/dbraw/zinc/97/19/10/651971910.db2.gz DJPBNONUCDKPFM-AWEZNQCLSA-N 2 2 386.334 2.216 20 0 GEADLP C[C@H](Oc1ccccc1Br)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617766267 651971914 /nfs/dbraw/zinc/97/19/14/651971914.db2.gz DJPBNONUCDKPFM-AWEZNQCLSA-N 2 2 386.334 2.216 20 0 GEADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000746364244 652101449 /nfs/dbraw/zinc/10/14/49/652101449.db2.gz QVQIRCOCGYJRIP-LSDHHAIUSA-N 2 2 388.965 2.026 20 0 GEADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)C1 ZINC000746364244 652101460 /nfs/dbraw/zinc/10/14/60/652101460.db2.gz QVQIRCOCGYJRIP-LSDHHAIUSA-N 2 2 388.965 2.026 20 0 GEADLP O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000578011521 652235647 /nfs/dbraw/zinc/23/56/47/652235647.db2.gz UPOKZEHKBFBELC-UXLLHSPISA-N 2 2 378.314 2.264 20 0 GEADLP CSc1ccc(Cl)cc1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000658426955 652269552 /nfs/dbraw/zinc/26/95/52/652269552.db2.gz LNSMYGHNWAUGTC-UHFFFAOYSA-N 2 2 386.949 2.000 20 0 GEADLP CSc1ccc(Cl)cc1NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000658426955 652269559 /nfs/dbraw/zinc/26/95/59/652269559.db2.gz LNSMYGHNWAUGTC-UHFFFAOYSA-N 2 2 386.949 2.000 20 0 GEADLP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000579945135 652360572 /nfs/dbraw/zinc/36/05/72/652360572.db2.gz PEWQKNBMMNGHSS-BPNCWPANSA-N 2 2 380.290 2.076 20 0 GEADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](Sc3ccc(Br)cc3)C2)CC1 ZINC000625704396 652368535 /nfs/dbraw/zinc/36/85/35/652368535.db2.gz MDYYAQVWYOKUED-INIZCTEOSA-N 2 2 398.370 2.390 20 0 GEADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](Sc3ccc(Br)cc3)C2)CC1 ZINC000625704396 652368536 /nfs/dbraw/zinc/36/85/36/652368536.db2.gz MDYYAQVWYOKUED-INIZCTEOSA-N 2 2 398.370 2.390 20 0 GEADLP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1occc1Br ZINC000753849271 652418985 /nfs/dbraw/zinc/41/89/85/652418985.db2.gz BQLKXBBJOWZRCO-INIZCTEOSA-N 2 2 394.313 2.421 20 0 GEADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000582010702 652431802 /nfs/dbraw/zinc/43/18/02/652431802.db2.gz AFCWGIGRYSTQSA-QGZVFWFLSA-N 2 2 398.345 2.412 20 0 GEADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000582010702 652431806 /nfs/dbraw/zinc/43/18/06/652431806.db2.gz AFCWGIGRYSTQSA-QGZVFWFLSA-N 2 2 398.345 2.412 20 0 GEADLP O[C@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662162108 652449970 /nfs/dbraw/zinc/44/99/70/652449970.db2.gz ZWVCUEZZDDJZLY-CVEARBPZSA-N 2 2 389.323 2.264 20 0 GEADLP O[C@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662162108 652449971 /nfs/dbraw/zinc/44/99/71/652449971.db2.gz ZWVCUEZZDDJZLY-CVEARBPZSA-N 2 2 389.323 2.264 20 0 GEADLP C[NH2+][C@@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1cccc(Cl)c1Cl ZINC000662476689 652463374 /nfs/dbraw/zinc/46/33/74/652463374.db2.gz OLWNPNIEHGTIFV-CXAGYDPISA-N 2 2 386.323 2.435 20 0 GEADLP C[NH2+][C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cccc(Cl)c1Cl ZINC000662716625 652471127 /nfs/dbraw/zinc/47/11/27/652471127.db2.gz GRHJXGMDRHEBQN-INMHGKMJSA-N 2 2 386.323 2.312 20 0 GEADLP O=S(=O)(CC[NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(Br)c1 ZINC000583495439 652487353 /nfs/dbraw/zinc/48/73/53/652487353.db2.gz FMYIDZIRZIQNRZ-ZDUSSCGKSA-N 2 2 384.299 2.024 20 0 GEADLP COc1ncc(Br)cc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000629591930 652494578 /nfs/dbraw/zinc/49/45/78/652494578.db2.gz UHDJXFBYJJDHKK-MRXNPFEDSA-N 2 2 384.318 2.443 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1csc(Br)c1 ZINC000663705630 652509603 /nfs/dbraw/zinc/50/96/03/652509603.db2.gz SSGULIZXJIFNDH-UHFFFAOYSA-N 2 2 377.352 2.193 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1csc(Br)c1 ZINC000663705630 652509605 /nfs/dbraw/zinc/50/96/05/652509605.db2.gz SSGULIZXJIFNDH-UHFFFAOYSA-N 2 2 377.352 2.193 20 0 GEADLP C[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000634727485 652660156 /nfs/dbraw/zinc/66/01/56/652660156.db2.gz WUPRHUHALJTHFN-NEPJUHHUSA-N 2 2 386.327 2.129 20 0 GEADLP CN(C(=O)c1ncccc1Br)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000684440070 653265745 /nfs/dbraw/zinc/26/57/45/653265745.db2.gz NEMFZXXRBHIEOO-CQSZACIVSA-N 2 2 381.318 2.085 20 0 GEADLP CN(C(=O)c1ncccc1Br)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000684440070 653265748 /nfs/dbraw/zinc/26/57/48/653265748.db2.gz NEMFZXXRBHIEOO-CQSZACIVSA-N 2 2 381.318 2.085 20 0 GEADLP Cc1cc(Br)cc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000774989206 653278763 /nfs/dbraw/zinc/27/87/63/653278763.db2.gz KVGYMTVBLDHQAV-SFHVURJKSA-N 2 2 382.346 2.254 20 0 GEADLP Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000858244885 653356868 /nfs/dbraw/zinc/35/68/68/653356868.db2.gz JVQTXRNEMRQGAB-LSDHHAIUSA-N 2 2 388.965 2.026 20 0 GEADLP Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000858244885 653356873 /nfs/dbraw/zinc/35/68/73/653356873.db2.gz JVQTXRNEMRQGAB-LSDHHAIUSA-N 2 2 388.965 2.026 20 0 GEADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3c(Cl)nn(C)c3Cl)CC2)CC1 ZINC000862019291 653673954 /nfs/dbraw/zinc/67/39/54/653673954.db2.gz PURUUUHHWMIDEQ-UHFFFAOYSA-N 2 2 388.343 2.359 20 0 GEADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3c(Cl)nn(C)c3Cl)CC2)CC1 ZINC000862019291 653673956 /nfs/dbraw/zinc/67/39/56/653673956.db2.gz PURUUUHHWMIDEQ-UHFFFAOYSA-N 2 2 388.343 2.359 20 0 GEADLP Cn1nc(Br)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000785476365 653709797 /nfs/dbraw/zinc/70/97/97/653709797.db2.gz YCFUXLYOJJTDIF-WBVHZDCISA-N 2 2 393.329 2.155 20 0 GEADLP Cn1nc(Br)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000785476365 653709798 /nfs/dbraw/zinc/70/97/98/653709798.db2.gz YCFUXLYOJJTDIF-WBVHZDCISA-N 2 2 393.329 2.155 20 0 GEADLP COCC[N@@H+]1CC[C@H](Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)C1 ZINC000786976405 653732297 /nfs/dbraw/zinc/73/22/97/653732297.db2.gz HEEMMJKYUOCRHK-INIZCTEOSA-N 2 2 397.361 2.334 20 0 GEADLP COCC[N@H+]1CC[C@H](Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)C1 ZINC000786976405 653732300 /nfs/dbraw/zinc/73/23/00/653732300.db2.gz HEEMMJKYUOCRHK-INIZCTEOSA-N 2 2 397.361 2.334 20 0 GEADLP CC[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1)[NH+](C)C ZINC000787673115 653741960 /nfs/dbraw/zinc/74/19/60/653741960.db2.gz VANRAZHFYLZBTR-OAHLLOKOSA-N 2 2 383.334 2.480 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCC[C@@H]3CC3(Cl)Cl)C2)CC1 ZINC000844984665 653831574 /nfs/dbraw/zinc/83/15/74/653831574.db2.gz NMIFLWCXOUAQDR-KGLIPLIRSA-N 2 2 377.360 2.428 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCC[C@@H]3CC3(Cl)Cl)C2)CC1 ZINC000844984665 653831582 /nfs/dbraw/zinc/83/15/82/653831582.db2.gz NMIFLWCXOUAQDR-KGLIPLIRSA-N 2 2 377.360 2.428 20 0 GEADLP CN(C)c1nc(Cl)c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000823267206 653859934 /nfs/dbraw/zinc/85/99/34/653859934.db2.gz QWPSIBRGUWFFKO-CYBMUJFWSA-N 2 2 385.965 2.103 20 0 GEADLP CN(C)c1nc(Cl)c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000823267206 653859939 /nfs/dbraw/zinc/85/99/39/653859939.db2.gz QWPSIBRGUWFFKO-CYBMUJFWSA-N 2 2 385.965 2.103 20 0 GEADLP [NH3+][C@H](C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Br)cc1 ZINC000884317281 653872058 /nfs/dbraw/zinc/87/20/58/653872058.db2.gz QGQCUJGHMXHHNF-HOCLYGCPSA-N 2 2 375.270 2.239 20 0 GEADLP CN(C(=O)c1nc(F)ccc1Br)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000847484331 653930500 /nfs/dbraw/zinc/93/05/00/653930500.db2.gz BHFKMNOQNZDPBP-ZDUSSCGKSA-N 2 2 399.308 2.224 20 0 GEADLP CN(C(=O)c1nc(F)ccc1Br)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000847484331 653930503 /nfs/dbraw/zinc/93/05/03/653930503.db2.gz BHFKMNOQNZDPBP-ZDUSSCGKSA-N 2 2 399.308 2.224 20 0 GEADLP C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000850518215 654081168 /nfs/dbraw/zinc/08/11/68/654081168.db2.gz COAWHKZEXBGRMJ-ZBFHGGJFSA-N 2 2 378.460 2.464 20 0 GEADLP C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850518215 654081170 /nfs/dbraw/zinc/08/11/70/654081170.db2.gz COAWHKZEXBGRMJ-ZBFHGGJFSA-N 2 2 378.460 2.464 20 0 GEADLP O=S(=O)(CC1CC[NH2+]CC1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000905332741 654351006 /nfs/dbraw/zinc/35/10/06/654351006.db2.gz KLVOURKSPLNFLR-UHFFFAOYSA-N 2 2 385.961 2.177 20 0 GEADLP O=S(=O)(CC1CC[NH2+]CC1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000905332741 654351011 /nfs/dbraw/zinc/35/10/11/654351011.db2.gz KLVOURKSPLNFLR-UHFFFAOYSA-N 2 2 385.961 2.177 20 0 GEADLP COCC[NH2+]C1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000923389678 654448572 /nfs/dbraw/zinc/44/85/72/654448572.db2.gz VQZFUARWDBVBPY-AWEZNQCLSA-N 2 2 377.312 2.434 20 0 GEADLP Cn1ncc(I)c1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000894227487 654457612 /nfs/dbraw/zinc/45/76/12/654457612.db2.gz ZOGSMQUMIIERPH-UHFFFAOYSA-N 2 2 385.253 2.402 20 0 GEADLP CN1CC[NH+](CC2CC[NH+](Cc3ncc(Br)cc3O)CC2)CC1 ZINC000894457940 654477284 /nfs/dbraw/zinc/47/72/84/654477284.db2.gz JRCKVUYWXCIPEY-UHFFFAOYSA-N 2 2 383.334 2.009 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)C34CC[NH+](CC3)C4)[nH+]c12 ZINC000907356303 654535254 /nfs/dbraw/zinc/53/52/54/654535254.db2.gz YOIJYMDYKVDSOG-UHFFFAOYSA-N 2 2 377.286 2.160 20 0 GEADLP Brc1ccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c(N2CCOCC2)c1 ZINC000925617776 654547157 /nfs/dbraw/zinc/54/71/57/654547157.db2.gz SERYWTLZMBLSKS-WMRANVBESA-N 2 2 392.341 2.372 20 0 GEADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C2 ZINC001164814336 720137020 /nfs/dbraw/zinc/13/70/20/720137020.db2.gz RUBRXAYRTVUXFO-NFBKMPQASA-N 3 2 399.583 2.018 20 0 GEADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C2 ZINC001164814336 720137029 /nfs/dbraw/zinc/13/70/29/720137029.db2.gz RUBRXAYRTVUXFO-NFBKMPQASA-N 3 2 399.583 2.018 20 0 GEADLP Cc1nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)cc(C(C)C)[nH+]1 ZINC001164713485 720169025 /nfs/dbraw/zinc/16/90/25/720169025.db2.gz LDIPXXMUHVXELB-IBGZPJMESA-N 2 2 399.543 2.253 20 0 GEADLP C[NH+]1CCN(c2cccc(N3CCC[C@@]4(CCN(CC5CC5)C4=O)C3)[nH+]2)CC1 ZINC001164819918 720279455 /nfs/dbraw/zinc/27/94/55/720279455.db2.gz TVRDFJKAWNFXQX-JOCHJYFZSA-N 2 2 383.540 2.062 20 0 GEADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(N)cc(Cl)[nH+]2)CC1 ZINC001164825086 720311043 /nfs/dbraw/zinc/31/10/43/720311043.db2.gz SJGFCFMQAPQXEG-CVEARBPZSA-N 2 2 377.920 2.229 20 0 GEADLP COc1ccc2c(cc[nH+]c2N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164741752 720653713 /nfs/dbraw/zinc/65/37/13/720653713.db2.gz MFVJLLSRFNUOHD-FUHWJXTLSA-N 2 2 377.448 2.375 20 0 GEADLP COc1ccc2c(cc[nH+]c2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164741752 720653723 /nfs/dbraw/zinc/65/37/23/720653723.db2.gz MFVJLLSRFNUOHD-FUHWJXTLSA-N 2 2 377.448 2.375 20 0 GEADLP CCc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc(C)[nH+]1 ZINC001164746619 720848481 /nfs/dbraw/zinc/84/84/81/720848481.db2.gz PPVBGRRCBUNZKX-GBESFXJTSA-N 2 2 381.528 2.318 20 0 GEADLP CCc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc(C)[nH+]1 ZINC001164746619 720848483 /nfs/dbraw/zinc/84/84/83/720848483.db2.gz PPVBGRRCBUNZKX-GBESFXJTSA-N 2 2 381.528 2.318 20 0 GEADLP Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(C)c(C)[nH+]1 ZINC001164748149 720852913 /nfs/dbraw/zinc/85/29/13/720852913.db2.gz KPPWNQVBLJTSMZ-SLFFLAALSA-N 2 2 381.528 2.373 20 0 GEADLP Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(C)c(C)[nH+]1 ZINC001164748149 720852916 /nfs/dbraw/zinc/85/29/16/720852916.db2.gz KPPWNQVBLJTSMZ-SLFFLAALSA-N 2 2 381.528 2.373 20 0 GEADLP CCN(C)c1cc(C)[nH+]c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867929 721040924 /nfs/dbraw/zinc/04/09/24/721040924.db2.gz KZEKFYXGZGUYJB-RTBURBONSA-N 2 2 382.512 2.116 20 0 GEADLP CCN(C)c1cc(C)[nH+]c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867929 721040930 /nfs/dbraw/zinc/04/09/30/721040930.db2.gz KZEKFYXGZGUYJB-RTBURBONSA-N 2 2 382.512 2.116 20 0 GEADLP Cc1cc(N2CCCC2)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)[nH+]1 ZINC001164869222 721041148 /nfs/dbraw/zinc/04/11/48/721041148.db2.gz SIQBQMMCXIRMBE-WOJBJXKFSA-N 2 2 394.523 2.260 20 0 GEADLP Cc1cc(N2CCCC2)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)[nH+]1 ZINC001164869222 721041152 /nfs/dbraw/zinc/04/11/52/721041152.db2.gz SIQBQMMCXIRMBE-WOJBJXKFSA-N 2 2 394.523 2.260 20 0 GEADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164773865 721177400 /nfs/dbraw/zinc/17/74/00/721177400.db2.gz XMYCNOZKEVMICZ-UVEXCMSLSA-N 2 2 395.507 2.268 20 0 GEADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164773865 721177402 /nfs/dbraw/zinc/17/74/02/721177402.db2.gz XMYCNOZKEVMICZ-UVEXCMSLSA-N 2 2 395.507 2.268 20 0 GEADLP Cc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)cc(N(C)C)[nH+]1 ZINC001164803116 721531717 /nfs/dbraw/zinc/53/17/17/721531717.db2.gz IDTZKRDPYYLSAL-WFXMLNOXSA-N 2 2 382.512 2.114 20 0 GEADLP Cc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)cc(N(C)C)[nH+]1 ZINC001164803116 721531720 /nfs/dbraw/zinc/53/17/20/721531720.db2.gz IDTZKRDPYYLSAL-WFXMLNOXSA-N 2 2 382.512 2.114 20 0 GEADLP C[NH+]1CCN(c2cccc(N3CC[C@]4(C[C@@H](Oc5cccnc5)CO4)C3)[nH+]2)CC1 ZINC001164916931 721806497 /nfs/dbraw/zinc/80/64/97/721806497.db2.gz SLKWRKRAPCUOEM-KNQAVFIVSA-N 2 2 395.507 2.045 20 0 GEADLP Cc1c[nH+]c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1NC1CC1 ZINC001164975547 722098995 /nfs/dbraw/zinc/09/89/95/722098995.db2.gz CIOVBYRKHYEEKA-QUCCMNQESA-N 2 2 394.523 2.482 20 0 GEADLP Cc1c[nH+]c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1NC1CC1 ZINC001164975547 722098996 /nfs/dbraw/zinc/09/89/96/722098996.db2.gz CIOVBYRKHYEEKA-QUCCMNQESA-N 2 2 394.523 2.482 20 0 GEADLP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4nc(N5CCCC5)cc[nH+]4)CC[C@@H]3C2)c1 ZINC001164981382 722099074 /nfs/dbraw/zinc/09/90/74/722099074.db2.gz LFJQBKCDONXIPJ-WOJBJXKFSA-N 2 2 394.523 2.199 20 0 GEADLP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4nc(N5CCCC5)cc[nH+]4)CC[C@@H]3C2)c1 ZINC001164981382 722099075 /nfs/dbraw/zinc/09/90/75/722099075.db2.gz LFJQBKCDONXIPJ-WOJBJXKFSA-N 2 2 394.523 2.199 20 0 GEADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2cc(F)ccc2Br)CC1 ZINC000153823522 531610137 /nfs/dbraw/zinc/61/01/37/531610137.db2.gz NUSVNEDYHNLVEQ-UHFFFAOYSA-N 2 2 386.309 2.273 20 0 GEADLP Cc1cc(S(=O)(=O)NCC[NH2+]Cc2c[nH+]c3ccc(C)cn23)c(C)s1 ZINC000158412524 531777460 /nfs/dbraw/zinc/77/74/60/531777460.db2.gz OWTUVPRIXVRGLM-UHFFFAOYSA-N 2 2 378.523 2.389 20 0 GEADLP Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000122485817 532072090 /nfs/dbraw/zinc/07/20/90/532072090.db2.gz JWPXEVPPIOCFEQ-UHFFFAOYSA-N 2 2 397.361 2.265 20 0 GEADLP Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000122485817 532072094 /nfs/dbraw/zinc/07/20/94/532072094.db2.gz JWPXEVPPIOCFEQ-UHFFFAOYSA-N 2 2 397.361 2.265 20 0 GEADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000124446883 532121835 /nfs/dbraw/zinc/12/18/35/532121835.db2.gz QYGZACBCFSNLHR-KRWDZBQOSA-N 2 2 386.323 2.011 20 0 GEADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000124446883 532121841 /nfs/dbraw/zinc/12/18/41/532121841.db2.gz QYGZACBCFSNLHR-KRWDZBQOSA-N 2 2 386.323 2.011 20 0 GEADLP C[C@H](Oc1ccccc1Br)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177146139 532162199 /nfs/dbraw/zinc/16/21/99/532162199.db2.gz MIRGFDXSOYYBDJ-AWEZNQCLSA-N 2 2 398.345 2.359 20 0 GEADLP CCOc1c(Br)cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1OC ZINC000131476204 532198007 /nfs/dbraw/zinc/19/80/07/532198007.db2.gz DIONXLSYURMBEA-INIZCTEOSA-N 2 2 375.307 2.259 20 0 GEADLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1Br ZINC000181034621 532289114 /nfs/dbraw/zinc/28/91/14/532289114.db2.gz VVXSMFKIMZPZIM-LSDHHAIUSA-N 2 2 396.329 2.033 20 0 GEADLP COc1cc2[nH+]ccc(NC[C@@H](C)[NH+]3CCN(C)CC3)c2cc1Br ZINC000425219297 532375167 /nfs/dbraw/zinc/37/51/67/532375167.db2.gz BHUMYWFPKHDAAI-CYBMUJFWSA-N 2 2 393.329 2.476 20 0 GEADLP COc1cc2[nH+]ccc(NC[C@@H](C)N3CC[NH+](C)CC3)c2cc1Br ZINC000425219297 532375173 /nfs/dbraw/zinc/37/51/73/532375173.db2.gz BHUMYWFPKHDAAI-CYBMUJFWSA-N 2 2 393.329 2.476 20 0 GEADLP O=C(C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1)NCc1ccc(Cl)s1 ZINC000515483389 532366560 /nfs/dbraw/zinc/36/65/60/532366560.db2.gz CJXZTMONWZAEHZ-UHFFFAOYSA-N 2 2 379.917 2.155 20 0 GEADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCc3cc(F)cc(Br)c3C2)CC1 ZINC000626132657 532433833 /nfs/dbraw/zinc/43/38/33/532433833.db2.gz SLJBHZSWBGFDDN-UHFFFAOYSA-N 2 2 384.293 2.110 20 0 GEADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCc3cc(F)cc(Br)c3C2)CC1 ZINC000626132657 532433845 /nfs/dbraw/zinc/43/38/45/532433845.db2.gz SLJBHZSWBGFDDN-UHFFFAOYSA-N 2 2 384.293 2.110 20 0 GEADLP CC1=C(Br)CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000373782557 532469053 /nfs/dbraw/zinc/46/90/53/532469053.db2.gz LJVUTDAVDONENV-AWEZNQCLSA-N 2 2 385.350 2.239 20 0 GEADLP CC1=C(Br)CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000373782557 532469057 /nfs/dbraw/zinc/46/90/57/532469057.db2.gz LJVUTDAVDONENV-AWEZNQCLSA-N 2 2 385.350 2.239 20 0 GEADLP C[C@H](C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)[NH+]1CCSCC1 ZINC000429044029 532469237 /nfs/dbraw/zinc/46/92/37/532469237.db2.gz HEEKAFFRZOXKFC-AEFFLSMTSA-N 2 2 379.595 2.158 20 0 GEADLP C[C@H](C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)[NH+]1CCSCC1 ZINC000429044029 532469245 /nfs/dbraw/zinc/46/92/45/532469245.db2.gz HEEKAFFRZOXKFC-AEFFLSMTSA-N 2 2 379.595 2.158 20 0 GEADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000684372420 532479057 /nfs/dbraw/zinc/47/90/57/532479057.db2.gz OGVRKTIVXFGFHY-UHFFFAOYSA-N 2 2 394.235 2.332 20 0 GEADLP CN(C(=O)c1ncsc1C(F)(F)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000684280302 532475765 /nfs/dbraw/zinc/47/57/65/532475765.db2.gz HWVZDDQVXAHHOC-GFCCVEGCSA-N 2 2 376.448 2.402 20 0 GEADLP CN(C(=O)c1ncsc1C(F)(F)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000684280302 532475767 /nfs/dbraw/zinc/47/57/67/532475767.db2.gz HWVZDDQVXAHHOC-GFCCVEGCSA-N 2 2 376.448 2.402 20 0 GEADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430606369 532501696 /nfs/dbraw/zinc/50/16/96/532501696.db2.gz VGZJPBQZXMQXQY-VXGBXAGGSA-N 2 2 387.265 2.289 20 0 GEADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430606369 532501703 /nfs/dbraw/zinc/50/17/03/532501703.db2.gz VGZJPBQZXMQXQY-VXGBXAGGSA-N 2 2 387.265 2.289 20 0 GEADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccccc2Br)C[C@H](C)O1 ZINC000564864617 532536223 /nfs/dbraw/zinc/53/62/23/532536223.db2.gz PKRLYGJGEXMTQW-WVYJYSKYSA-N 2 2 383.330 2.365 20 0 GEADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccccc2Br)C[C@H](C)O1 ZINC000564864617 532536226 /nfs/dbraw/zinc/53/62/26/532536226.db2.gz PKRLYGJGEXMTQW-WVYJYSKYSA-N 2 2 383.330 2.365 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)C2)CC1 ZINC000375178764 532539953 /nfs/dbraw/zinc/53/99/53/532539953.db2.gz GUWDKKMORQCDOH-JLJPHGGASA-N 2 2 389.371 2.380 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)C2)CC1 ZINC000375178764 532539958 /nfs/dbraw/zinc/53/99/58/532539958.db2.gz GUWDKKMORQCDOH-JLJPHGGASA-N 2 2 389.371 2.380 20 0 GEADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1cc(Br)ccc1Br ZINC000653150089 532531667 /nfs/dbraw/zinc/53/16/67/532531667.db2.gz RAHIEZGPQTVUMA-LBPRGKRZSA-N 2 2 393.123 2.107 20 0 GEADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cc(F)c(Br)cc1F ZINC000527852621 532556903 /nfs/dbraw/zinc/55/69/03/532556903.db2.gz NZNLXFIMHJWWDB-SNVBAGLBSA-N 2 2 376.245 2.152 20 0 GEADLP C[C@H](C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)C[NH+]1CCOCC1 ZINC000565358961 532559329 /nfs/dbraw/zinc/55/93/29/532559329.db2.gz LSNCWBAUBSEBSD-KGLIPLIRSA-N 2 2 377.312 2.291 20 0 GEADLP OC[C@@H]1CCC[NH+]1Cc1cc(Br)ccc1C[N@H+]1CCC[C@H]1CO ZINC000249396053 532564949 /nfs/dbraw/zinc/56/49/49/532564949.db2.gz ZYYOKHXLNQVZNX-ROUUACIJSA-N 2 2 383.330 2.363 20 0 GEADLP OC[C@@H]1CCC[NH+]1Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H]1CO ZINC000249396053 532564953 /nfs/dbraw/zinc/56/49/53/532564953.db2.gz ZYYOKHXLNQVZNX-ROUUACIJSA-N 2 2 383.330 2.363 20 0 GEADLP OC[C@@H]1CCC[NH+]1Cc1ccc(Br)cc1C[N@@H+]1CCC[C@H]1CO ZINC000249396053 532564957 /nfs/dbraw/zinc/56/49/57/532564957.db2.gz ZYYOKHXLNQVZNX-ROUUACIJSA-N 2 2 383.330 2.363 20 0 GEADLP OC[C@@H]1CCC[NH+]1Cc1ccc(Br)cc1C[N@H+]1CCC[C@H]1CO ZINC000249396053 532564960 /nfs/dbraw/zinc/56/49/60/532564960.db2.gz ZYYOKHXLNQVZNX-ROUUACIJSA-N 2 2 383.330 2.363 20 0 GEADLP COc1sc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1Br ZINC000262072715 532584552 /nfs/dbraw/zinc/58/45/52/532584552.db2.gz SEVIFGZUSZWOQM-LLVKDONJSA-N 2 2 390.347 2.339 20 0 GEADLP COc1sc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1Br ZINC000262072715 532584554 /nfs/dbraw/zinc/58/45/54/532584554.db2.gz SEVIFGZUSZWOQM-LLVKDONJSA-N 2 2 390.347 2.339 20 0 GEADLP Cn1cc([C@@H]2C[N@H+](CCC(=O)Nc3cc(Cl)ccc3Cl)C[C@H]2[NH3+])cn1 ZINC000566096519 532592494 /nfs/dbraw/zinc/59/24/94/532592494.db2.gz XENUABGMWJWRLW-DZGCQCFKSA-N 2 2 382.295 2.482 20 0 GEADLP Cn1cc([C@@H]2C[N@@H+](CCC(=O)Nc3cc(Cl)ccc3Cl)C[C@H]2[NH3+])cn1 ZINC000566096519 532592501 /nfs/dbraw/zinc/59/25/01/532592501.db2.gz XENUABGMWJWRLW-DZGCQCFKSA-N 2 2 382.295 2.482 20 0 GEADLP COc1cc(Br)ccc1C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000261964202 532579848 /nfs/dbraw/zinc/57/98/48/532579848.db2.gz HOTKCDZIVBLHQD-HNNXBMFYSA-N 2 2 384.318 2.277 20 0 GEADLP COc1cc(Br)ccc1C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000261964202 532579856 /nfs/dbraw/zinc/57/98/56/532579856.db2.gz HOTKCDZIVBLHQD-HNNXBMFYSA-N 2 2 384.318 2.277 20 0 GEADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435625232 532622855 /nfs/dbraw/zinc/62/28/55/532622855.db2.gz ZWRUVGSRJJEVQB-INIZCTEOSA-N 2 2 398.345 2.360 20 0 GEADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435625232 532622864 /nfs/dbraw/zinc/62/28/64/532622864.db2.gz ZWRUVGSRJJEVQB-INIZCTEOSA-N 2 2 398.345 2.360 20 0 GEADLP O=C1[C@H]([NH+]2CCN([C@H]3CC[NH2+]C3)CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000567889234 532669557 /nfs/dbraw/zinc/66/95/57/532669557.db2.gz DLXFRZDJYMBHJB-WMLDXEAASA-N 2 2 383.323 2.078 20 0 GEADLP CCSc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(Br)c1 ZINC000600707610 532680342 /nfs/dbraw/zinc/68/03/42/532680342.db2.gz CNFCAIBBSVNQPI-DOMZBBRYSA-N 2 2 384.343 2.305 20 0 GEADLP CCSc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(Br)c1 ZINC000600707610 532680346 /nfs/dbraw/zinc/68/03/46/532680346.db2.gz CNFCAIBBSVNQPI-DOMZBBRYSA-N 2 2 384.343 2.305 20 0 GEADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000638788648 532686976 /nfs/dbraw/zinc/68/69/76/532686976.db2.gz OBPORXUDQQHOBZ-CYBMUJFWSA-N 2 2 380.539 2.106 20 0 GEADLP O=C1[C@@H]([NH+]2CCN(c3[nH]cc[nH+]3)CC2)CCN1c1cccc(Br)c1 ZINC000575326132 532720471 /nfs/dbraw/zinc/72/04/71/532720471.db2.gz AFTHLAYYNJUQOD-HNNXBMFYSA-N 2 2 390.285 2.100 20 0 GEADLP C[C@](O)(CNc1cc[nH+]c2c(Br)cccc12)C[NH+]1CCOCC1 ZINC000301769641 532759035 /nfs/dbraw/zinc/75/90/35/532759035.db2.gz OVBPFTSKDNGGBS-KRWDZBQOSA-N 2 2 380.286 2.492 20 0 GEADLP CNC(=O)C[NH+]1CCC(Nc2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000443518192 532748146 /nfs/dbraw/zinc/74/81/46/532748146.db2.gz LCQDJHDMOKSTHZ-UHFFFAOYSA-N 2 2 395.276 2.181 20 0 GEADLP CS(=O)(=O)N1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000269018078 532775456 /nfs/dbraw/zinc/77/54/56/532775456.db2.gz PDOLVGWMRAUWHY-SFHVURJKSA-N 2 2 385.961 2.318 20 0 GEADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)C[NH+]1CCOCC1 ZINC000268993194 532774490 /nfs/dbraw/zinc/77/44/90/532774490.db2.gz HKBQNRXIXCKGNN-KBPBESRZSA-N 2 2 376.469 2.302 20 0 GEADLP CS(=O)(=O)c1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)s1 ZINC000414428039 532826519 /nfs/dbraw/zinc/82/65/19/532826519.db2.gz JVNNANRWOJWISO-UHFFFAOYSA-N 2 2 386.583 2.476 20 0 GEADLP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCO[C@@H](c3cccc(Br)c3)C2)C1 ZINC000414751600 532834884 /nfs/dbraw/zinc/83/48/84/532834884.db2.gz SSTHNFFPUPDNGB-RHSMWYFYSA-N 2 2 396.329 2.020 20 0 GEADLP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCO[C@@H](c3cccc(Br)c3)C2)C1 ZINC000414751600 532834886 /nfs/dbraw/zinc/83/48/86/532834886.db2.gz SSTHNFFPUPDNGB-RHSMWYFYSA-N 2 2 396.329 2.020 20 0 GEADLP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000331916449 532846646 /nfs/dbraw/zinc/84/66/46/532846646.db2.gz NQFIALVDUKEJER-CYBMUJFWSA-N 2 2 392.301 2.332 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3C[C@@H](C)[NH2+]C[C@H]3C)[nH+]c12 ZINC000332256047 532850746 /nfs/dbraw/zinc/85/07/46/532850746.db2.gz CRXPYMLUHQMEKT-VXGBXAGGSA-N 2 2 380.290 2.297 20 0 GEADLP [NH3+][C@H]1CCC[C@@H](NC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000333276790 532866478 /nfs/dbraw/zinc/86/64/78/532866478.db2.gz GXYHIQNVZHSZFS-NWDGAFQWSA-N 2 2 398.305 2.072 20 0 GEADLP O=S(=O)(c1cccs1)N1CCC[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000289936939 532868387 /nfs/dbraw/zinc/86/83/87/532868387.db2.gz AXIRITUDZQGSOI-CQSZACIVSA-N 2 2 376.507 2.339 20 0 GEADLP CN(C)c1cc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)[nH+]cc1Br ZINC000333667322 532871657 /nfs/dbraw/zinc/87/16/57/532871657.db2.gz NCFUNBVVCMRYFO-FZMZJTMJSA-N 2 2 382.306 2.468 20 0 GEADLP CN(C)c1cc(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)[nH+]cc1Br ZINC000333667322 532871660 /nfs/dbraw/zinc/87/16/60/532871660.db2.gz NCFUNBVVCMRYFO-FZMZJTMJSA-N 2 2 382.306 2.468 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)[nH+]c12 ZINC000333855135 532874264 /nfs/dbraw/zinc/87/42/64/532874264.db2.gz YCCAOILMTBKNLG-GLQYFDAESA-N 2 2 392.301 2.284 20 0 GEADLP [NH3+]CC(F)(F)CNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000417584630 532880162 /nfs/dbraw/zinc/88/01/62/532880162.db2.gz NFFVJTYBIVYWDK-ZDUSSCGKSA-N 2 2 378.826 2.337 20 0 GEADLP [NH3+]CC(F)(F)CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000417584630 532880165 /nfs/dbraw/zinc/88/01/65/532880165.db2.gz NFFVJTYBIVYWDK-ZDUSSCGKSA-N 2 2 378.826 2.337 20 0 GEADLP Brc1cccc(N2CC[C@H]([NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)c1 ZINC000423086600 532893660 /nfs/dbraw/zinc/89/36/60/532893660.db2.gz MHFAUFQXZVJSGW-SZMVWBNQSA-N 2 2 380.330 2.384 20 0 GEADLP Brc1cccc(N2CC[C@H]([NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)c1 ZINC000423086594 532893683 /nfs/dbraw/zinc/89/36/83/532893683.db2.gz MHFAUFQXZVJSGW-CGTJXYLNSA-N 2 2 380.330 2.384 20 0 GEADLP C[C@H](c1ncc(Br)cn1)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367846868 532928164 /nfs/dbraw/zinc/92/81/64/532928164.db2.gz GODCYUIHRSJLON-CJNGLKHVSA-N 2 2 382.350 2.400 20 0 GEADLP C[C@H](c1ncc(Br)cn1)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367846868 532928165 /nfs/dbraw/zinc/92/81/65/532928165.db2.gz GODCYUIHRSJLON-CJNGLKHVSA-N 2 2 382.350 2.400 20 0 GEADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000369267957 532937926 /nfs/dbraw/zinc/93/79/26/532937926.db2.gz FSPKSBLOWGFNCK-UHFFFAOYSA-N 2 2 387.293 2.247 20 0 GEADLP CC[NH+](CC)CC1CC[NH+]([C@H](C(=O)OC)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736535170 598862106 /nfs/dbraw/zinc/86/21/06/598862106.db2.gz UJOCHYPICPLQJK-SFHVURJKSA-N 2 2 386.500 2.135 20 0 GEADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737501357 598356675 /nfs/dbraw/zinc/35/66/75/598356675.db2.gz UYMXJVVMBRMIOV-QGZVFWFLSA-N 2 2 380.456 2.037 20 0 GEADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737501357 598356676 /nfs/dbraw/zinc/35/66/76/598356676.db2.gz UYMXJVVMBRMIOV-QGZVFWFLSA-N 2 2 380.456 2.037 20 0 GEADLP C[N@H+](CCO)C1CC[NH+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000736801355 598366804 /nfs/dbraw/zinc/36/68/04/598366804.db2.gz IKVKRAVRGQQZMU-UHFFFAOYSA-N 2 2 392.507 2.422 20 0 GEADLP C[N@@H+](CCO)C1CC[NH+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000736801355 598366805 /nfs/dbraw/zinc/36/68/05/598366805.db2.gz IKVKRAVRGQQZMU-UHFFFAOYSA-N 2 2 392.507 2.422 20 0 GEADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000826331172 607563161 /nfs/dbraw/zinc/56/31/61/607563161.db2.gz XTLOAUQULJGCRS-UHFFFAOYSA-N 2 2 384.463 2.113 20 0 GEADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826330673 607563174 /nfs/dbraw/zinc/56/31/74/607563174.db2.gz CTXGZCUCQVADGK-UHFFFAOYSA-N 2 2 394.527 2.360 20 0 GEADLP Cc1[nH+]ccn1CCCC[N@H+]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826330673 607563176 /nfs/dbraw/zinc/56/31/76/607563176.db2.gz CTXGZCUCQVADGK-UHFFFAOYSA-N 2 2 394.527 2.360 20 0 GEADLP C[C@@H]1C[N@@H+](CCCCNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C[C@H](C)O1 ZINC000820761281 607173621 /nfs/dbraw/zinc/17/36/21/607173621.db2.gz WUIGWTPOZSMZGN-GASCZTMLSA-N 2 2 381.484 2.138 20 0 GEADLP C[C@@H]1C[N@H+](CCCCNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C[C@H](C)O1 ZINC000820761281 607173622 /nfs/dbraw/zinc/17/36/22/607173622.db2.gz WUIGWTPOZSMZGN-GASCZTMLSA-N 2 2 381.484 2.138 20 0 GEADLP Cc1nn(-c2ccccc2)c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1-c1nn[nH]n1 ZINC000826332088 608314939 /nfs/dbraw/zinc/31/49/39/608314939.db2.gz JQRMHXJGKBFKOB-PBHICJAKSA-N 2 2 380.500 2.275 20 0 GEADLP Cc1nn(-c2ccccc2)c(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1-c1nn[nH]n1 ZINC000826332088 608314940 /nfs/dbraw/zinc/31/49/40/608314940.db2.gz JQRMHXJGKBFKOB-PBHICJAKSA-N 2 2 380.500 2.275 20 0 GEADLP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)nc[nH+]1 ZINC000826090991 609341399 /nfs/dbraw/zinc/34/13/99/609341399.db2.gz UGEOKWHKNOKTET-JSGCOSHPSA-N 2 2 397.462 2.157 20 0 GEADLP Cc1cc(C)c(-c2nn[nH]n2)c(N2CCC(CCC[NH+]3CCOCC3)CC2)[nH+]1 ZINC000826262003 609558255 /nfs/dbraw/zinc/55/82/55/609558255.db2.gz BDDMJGIJUFNMBA-UHFFFAOYSA-N 2 2 385.516 2.207 20 0 GEADLP Cc1ccnc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1-c1nn[nH]n1 ZINC000826309402 609572148 /nfs/dbraw/zinc/57/21/48/609572148.db2.gz NXGRQXJLJVWSHB-UHFFFAOYSA-N 2 2 398.559 2.203 20 0 GEADLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2ccc(I)cc2)CC1 ZINC000449125407 650032266 /nfs/dbraw/zinc/03/22/66/650032266.db2.gz SEVDAOBEOIYYMZ-MRXNPFEDSA-N 2 2 388.293 2.474 20 0 GEADLP COCC[NH+]1CCC([NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000459758483 650432282 /nfs/dbraw/zinc/43/22/82/650432282.db2.gz IDIGSEQITOYXBR-SJORKVTESA-N 2 2 384.318 2.375 20 0 GEADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000514857146 650581339 /nfs/dbraw/zinc/58/13/39/650581339.db2.gz AMQVDEDEHYZSPV-SFHVURJKSA-N 2 2 398.345 2.192 20 0 GEADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000487755279 650737777 /nfs/dbraw/zinc/73/77/77/650737777.db2.gz TUEPCPUBZTXFIW-ZFWWWQNUSA-N 2 2 395.301 2.465 20 0 GEADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000487755279 650737781 /nfs/dbraw/zinc/73/77/81/650737781.db2.gz TUEPCPUBZTXFIW-ZFWWWQNUSA-N 2 2 395.301 2.465 20 0 GEADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(=O)n4cc(Br)ccc4n3)CC[C@@H]21 ZINC000532649688 650751731 /nfs/dbraw/zinc/75/17/31/650751731.db2.gz CCBKBFDDFUJFND-BBRMVZONSA-N 2 2 391.313 2.373 20 0 GEADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(=O)n4cc(Br)ccc4n3)CC[C@@H]21 ZINC000532649688 650751733 /nfs/dbraw/zinc/75/17/33/650751733.db2.gz CCBKBFDDFUJFND-BBRMVZONSA-N 2 2 391.313 2.373 20 0 GEADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(=O)n4cc(Br)ccc4n3)CC[C@@H]21 ZINC000532649688 650751735 /nfs/dbraw/zinc/75/17/35/650751735.db2.gz CCBKBFDDFUJFND-BBRMVZONSA-N 2 2 391.313 2.373 20 0 GEADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(=O)n4cc(Br)ccc4n3)CC[C@@H]21 ZINC000532649688 650751736 /nfs/dbraw/zinc/75/17/36/650751736.db2.gz CCBKBFDDFUJFND-BBRMVZONSA-N 2 2 391.313 2.373 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)COc1cccc(Br)c1 ZINC000498776804 650865172 /nfs/dbraw/zinc/86/51/72/650865172.db2.gz JEHTWIZSUFVNKV-UHFFFAOYSA-N 2 2 398.345 2.312 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)COc1cccc(Br)c1 ZINC000498776804 650865173 /nfs/dbraw/zinc/86/51/73/650865173.db2.gz JEHTWIZSUFVNKV-UHFFFAOYSA-N 2 2 398.345 2.312 20 0 GEADLP CSC[C@H]1CCC[NH+]1CCS(=O)(=O)CC[N@H+]1CCC[C@@H]1CSC ZINC000135460977 643914620 /nfs/dbraw/zinc/91/46/20/643914620.db2.gz UHFMSGBKOXYUQL-HZPDHXFCSA-N 2 2 380.645 2.056 20 0 GEADLP CSC[C@H]1CCC[NH+]1CCS(=O)(=O)CC[N@@H+]1CCC[C@@H]1CSC ZINC000135460977 643914628 /nfs/dbraw/zinc/91/46/28/643914628.db2.gz UHFMSGBKOXYUQL-HZPDHXFCSA-N 2 2 380.645 2.056 20 0 GEADLP C[C@H]1CC[N@H+](CC(=O)Nc2cccc(I)c2)C[C@@H]1C[NH3+] ZINC000163895863 644258497 /nfs/dbraw/zinc/25/84/97/644258497.db2.gz DFGQWGJWUDYZTB-RYUDHWBXSA-N 2 2 387.265 2.146 20 0 GEADLP C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(I)c2)C[C@@H]1C[NH3+] ZINC000163895863 644258500 /nfs/dbraw/zinc/25/85/00/644258500.db2.gz DFGQWGJWUDYZTB-RYUDHWBXSA-N 2 2 387.265 2.146 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)NCC[N@@H+](C)C3CC3)[nH+]c12 ZINC000544681027 650949810 /nfs/dbraw/zinc/94/98/10/650949810.db2.gz PAXATZCMNJHWJS-UHFFFAOYSA-N 2 2 394.317 2.341 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)NCC[N@H+](C)C3CC3)[nH+]c12 ZINC000544681027 650949814 /nfs/dbraw/zinc/94/98/14/650949814.db2.gz PAXATZCMNJHWJS-UHFFFAOYSA-N 2 2 394.317 2.341 20 0 GEADLP C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261621404 645590758 /nfs/dbraw/zinc/59/07/58/645590758.db2.gz DKUACRXQOVZMMS-ABAIWWIYSA-N 2 2 387.265 2.289 20 0 GEADLP C[C@H](C(=O)Nc1cccc(I)c1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261621404 645590763 /nfs/dbraw/zinc/59/07/63/645590763.db2.gz DKUACRXQOVZMMS-ABAIWWIYSA-N 2 2 387.265 2.289 20 0 GEADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000264658161 645699250 /nfs/dbraw/zinc/69/92/50/645699250.db2.gz YDIDGBCUQXCQJV-INIZCTEOSA-N 2 2 394.313 2.154 20 0 GEADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000264658161 645699253 /nfs/dbraw/zinc/69/92/53/645699253.db2.gz YDIDGBCUQXCQJV-INIZCTEOSA-N 2 2 394.313 2.154 20 0 GEADLP C[C@@]1(O)CC[NH+](Cc2cc(Br)ccc2C[N@H+]2CC[C@](C)(O)C2)C1 ZINC000277504543 646432770 /nfs/dbraw/zinc/43/27/70/646432770.db2.gz OEFHCFQWVNQKMT-ZWKOTPCHSA-N 2 2 383.330 2.363 20 0 GEADLP C[C@@]1(O)CC[NH+](Cc2cc(Br)ccc2C[N@@H+]2CC[C@](C)(O)C2)C1 ZINC000277504543 646432771 /nfs/dbraw/zinc/43/27/71/646432771.db2.gz OEFHCFQWVNQKMT-ZWKOTPCHSA-N 2 2 383.330 2.363 20 0 GEADLP C[C@@]1(O)CC[N@@H+](Cc2cc(Br)ccc2C[NH+]2CC[C@](C)(O)C2)C1 ZINC000277504543 646432773 /nfs/dbraw/zinc/43/27/73/646432773.db2.gz OEFHCFQWVNQKMT-ZWKOTPCHSA-N 2 2 383.330 2.363 20 0 GEADLP C[C@@]1(O)CC[N@H+](Cc2cc(Br)ccc2C[NH+]2CC[C@](C)(O)C2)C1 ZINC000277504543 646432775 /nfs/dbraw/zinc/43/27/75/646432775.db2.gz OEFHCFQWVNQKMT-ZWKOTPCHSA-N 2 2 383.330 2.363 20 0 GEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280756380 646713285 /nfs/dbraw/zinc/71/32/85/646713285.db2.gz QGTUPERQPVBDLX-GHMZBOCLSA-N 2 2 387.303 2.032 20 0 GEADLP C[NH+]1CCN(c2ncc(C[NH2+]Cc3ccsc3Br)cn2)CC1 ZINC000282260096 646820919 /nfs/dbraw/zinc/82/09/19/646820919.db2.gz NORDJXAJFICLJW-UHFFFAOYSA-N 2 2 382.331 2.342 20 0 GEADLP CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000294699374 647223283 /nfs/dbraw/zinc/22/32/83/647223283.db2.gz GMMIJLXWUTZTOR-ZDUSSCGKSA-N 2 2 395.301 2.339 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H](O)c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000367051891 647716658 /nfs/dbraw/zinc/71/66/58/647716658.db2.gz FQRRWOCJSZCTTF-RDJZCZTQSA-N 2 2 386.323 2.312 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H](O)c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000367051891 647716661 /nfs/dbraw/zinc/71/66/61/647716661.db2.gz FQRRWOCJSZCTTF-RDJZCZTQSA-N 2 2 386.323 2.312 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)NCC3([NH3+])CCC3)[nH+]c12 ZINC000417994966 648268255 /nfs/dbraw/zinc/26/82/55/648268255.db2.gz AODKGNOOMWVQCY-UHFFFAOYSA-N 2 2 380.290 2.128 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)NCCC[NH2+]C3CC3)[nH+]c12 ZINC000418020833 648271263 /nfs/dbraw/zinc/27/12/63/648271263.db2.gz OCEUZFNDBDZRBK-UHFFFAOYSA-N 2 2 394.317 2.389 20 0 GEADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)Nc1ccccc1I ZINC000420365134 648414795 /nfs/dbraw/zinc/41/47/95/648414795.db2.gz KVGYMUBGQLVPLD-ZDUSSCGKSA-N 2 2 387.265 2.207 20 0 GEADLP Brc1ccccc1N1CC[C@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000422703486 648573622 /nfs/dbraw/zinc/57/36/22/648573622.db2.gz HVIKXEICFGAKSF-WBAXXEDZSA-N 2 2 380.330 2.384 20 0 GEADLP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1c(Br)cncc1Br ZINC000423155074 648584987 /nfs/dbraw/zinc/58/49/87/648584987.db2.gz ISZKUZWWZLCIEE-PLMOITTCSA-N 2 2 393.123 2.449 20 0 GEADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000423153503 648585114 /nfs/dbraw/zinc/58/51/14/648585114.db2.gz HLSUVNQWUUQHEU-SNPRPXQTSA-N 2 2 389.309 2.096 20 0 GEADLP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423163990 648585519 /nfs/dbraw/zinc/58/55/19/648585519.db2.gz RZMPBJZCTNAOBL-GDIGMMSISA-N 2 2 397.357 2.265 20 0 GEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430726482 648766446 /nfs/dbraw/zinc/76/64/46/648766446.db2.gz WGVZJNMWAXAYQA-MDZLAQPJSA-N 2 2 390.347 2.230 20 0 GEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430726482 648766452 /nfs/dbraw/zinc/76/64/52/648766452.db2.gz WGVZJNMWAXAYQA-MDZLAQPJSA-N 2 2 390.347 2.230 20 0 GEADLP Brc1ccc(-c2noc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)s1 ZINC000643072483 651477360 /nfs/dbraw/zinc/47/73/60/651477360.db2.gz YXKKYWIGEGKPSY-NSHDSACASA-N 2 2 398.330 2.040 20 0 GEADLP Brc1ccc(-c2noc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)s1 ZINC000643072483 651477366 /nfs/dbraw/zinc/47/73/66/651477366.db2.gz YXKKYWIGEGKPSY-NSHDSACASA-N 2 2 398.330 2.040 20 0 GEADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000566232065 651605822 /nfs/dbraw/zinc/60/58/22/651605822.db2.gz YIKCWNSOVAVCPU-KBPBESRZSA-N 2 2 377.312 2.170 20 0 GEADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000566232065 651605824 /nfs/dbraw/zinc/60/58/24/651605824.db2.gz YIKCWNSOVAVCPU-KBPBESRZSA-N 2 2 377.312 2.170 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ncsc1Br ZINC000568430450 651668775 /nfs/dbraw/zinc/66/87/75/651668775.db2.gz KYSZXXTXIXPEDI-UHFFFAOYSA-N 2 2 375.336 2.004 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ncsc1Br ZINC000568430450 651668786 /nfs/dbraw/zinc/66/87/86/651668786.db2.gz KYSZXXTXIXPEDI-UHFFFAOYSA-N 2 2 375.336 2.004 20 0 GEADLP NC(=O)[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349646 651916289 /nfs/dbraw/zinc/91/62/89/651916289.db2.gz WSRMZMVZOIOQNA-LLLHUVSDSA-N 2 2 396.329 2.194 20 0 GEADLP NC(=O)[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349646 651916298 /nfs/dbraw/zinc/91/62/98/651916298.db2.gz WSRMZMVZOIOQNA-LLLHUVSDSA-N 2 2 396.329 2.194 20 0 GEADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(I)cc2)CC12CCOCC2 ZINC000580431981 652380870 /nfs/dbraw/zinc/38/08/70/652380870.db2.gz GCRGFXCHNJCCOL-AWEZNQCLSA-N 2 2 386.277 2.479 20 0 GEADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(I)cc2)CC12CCOCC2 ZINC000580431981 652380873 /nfs/dbraw/zinc/38/08/73/652380873.db2.gz GCRGFXCHNJCCOL-AWEZNQCLSA-N 2 2 386.277 2.479 20 0 GEADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc(=O)n3cc(Br)ccc3n1)C2 ZINC000660654647 652409022 /nfs/dbraw/zinc/40/90/22/652409022.db2.gz AZBKQSXSBPVPRE-GOSISDBHSA-N 2 2 391.313 2.375 20 0 GEADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc(=O)n3cc(Br)ccc3n1)C2 ZINC000660654647 652409024 /nfs/dbraw/zinc/40/90/24/652409024.db2.gz AZBKQSXSBPVPRE-GOSISDBHSA-N 2 2 391.313 2.375 20 0 GEADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cc(=O)n3cc(Br)ccc3n1)C2 ZINC000660654647 652409027 /nfs/dbraw/zinc/40/90/27/652409027.db2.gz AZBKQSXSBPVPRE-GOSISDBHSA-N 2 2 391.313 2.375 20 0 GEADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cc(=O)n3cc(Br)ccc3n1)C2 ZINC000660654647 652409031 /nfs/dbraw/zinc/40/90/31/652409031.db2.gz AZBKQSXSBPVPRE-GOSISDBHSA-N 2 2 391.313 2.375 20 0 GEADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000582183790 652439425 /nfs/dbraw/zinc/43/94/25/652439425.db2.gz ADWGYLODGVPMIF-CQSZACIVSA-N 2 2 388.343 2.000 20 0 GEADLP O=C(C[NH2+][C@H](CO)c1cccc(Cl)c1Cl)NC1CC[NH+](C2CC2)CC1 ZINC000662057264 652446632 /nfs/dbraw/zinc/44/66/32/652446632.db2.gz XGLYVMPMVADQBK-MRXNPFEDSA-N 2 2 386.323 2.359 20 0 GEADLP CC[N@H+](C)C[C@H]1CC[NH+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000755749882 652475370 /nfs/dbraw/zinc/47/53/70/652475370.db2.gz KXCYFKAWYARZAR-CYBMUJFWSA-N 2 2 379.302 2.390 20 0 GEADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000755749882 652475376 /nfs/dbraw/zinc/47/53/76/652475376.db2.gz KXCYFKAWYARZAR-CYBMUJFWSA-N 2 2 379.302 2.390 20 0 GEADLP CC[NH+](C)C[C@H]1CC[N@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000755749882 652475381 /nfs/dbraw/zinc/47/53/81/652475381.db2.gz KXCYFKAWYARZAR-CYBMUJFWSA-N 2 2 379.302 2.390 20 0 GEADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000755749882 652475387 /nfs/dbraw/zinc/47/53/87/652475387.db2.gz KXCYFKAWYARZAR-CYBMUJFWSA-N 2 2 379.302 2.390 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccc(Br)s1 ZINC000663692114 652508690 /nfs/dbraw/zinc/50/86/90/652508690.db2.gz CPYWOXSRLVHUSQ-UHFFFAOYSA-N 2 2 377.352 2.193 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccc(Br)s1 ZINC000663692114 652508693 /nfs/dbraw/zinc/50/86/93/652508693.db2.gz CPYWOXSRLVHUSQ-UHFFFAOYSA-N 2 2 377.352 2.193 20 0 GEADLP Cc1cc(Br)ccc1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664066510 652519484 /nfs/dbraw/zinc/51/94/84/652519484.db2.gz BMIQOMZXFULXMW-UHFFFAOYSA-N 2 2 385.350 2.440 20 0 GEADLP Cc1cc(Br)ccc1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664066510 652519487 /nfs/dbraw/zinc/51/94/87/652519487.db2.gz BMIQOMZXFULXMW-UHFFFAOYSA-N 2 2 385.350 2.440 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCc1ccc(Br)cc1 ZINC000664152211 652521499 /nfs/dbraw/zinc/52/14/99/652521499.db2.gz CNYRMCIERXBXTC-UHFFFAOYSA-N 2 2 385.350 2.174 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCc1ccc(Br)cc1 ZINC000664152211 652521502 /nfs/dbraw/zinc/52/15/02/652521502.db2.gz CNYRMCIERXBXTC-UHFFFAOYSA-N 2 2 385.350 2.174 20 0 GEADLP C[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1nc(C(F)(F)F)cs1 ZINC000664776050 652538528 /nfs/dbraw/zinc/53/85/28/652538528.db2.gz XCUSZKSJSXQARF-LLVKDONJSA-N 2 2 381.468 2.406 20 0 GEADLP C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1nc(C(F)(F)F)cs1 ZINC000664776050 652538531 /nfs/dbraw/zinc/53/85/31/652538531.db2.gz XCUSZKSJSXQARF-LLVKDONJSA-N 2 2 381.468 2.406 20 0 GEADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H]2CCCOc3cc(Br)ccc32)n1 ZINC000665292064 652550613 /nfs/dbraw/zinc/55/06/13/652550613.db2.gz RSQQSVMIRBUYRG-ZDUSSCGKSA-N 2 2 379.258 2.407 20 0 GEADLP NS(=O)(=O)c1ccc(C[NH2+]CCCNc2cccc[nH+]2)cc1Br ZINC000666284576 652570918 /nfs/dbraw/zinc/57/09/18/652570918.db2.gz ZTFCNUNILWGGIY-UHFFFAOYSA-N 2 2 399.314 2.083 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)NC[C@H]3CCCC[NH2+]3)[nH+]c12 ZINC000669559032 652705427 /nfs/dbraw/zinc/70/54/27/652705427.db2.gz VZFJBKLNQWHLIL-CQSZACIVSA-N 2 2 394.317 2.389 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000607056303 652786982 /nfs/dbraw/zinc/78/69/82/652786982.db2.gz GXRCGKGRNHQJPW-UHFFFAOYSA-N 2 2 380.440 2.047 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000607056303 652786987 /nfs/dbraw/zinc/78/69/87/652786987.db2.gz GXRCGKGRNHQJPW-UHFFFAOYSA-N 2 2 380.440 2.047 20 0 GEADLP NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000638521263 652892309 /nfs/dbraw/zinc/89/23/09/652892309.db2.gz DAAUEHHIKAEGIW-MRXNPFEDSA-N 2 2 379.551 2.050 20 0 GEADLP NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000638521263 652892312 /nfs/dbraw/zinc/89/23/12/652892312.db2.gz DAAUEHHIKAEGIW-MRXNPFEDSA-N 2 2 379.551 2.050 20 0 GEADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000639764603 652952640 /nfs/dbraw/zinc/95/26/40/652952640.db2.gz HLWVBEQAPDQVDL-YOEHRIQHSA-N 2 2 377.312 2.122 20 0 GEADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000639764603 652952644 /nfs/dbraw/zinc/95/26/44/652952644.db2.gz HLWVBEQAPDQVDL-YOEHRIQHSA-N 2 2 377.312 2.122 20 0 GEADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(I)s2)CC1 ZINC000602430651 653179965 /nfs/dbraw/zinc/17/99/65/653179965.db2.gz LCJZMOLHXNOLOO-UHFFFAOYSA-N 2 2 380.295 2.241 20 0 GEADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(I)s2)CC1 ZINC000602430651 653179975 /nfs/dbraw/zinc/17/99/75/653179975.db2.gz LCJZMOLHXNOLOO-UHFFFAOYSA-N 2 2 380.295 2.241 20 0 GEADLP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(I)s2)CC1 ZINC000602610131 653194389 /nfs/dbraw/zinc/19/43/89/653194389.db2.gz GEEWUYCTPQEKLS-UHFFFAOYSA-N 2 2 380.295 2.289 20 0 GEADLP Brc1sccc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786144 653233996 /nfs/dbraw/zinc/23/39/96/653233996.db2.gz ONDKEHMFXFMNGB-OAHLLOKOSA-N 2 2 388.375 2.397 20 0 GEADLP Cc1cc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)ncc1Br ZINC000641788727 653234002 /nfs/dbraw/zinc/23/40/02/653234002.db2.gz ZVOPFSOSSPQVIO-MRXNPFEDSA-N 2 2 397.361 2.039 20 0 GEADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000684551880 653275157 /nfs/dbraw/zinc/27/51/57/653275157.db2.gz CMQLWVIVKBSSPF-QGZVFWFLSA-N 2 2 384.293 2.403 20 0 GEADLP CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000809786199 653295774 /nfs/dbraw/zinc/29/57/74/653295774.db2.gz SWAMCESLLVXDSB-CQSZACIVSA-N 2 2 388.603 2.087 20 0 GEADLP CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000809786199 653295783 /nfs/dbraw/zinc/29/57/83/653295783.db2.gz SWAMCESLLVXDSB-CQSZACIVSA-N 2 2 388.603 2.087 20 0 GEADLP Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000858244884 653356621 /nfs/dbraw/zinc/35/66/21/653356621.db2.gz JVQTXRNEMRQGAB-HUUCEWRRSA-N 2 2 388.965 2.026 20 0 GEADLP Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000858244884 653356624 /nfs/dbraw/zinc/35/66/24/653356624.db2.gz JVQTXRNEMRQGAB-HUUCEWRRSA-N 2 2 388.965 2.026 20 0 GEADLP CN(C(=O)c1cc(Br)cnc1F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000859333321 653443213 /nfs/dbraw/zinc/44/32/13/653443213.db2.gz LICVVACJCCXASA-AWEZNQCLSA-N 2 2 399.308 2.224 20 0 GEADLP CN(C(=O)c1cc(Br)cnc1F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000859333321 653443220 /nfs/dbraw/zinc/44/32/20/653443220.db2.gz LICVVACJCCXASA-AWEZNQCLSA-N 2 2 399.308 2.224 20 0 GEADLP Cn1nc(Br)cc1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000785413011 653708876 /nfs/dbraw/zinc/70/88/76/653708876.db2.gz MYOMOECKAUINRO-UHFFFAOYSA-N 2 2 379.302 2.305 20 0 GEADLP Cn1nc(Br)cc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000785425917 653709175 /nfs/dbraw/zinc/70/91/75/653709175.db2.gz IKXOUUSNOHCCNC-UHFFFAOYSA-N 2 2 379.302 2.305 20 0 GEADLP O=S(=O)(c1cc(F)ccc1Cl)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562836 654256468 /nfs/dbraw/zinc/25/64/68/654256468.db2.gz WGMDRTCRLJRWIV-GASCZTMLSA-N 2 2 387.908 2.068 20 0 GEADLP O=S(=O)(c1cc(F)ccc1Cl)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562836 654256473 /nfs/dbraw/zinc/25/64/73/654256473.db2.gz WGMDRTCRLJRWIV-GASCZTMLSA-N 2 2 387.908 2.068 20 0 GEADLP Cc1sc(C)c(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1C ZINC000903562986 654256712 /nfs/dbraw/zinc/25/67/12/654256712.db2.gz ZUCDPMFKQFPLHX-CALCHBBNSA-N 2 2 383.583 2.263 20 0 GEADLP Cc1sc(C)c(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1C ZINC000903562986 654256717 /nfs/dbraw/zinc/25/67/17/654256717.db2.gz ZUCDPMFKQFPLHX-CALCHBBNSA-N 2 2 383.583 2.263 20 0 GEADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000872217666 654317392 /nfs/dbraw/zinc/31/73/92/654317392.db2.gz CHLUFFYUQIXAQL-HNNXBMFYSA-N 2 2 384.318 2.213 20 0 GEADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000872217666 654317394 /nfs/dbraw/zinc/31/73/94/654317394.db2.gz CHLUFFYUQIXAQL-HNNXBMFYSA-N 2 2 384.318 2.213 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CC[N@H+](C)[C@@H]3C)[nH+]c12 ZINC000921938801 654345390 /nfs/dbraw/zinc/34/53/90/654345390.db2.gz JTIKKXXUWQTXHP-DOMZBBRYSA-N 2 2 394.317 2.340 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CC[N@@H+](C)[C@@H]3C)[nH+]c12 ZINC000921938801 654345395 /nfs/dbraw/zinc/34/53/95/654345395.db2.gz JTIKKXXUWQTXHP-DOMZBBRYSA-N 2 2 394.317 2.340 20 0 GEADLP CC[C@H](c1ccc(Br)cc1)N1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923324318 654444095 /nfs/dbraw/zinc/44/40/95/654444095.db2.gz STZJHGATLOFUTR-MHORFTMASA-N 2 2 382.346 2.368 20 0 GEADLP Cn1nc(Br)nc1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000894342961 654467144 /nfs/dbraw/zinc/46/71/44/654467144.db2.gz RPATUXBOLZKFAN-UHFFFAOYSA-N 2 2 394.321 2.115 20 0 GEADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2sc(N3CCOCC3)nc2Cl)CCCO1 ZINC000894567562 654487066 /nfs/dbraw/zinc/48/70/66/654487066.db2.gz UXLBLKHUTMCJCV-CQSZACIVSA-N 2 2 388.965 2.224 20 0 GEADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2sc(N3CCOCC3)nc2Cl)CCCO1 ZINC000894567562 654487070 /nfs/dbraw/zinc/48/70/70/654487070.db2.gz UXLBLKHUTMCJCV-CQSZACIVSA-N 2 2 388.965 2.224 20 0 GEADLP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1)[NH+]1CC[C@@H](C(F)(F)F)C1 ZINC000930120910 654699818 /nfs/dbraw/zinc/69/98/18/654699818.db2.gz KZSOCOUVNFTOEJ-IJLUTSLNSA-N 2 2 375.357 2.260 20 0 GEADLP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C1)[NH+]1CC[C@@H](C(F)(F)F)C1 ZINC000930120910 654699819 /nfs/dbraw/zinc/69/98/19/654699819.db2.gz KZSOCOUVNFTOEJ-IJLUTSLNSA-N 2 2 375.357 2.260 20 0 GEADLP C[C@H](CNC(=O)C[NH+]1CC[C@@H](C(F)(F)F)C1)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000930120910 654699820 /nfs/dbraw/zinc/69/98/20/654699820.db2.gz KZSOCOUVNFTOEJ-IJLUTSLNSA-N 2 2 375.357 2.260 20 0 GEADLP C[C@H](CNC(=O)C[NH+]1CC[C@@H](C(F)(F)F)C1)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000930120910 654699821 /nfs/dbraw/zinc/69/98/21/654699821.db2.gz KZSOCOUVNFTOEJ-IJLUTSLNSA-N 2 2 375.357 2.260 20 0 GEADLP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)Nc3ccc(I)cc3)C[C@@H]2C1 ZINC000931433967 654742375 /nfs/dbraw/zinc/74/23/75/654742375.db2.gz LJPWVESLBQDZHF-OLZOCXBDSA-N 2 2 399.276 2.113 20 0 GEADLP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)Nc3ccc(I)cc3)C[C@@H]2C1 ZINC000931433967 654742378 /nfs/dbraw/zinc/74/23/78/654742378.db2.gz LJPWVESLBQDZHF-OLZOCXBDSA-N 2 2 399.276 2.113 20 0 GEADLP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)Nc3ccc(I)cc3)C[C@@H]2C1 ZINC000931433967 654742383 /nfs/dbraw/zinc/74/23/83/654742383.db2.gz LJPWVESLBQDZHF-OLZOCXBDSA-N 2 2 399.276 2.113 20 0 GEADLP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(I)cc3)C[C@@H]2C1 ZINC000931433967 654742388 /nfs/dbraw/zinc/74/23/88/654742388.db2.gz LJPWVESLBQDZHF-OLZOCXBDSA-N 2 2 399.276 2.113 20 0 GEADLP C[NH+](C)CC1(O)CC[NH+](CC[S@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000931485539 654743528 /nfs/dbraw/zinc/74/35/28/654743528.db2.gz MHVHOBTUDCWJNR-QHCPKHFHSA-N 2 2 379.353 2.490 20 0 GEADLP CO[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc(Br)s1 ZINC000912387340 654752037 /nfs/dbraw/zinc/75/20/37/654752037.db2.gz OPHAIRXFUWIXEF-AWEZNQCLSA-N 2 2 392.363 2.198 20 0 GEADLP CO[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc(Br)s1 ZINC000912387340 654752038 /nfs/dbraw/zinc/75/20/38/654752038.db2.gz OPHAIRXFUWIXEF-AWEZNQCLSA-N 2 2 392.363 2.198 20 0 GEADLP Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cc(C4C[NH2+]C4)ncn2)CC3)cc1 ZINC001164679216 719533092 /nfs/dbraw/zinc/53/30/92/719533092.db2.gz VVMUZHYZHFFEJS-UHFFFAOYSA-N 2 2 397.498 2.174 20 0 GEADLP Fc1ccc(C[N@H+]2CCOCC23CCN(c2cc(C4C[NH2+]C4)ncn2)CC3)cc1 ZINC001164679216 719533100 /nfs/dbraw/zinc/53/31/00/719533100.db2.gz VVMUZHYZHFFEJS-UHFFFAOYSA-N 2 2 397.498 2.174 20 0 GEADLP Cc1cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc(C2CC2)[nH+]1 ZINC001164717147 720199653 /nfs/dbraw/zinc/19/96/53/720199653.db2.gz SPLHJKBVYVTJGU-SFHVURJKSA-N 2 2 397.527 2.007 20 0 GEADLP Cc1nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c2c([nH+]1)CCC2 ZINC001164812918 720233147 /nfs/dbraw/zinc/23/31/47/720233147.db2.gz KJVWLMMCHCHYSR-UHFFFAOYSA-N 2 2 382.512 2.081 20 0 GEADLP Cc1nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c2c([nH+]1)CCC2 ZINC001164812918 720233152 /nfs/dbraw/zinc/23/31/52/720233152.db2.gz KJVWLMMCHCHYSR-UHFFFAOYSA-N 2 2 382.512 2.081 20 0 GEADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164830801 720334189 /nfs/dbraw/zinc/33/41/89/720334189.db2.gz PZQHEJLHFNMKNP-MOPGFXCFSA-N 2 2 399.539 2.260 20 0 GEADLP CCOC(=O)c1c(C)cc(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@H]3C2)[nH+]c1C ZINC001164857454 720861893 /nfs/dbraw/zinc/86/18/93/720861893.db2.gz QWIHLCPIYJZJAE-MSOLQXFVSA-N 2 2 391.512 2.049 20 0 GEADLP CCOC(=O)c1c(C)cc(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@H]3C2)[nH+]c1C ZINC001164857454 720861895 /nfs/dbraw/zinc/86/18/95/720861895.db2.gz QWIHLCPIYJZJAE-MSOLQXFVSA-N 2 2 391.512 2.049 20 0 GEADLP Cc1cc(N2CCCC2)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)[nH+]1 ZINC001164869218 721040636 /nfs/dbraw/zinc/04/06/36/721040636.db2.gz SIQBQMMCXIRMBE-PMACEKPBSA-N 2 2 394.523 2.260 20 0 GEADLP Cc1cc(N2CCCC2)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)[nH+]1 ZINC001164869218 721040640 /nfs/dbraw/zinc/04/06/40/721040640.db2.gz SIQBQMMCXIRMBE-PMACEKPBSA-N 2 2 394.523 2.260 20 0 GEADLP c1cncc(CO[C@H]2C[C@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164872254 721138015 /nfs/dbraw/zinc/13/80/15/721138015.db2.gz HFNAFRIWVPOBPG-PMACEKPBSA-N 2 2 394.523 2.342 20 0 GEADLP c1cncc(CO[C@H]2C[C@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[N@H+]3C2)c1 ZINC001164872254 721138021 /nfs/dbraw/zinc/13/80/21/721138021.db2.gz HFNAFRIWVPOBPG-PMACEKPBSA-N 2 2 394.523 2.342 20 0 GEADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@H]3CC(=O)N4c3ccsc3)[nH+]2)CC1 ZINC001164881292 721356913 /nfs/dbraw/zinc/35/69/13/721356913.db2.gz AZSYDDLEVGNPJB-IAGOWNOFSA-N 2 2 383.521 2.279 20 0 GEADLP Cc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)cc(N(C)C)[nH+]1 ZINC001164803113 721531960 /nfs/dbraw/zinc/53/19/60/721531960.db2.gz IDTZKRDPYYLSAL-LQWHRVPQSA-N 2 2 382.512 2.114 20 0 GEADLP Cc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)cc(N(C)C)[nH+]1 ZINC001164803113 721531965 /nfs/dbraw/zinc/53/19/65/721531965.db2.gz IDTZKRDPYYLSAL-LQWHRVPQSA-N 2 2 382.512 2.114 20 0 GEADLP CCN(C)c1cc[nH+]c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164985163 722098796 /nfs/dbraw/zinc/09/87/96/722098796.db2.gz VDRQQTNRDGOIEK-RBUKOAKNSA-N 2 2 382.512 2.055 20 0 GEADLP CCN(C)c1cc[nH+]c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164985163 722098797 /nfs/dbraw/zinc/09/87/97/722098797.db2.gz VDRQQTNRDGOIEK-RBUKOAKNSA-N 2 2 382.512 2.055 20 0 GEADLP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4nc(NC5CC5)cc[nH+]4)CC[C@@H]3C2)c1 ZINC001164976319 722098867 /nfs/dbraw/zinc/09/88/67/722098867.db2.gz COBVKBUECOULTJ-MJGOQNOKSA-N 2 2 380.496 2.173 20 0 GEADLP c1cncc(C[N@H+]2CCO[C@H]3CN(c4nc(NC5CC5)cc[nH+]4)CC[C@@H]3C2)c1 ZINC001164976319 722098869 /nfs/dbraw/zinc/09/88/69/722098869.db2.gz COBVKBUECOULTJ-MJGOQNOKSA-N 2 2 380.496 2.173 20 0 GEADLP C[N@H+](CC(=O)Nc1ccccc1I)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746837 531661116 /nfs/dbraw/zinc/66/11/16/531661116.db2.gz MVDFNRZIKKHIEI-FUNVUKJBSA-N 2 2 399.276 2.445 20 0 GEADLP C[N@@H+](CC(=O)Nc1ccccc1I)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746837 531661124 /nfs/dbraw/zinc/66/11/24/531661124.db2.gz MVDFNRZIKKHIEI-FUNVUKJBSA-N 2 2 399.276 2.445 20 0 GEADLP C[C@H]([NH2+]Cc1cscn1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000127412798 532153967 /nfs/dbraw/zinc/15/39/67/532153967.db2.gz LOUPNWWYMYNEKV-AWEZNQCLSA-N 2 2 382.555 2.224 20 0 GEADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000127888934 532157797 /nfs/dbraw/zinc/15/77/97/532157797.db2.gz DUVFVQJUINBOHK-KRWDZBQOSA-N 2 2 381.318 2.345 20 0 GEADLP COc1ccc(Br)cc1[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000180462259 532272113 /nfs/dbraw/zinc/27/21/13/532272113.db2.gz AESKBCZCFXGSRV-MRXNPFEDSA-N 2 2 396.329 2.369 20 0 GEADLP COc1ccc(Br)cc1[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000180462259 532272118 /nfs/dbraw/zinc/27/21/18/532272118.db2.gz AESKBCZCFXGSRV-MRXNPFEDSA-N 2 2 396.329 2.369 20 0 GEADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCS(=O)(=O)c3cccc(Br)c3)C[C@H]21 ZINC000647907750 532384360 /nfs/dbraw/zinc/38/43/60/532384360.db2.gz OSKUGJOLZLFCBC-DAXOMENPSA-N 2 2 387.343 2.282 20 0 GEADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCS(=O)(=O)c3cccc(Br)c3)C[C@H]21 ZINC000647907750 532384367 /nfs/dbraw/zinc/38/43/67/532384367.db2.gz OSKUGJOLZLFCBC-DAXOMENPSA-N 2 2 387.343 2.282 20 0 GEADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000558102094 532385873 /nfs/dbraw/zinc/38/58/73/532385873.db2.gz ZINHZTVFULUVHS-MLGOLLRUSA-N 2 2 386.309 2.449 20 0 GEADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000558102094 532385878 /nfs/dbraw/zinc/38/58/78/532385878.db2.gz ZINHZTVFULUVHS-MLGOLLRUSA-N 2 2 386.309 2.449 20 0 GEADLP [NH3+]C[C@H]1C[N@H+](Cc2cc3c(cc2Br)OCCO3)CC12CCOCC2 ZINC000516970796 532400195 /nfs/dbraw/zinc/40/01/95/532400195.db2.gz BKWZRLDVCYNYNO-AWEZNQCLSA-N 2 2 397.313 2.408 20 0 GEADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc3c(cc2Br)OCCO3)CC12CCOCC2 ZINC000516970796 532400202 /nfs/dbraw/zinc/40/02/02/532400202.db2.gz BKWZRLDVCYNYNO-AWEZNQCLSA-N 2 2 397.313 2.408 20 0 GEADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc2c(cc1Br)OCCO2 ZINC000678755412 532401162 /nfs/dbraw/zinc/40/11/62/532401162.db2.gz DCVDXMFUAKXFOH-OLZOCXBDSA-N 2 2 385.302 2.328 20 0 GEADLP NS(=O)(=O)c1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000517435002 532416476 /nfs/dbraw/zinc/41/64/76/532416476.db2.gz GMJXFLDIEGRESH-UHFFFAOYSA-N 2 2 380.901 2.141 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3csc(C(F)(F)F)n3)CC2)CC1 ZINC000193016535 532417156 /nfs/dbraw/zinc/41/71/56/532417156.db2.gz DDLJLLJIVFUSEI-UHFFFAOYSA-N 2 2 376.448 2.450 20 0 GEADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000281610911 532426366 /nfs/dbraw/zinc/42/63/66/532426366.db2.gz BEKJAIVBVFVCCA-UHFFFAOYSA-N 2 2 384.311 2.397 20 0 GEADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428039638 532441292 /nfs/dbraw/zinc/44/12/92/532441292.db2.gz SNDWKPBOHKJWOG-FRFSOERESA-N 2 2 380.330 2.480 20 0 GEADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428039638 532441296 /nfs/dbraw/zinc/44/12/96/532441296.db2.gz SNDWKPBOHKJWOG-FRFSOERESA-N 2 2 380.330 2.480 20 0 GEADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ncc(Br)s2)CC1 ZINC000683406343 532458215 /nfs/dbraw/zinc/45/82/15/532458215.db2.gz WBSVSIVNHBYMMR-UHFFFAOYSA-N 2 2 382.287 2.305 20 0 GEADLP CN(C(=O)c1ncc(Br)s1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683408160 532458832 /nfs/dbraw/zinc/45/88/32/532458832.db2.gz LGFGULWILWHYTM-GFCCVEGCSA-N 2 2 387.347 2.146 20 0 GEADLP CN(C(=O)c1ncc(Br)s1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683408160 532458837 /nfs/dbraw/zinc/45/88/37/532458837.db2.gz LGFGULWILWHYTM-GFCCVEGCSA-N 2 2 387.347 2.146 20 0 GEADLP CN(C(=O)c1nscc1Br)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000651315255 532465992 /nfs/dbraw/zinc/46/59/92/532465992.db2.gz SFXNADVVXFAGOJ-LBPRGKRZSA-N 2 2 387.347 2.146 20 0 GEADLP CN(C(=O)c1nscc1Br)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000651315255 532465999 /nfs/dbraw/zinc/46/59/99/532465999.db2.gz SFXNADVVXFAGOJ-LBPRGKRZSA-N 2 2 387.347 2.146 20 0 GEADLP Cc1cc(Br)cn2cc(CC[NH2+]C[C@@H]3CNc4ccnn4C3)[nH+]c12 ZINC000684200689 532470795 /nfs/dbraw/zinc/47/07/95/532470795.db2.gz LDBFMWLDHMAPPL-CYBMUJFWSA-N 2 2 389.301 2.476 20 0 GEADLP COCC[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000562811276 532484720 /nfs/dbraw/zinc/48/47/20/532484720.db2.gz HRQPKIBHYWZLSW-CZUORRHYSA-N 2 2 389.327 2.355 20 0 GEADLP COCC[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000562811276 532484724 /nfs/dbraw/zinc/48/47/24/532484724.db2.gz HRQPKIBHYWZLSW-CZUORRHYSA-N 2 2 389.327 2.355 20 0 GEADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)n1 ZINC000629654531 532499704 /nfs/dbraw/zinc/49/97/04/532499704.db2.gz YPLOMZZZZXBGSU-UHFFFAOYSA-N 2 2 389.200 2.295 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430584762 532501126 /nfs/dbraw/zinc/50/11/26/532501126.db2.gz ZSCRCQZLUBTNTC-HNNXBMFYSA-N 2 2 387.265 2.255 20 0 GEADLP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430631886 532501529 /nfs/dbraw/zinc/50/15/29/532501529.db2.gz VZLDQQPBMWERFS-VXGBXAGGSA-N 2 2 387.311 2.107 20 0 GEADLP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430631886 532501534 /nfs/dbraw/zinc/50/15/34/532501534.db2.gz VZLDQQPBMWERFS-VXGBXAGGSA-N 2 2 387.311 2.107 20 0 GEADLP COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653083908 532530564 /nfs/dbraw/zinc/53/05/64/532530564.db2.gz OFCAEWGFOXXVOS-CABCVRRESA-N 2 2 384.318 2.400 20 0 GEADLP C[NH+](C)CC[C@@H](N)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000653119848 532532254 /nfs/dbraw/zinc/53/22/54/532532254.db2.gz YQJSJFGMHMBWAT-QGZVFWFLSA-N 2 2 387.355 2.353 20 0 GEADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000653119848 532532263 /nfs/dbraw/zinc/53/22/63/532532263.db2.gz YQJSJFGMHMBWAT-QGZVFWFLSA-N 3 2 387.355 2.353 20 0 GEADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cc(F)c(Br)cc1F ZINC000527852620 532557616 /nfs/dbraw/zinc/55/76/16/532557616.db2.gz NZNLXFIMHJWWDB-JTQLQIEISA-N 2 2 376.245 2.152 20 0 GEADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000375832182 532582914 /nfs/dbraw/zinc/58/29/14/532582914.db2.gz WLJWTFZDZAQQOX-KEYYUXOJSA-N 2 2 395.349 2.440 20 0 GEADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000375832182 532582920 /nfs/dbraw/zinc/58/29/20/532582920.db2.gz WLJWTFZDZAQQOX-KEYYUXOJSA-N 2 2 395.349 2.440 20 0 GEADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261681565 532576406 /nfs/dbraw/zinc/57/64/06/532576406.db2.gz GXAFQLCIJJPJKZ-KRWDZBQOSA-N 2 2 377.286 2.400 20 0 GEADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccsc3Br)CC2)CC1 ZINC000529567936 532608088 /nfs/dbraw/zinc/60/80/88/532608088.db2.gz XTCLQDXLPRNGAU-UHFFFAOYSA-N 2 2 386.359 2.497 20 0 GEADLP CCOc1cc(C[NH2+]CCC[NH+]2CCC(O)CC2)cc(Br)c1O ZINC000298437806 532649207 /nfs/dbraw/zinc/64/92/07/532649207.db2.gz NIFUHKZOMDECMU-UHFFFAOYSA-N 2 2 387.318 2.490 20 0 GEADLP O=C1[C@@H]([NH+]2CCN([C@H]3CC[NH2+]C3)CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000567889235 532669666 /nfs/dbraw/zinc/66/96/66/532669666.db2.gz DLXFRZDJYMBHJB-YOEHRIQHSA-N 2 2 383.323 2.078 20 0 GEADLP Cc1cc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1Br ZINC000665109942 532693246 /nfs/dbraw/zinc/69/32/46/532693246.db2.gz SGNVIBDVZOLEJA-UHFFFAOYSA-N 2 2 385.350 2.440 20 0 GEADLP Cc1cc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1Br ZINC000665109942 532693254 /nfs/dbraw/zinc/69/32/54/532693254.db2.gz SGNVIBDVZOLEJA-UHFFFAOYSA-N 2 2 385.350 2.440 20 0 GEADLP C[NH+](C)CC(=O)N1CCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000301317904 532748082 /nfs/dbraw/zinc/74/80/82/532748082.db2.gz OYQLSCBWZPPEGP-UHFFFAOYSA-N 2 2 377.286 2.208 20 0 GEADLP CCNC(=O)C[NH+]1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000301097750 532740208 /nfs/dbraw/zinc/74/02/08/532740208.db2.gz GXUYIEXWAHXOHM-UHFFFAOYSA-N 2 2 377.286 2.255 20 0 GEADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000675781815 532740468 /nfs/dbraw/zinc/74/04/68/532740468.db2.gz CCOPQPHQZBWGAU-HNNXBMFYSA-N 2 2 382.302 2.026 20 0 GEADLP C[C@@](O)(CNc1cc[nH+]c2cc(Br)ccc12)C[NH+]1CCOCC1 ZINC000301768000 532759395 /nfs/dbraw/zinc/75/93/95/532759395.db2.gz OFQDOUIUPUBCFP-QGZVFWFLSA-N 2 2 380.286 2.492 20 0 GEADLP CN(CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)S(=O)(=O)c1cccs1 ZINC000541380035 532752137 /nfs/dbraw/zinc/75/21/37/532752137.db2.gz JBXVIZJEORJESH-UHFFFAOYSA-N 2 2 382.536 2.406 20 0 GEADLP COc1ccc(C[NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)c(Br)c1 ZINC000286507356 532752113 /nfs/dbraw/zinc/75/21/13/532752113.db2.gz MRPZEBDGCBHWDS-UHFFFAOYSA-N 2 2 384.318 2.100 20 0 GEADLP CS(=O)(=O)N1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000271525540 532807832 /nfs/dbraw/zinc/80/78/32/532807832.db2.gz PZGCOPWYSGEAIG-INIZCTEOSA-N 2 2 385.961 2.176 20 0 GEADLP CS(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)s1 ZINC000414265635 532821132 /nfs/dbraw/zinc/82/11/32/532821132.db2.gz RFWHFMRYXOBMHG-UHFFFAOYSA-N 2 2 380.535 2.274 20 0 GEADLP COc1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc(I)c1OC ZINC000414893579 532835735 /nfs/dbraw/zinc/83/57/35/532835735.db2.gz RPZCGVFPCZVYIX-GFCCVEGCSA-N 2 2 376.238 2.135 20 0 GEADLP COc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc(I)c1OC ZINC000414928665 532835929 /nfs/dbraw/zinc/83/59/29/532835929.db2.gz NDPFPIQFZAOBLB-GXFFZTMASA-N 2 2 390.265 2.396 20 0 GEADLP CCOc1c(Br)cc(Br)cc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000415054710 532837121 /nfs/dbraw/zinc/83/71/21/532837121.db2.gz MBPOWLVJIFRNMP-NSHDSACASA-N 2 2 396.123 2.362 20 0 GEADLP CCOc1c(Br)cc(Br)cc1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000415054710 532837124 /nfs/dbraw/zinc/83/71/24/532837124.db2.gz MBPOWLVJIFRNMP-NSHDSACASA-N 2 2 396.123 2.362 20 0 GEADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(C(=O)N(C)C)[nH]2)[C@@H]1c1cnn(C)c1 ZINC000328633414 212086797 /nfs/dbraw/zinc/08/67/97/212086797.db2.gz LYQDGNASMPFNBS-OXJNMPFZSA-N 2 2 386.544 2.355 20 0 GEADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(C(=O)N(C)C)[nH]2)[C@@H]1c1cnn(C)c1 ZINC000328633414 212086800 /nfs/dbraw/zinc/08/68/00/212086800.db2.gz LYQDGNASMPFNBS-OXJNMPFZSA-N 2 2 386.544 2.355 20 0 GEADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(C(=O)N(C)C)[nH]2)[C@@H]1c1cnn(C)c1 ZINC000328633414 212086802 /nfs/dbraw/zinc/08/68/02/212086802.db2.gz LYQDGNASMPFNBS-OXJNMPFZSA-N 2 2 386.544 2.355 20 0 GEADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(C(=O)N(C)C)[nH]2)[C@@H]1c1cnn(C)c1 ZINC000328633414 212086794 /nfs/dbraw/zinc/08/67/94/212086794.db2.gz LYQDGNASMPFNBS-OXJNMPFZSA-N 2 2 386.544 2.355 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[N@@H+]4CCC[C@H]4C3)[nH+]c12 ZINC000274242789 532846191 /nfs/dbraw/zinc/84/61/91/532846191.db2.gz RMWTWFDYNNXMHU-HNNXBMFYSA-N 2 2 392.301 2.395 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[N@H+]4CCC[C@H]4C3)[nH+]c12 ZINC000274242789 532846192 /nfs/dbraw/zinc/84/61/92/532846192.db2.gz RMWTWFDYNNXMHU-HNNXBMFYSA-N 2 2 392.301 2.395 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)[nH+]c12 ZINC000332281890 532851545 /nfs/dbraw/zinc/85/15/45/532851545.db2.gz IFDLFAZXAKAOSA-FZMZJTMJSA-N 2 2 380.290 2.284 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)[nH+]c12 ZINC000332281896 532851410 /nfs/dbraw/zinc/85/14/10/532851410.db2.gz IFDLFAZXAKAOSA-SMDDNHRTSA-N 2 2 380.290 2.284 20 0 GEADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cn4ccc(Br)cc4n3)C2)CC1 ZINC000290565338 532884062 /nfs/dbraw/zinc/88/40/62/532884062.db2.gz XYNDRCXVYKAKCQ-QGZVFWFLSA-N 2 2 392.345 2.309 20 0 GEADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cn4ccc(Br)cc4n3)C2)CC1 ZINC000290565338 532884065 /nfs/dbraw/zinc/88/40/65/532884065.db2.gz XYNDRCXVYKAKCQ-QGZVFWFLSA-N 2 2 392.345 2.309 20 0 GEADLP O=S(=O)(NCC[NH2+]C1CC[NH+](Cc2cccs2)CC1)c1cccs1 ZINC000362294617 532895606 /nfs/dbraw/zinc/89/56/06/532895606.db2.gz UTNYSLQIBIJMIK-UHFFFAOYSA-N 2 2 385.580 2.342 20 0 GEADLP CCC[NH+]1CCN(C2CC[NH+](Cc3c(Br)c(C)nn3C)CC2)CC1 ZINC000365963532 532913272 /nfs/dbraw/zinc/91/32/72/532913272.db2.gz FPOSNFXMMFSHKK-UHFFFAOYSA-N 2 2 398.393 2.483 20 0 GEADLP C[N@@H+]1CCC[C@H](N2CCN(Cc3c[nH+]c4ccc(Br)cn34)CC2)C1 ZINC000367472930 532925356 /nfs/dbraw/zinc/92/53/56/532925356.db2.gz YZAOTIFBGUEPJK-INIZCTEOSA-N 2 2 392.345 2.309 20 0 GEADLP C[N@H+]1CCC[C@H](N2CCN(Cc3c[nH+]c4ccc(Br)cn34)CC2)C1 ZINC000367472930 532925358 /nfs/dbraw/zinc/92/53/58/532925358.db2.gz YZAOTIFBGUEPJK-INIZCTEOSA-N 2 2 392.345 2.309 20 0 GEADLP COc1cc(Br)ccc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369275845 532937919 /nfs/dbraw/zinc/93/79/19/532937919.db2.gz ZESAQXFLJKYRCQ-AWEZNQCLSA-N 2 2 396.329 2.356 20 0 GEADLP COc1cc(Br)ccc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369275845 532937920 /nfs/dbraw/zinc/93/79/20/532937920.db2.gz ZESAQXFLJKYRCQ-AWEZNQCLSA-N 2 2 396.329 2.356 20 0 GEADLP FC(F)SCc1ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)o1 ZINC000371664014 532949186 /nfs/dbraw/zinc/94/91/86/532949186.db2.gz OJAZFTQQGOAUBP-AWEZNQCLSA-N 2 2 375.485 2.232 20 0 GEADLP FC(F)Oc1ccc2[nH+]cc(-c3nn[nH]n3)c(N3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000737639318 598674252 /nfs/dbraw/zinc/67/42/52/598674252.db2.gz QYDYGPMGHHJEMD-LLVKDONJSA-N 2 2 387.394 2.301 20 0 GEADLP FC(F)Oc1ccc2[nH+]cc(-c3nn[nH]n3)c(N3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000737639318 598674253 /nfs/dbraw/zinc/67/42/53/598674253.db2.gz QYDYGPMGHHJEMD-LLVKDONJSA-N 2 2 387.394 2.301 20 0 GEADLP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)o3)cc2)C[C@H](C)O1 ZINC000820759363 599398930 /nfs/dbraw/zinc/39/89/30/599398930.db2.gz JVZRKGDODFGWDH-GJZGRUSLSA-N 2 2 382.468 2.359 20 0 GEADLP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(-c4nn[nH]n4)o3)CC2)cs1 ZINC000821508754 599436168 /nfs/dbraw/zinc/43/61/68/599436168.db2.gz AKGSNSDSSKCSEZ-UHFFFAOYSA-N 2 2 387.513 2.480 20 0 GEADLP C[C@@H]1C[C@@H](Nc2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)CC[N@@H+]1C ZINC000820666268 599589874 /nfs/dbraw/zinc/58/98/74/599589874.db2.gz HLTFPNSVJUMTSU-MNOVXSKESA-N 2 2 389.410 2.333 20 0 GEADLP C[C@@H]1C[C@@H](Nc2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)CC[N@H+]1C ZINC000820666268 599589875 /nfs/dbraw/zinc/58/98/75/599589875.db2.gz HLTFPNSVJUMTSU-MNOVXSKESA-N 2 2 389.410 2.333 20 0 GEADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[NH+](C[C@@H]4CCOC4)CC3)c2c1 ZINC000822194947 606101182 /nfs/dbraw/zinc/10/11/82/606101182.db2.gz BDNDYJZOFCNBDX-INIZCTEOSA-N 2 2 393.495 2.190 20 0 GEADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)cs2)c2ccccc2)CC1 ZINC000821627360 606217109 /nfs/dbraw/zinc/21/71/09/606217109.db2.gz YGTPEOHWOQYGSX-GOSISDBHSA-N 2 2 383.525 2.007 20 0 GEADLP CC[NH+](CC)CC1CC[NH+]([C@@H](C(=O)OC)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821188921 606318109 /nfs/dbraw/zinc/31/81/09/606318109.db2.gz GJNPLWSEBTYRSE-GOSISDBHSA-N 2 2 386.500 2.135 20 0 GEADLP CC[N@@H+]1C[C@@H](C)[C@H](Nc2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000821241282 606731468 /nfs/dbraw/zinc/73/14/68/606731468.db2.gz LMPZQCUCGPRKIN-MEBBXXQBSA-N 2 2 389.410 2.190 20 0 GEADLP CC[N@H+]1C[C@@H](C)[C@H](Nc2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000821241282 606731470 /nfs/dbraw/zinc/73/14/70/606731470.db2.gz LMPZQCUCGPRKIN-MEBBXXQBSA-N 2 2 389.410 2.190 20 0 GEADLP C[N@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000821594918 606926746 /nfs/dbraw/zinc/92/67/46/606926746.db2.gz GMZNTQSZCMPIOH-NRFANRHFSA-N 2 2 392.507 2.497 20 0 GEADLP C[N@@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000821594918 606926747 /nfs/dbraw/zinc/92/67/47/606926747.db2.gz GMZNTQSZCMPIOH-NRFANRHFSA-N 2 2 392.507 2.497 20 0 GEADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824991914 608281328 /nfs/dbraw/zinc/28/13/28/608281328.db2.gz IEQWHDFGEMMGMA-JXFKEZNVSA-N 2 2 393.495 2.141 20 0 GEADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824991914 608281330 /nfs/dbraw/zinc/28/13/30/608281330.db2.gz IEQWHDFGEMMGMA-JXFKEZNVSA-N 2 2 393.495 2.141 20 0 GEADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824991547 608284199 /nfs/dbraw/zinc/28/41/99/608284199.db2.gz CEHFJIUUPZELJD-KUHUBIRLSA-N 2 2 381.459 2.401 20 0 GEADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824991547 608284201 /nfs/dbraw/zinc/28/42/01/608284201.db2.gz CEHFJIUUPZELJD-KUHUBIRLSA-N 2 2 381.459 2.401 20 0 GEADLP CCC[C@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC[N@@H+]1CCOC ZINC000825261323 608303701 /nfs/dbraw/zinc/30/37/01/608303701.db2.gz WTPRANIBGUFHQV-HNNXBMFYSA-N 2 2 381.484 2.352 20 0 GEADLP CCC[C@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC[N@H+]1CCOC ZINC000825261323 608303702 /nfs/dbraw/zinc/30/37/02/608303702.db2.gz WTPRANIBGUFHQV-HNNXBMFYSA-N 2 2 381.484 2.352 20 0 GEADLP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824616913 609325154 /nfs/dbraw/zinc/32/51/54/609325154.db2.gz AZZAPSCQKWGWAB-AWEZNQCLSA-N 2 2 396.474 2.003 20 0 GEADLP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)C(C)(C)C ZINC000825860801 609407799 /nfs/dbraw/zinc/40/77/99/609407799.db2.gz XEAVKULCUDJVCE-QZTJIDSGSA-N 2 2 399.543 2.318 20 0 GEADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(F)c(I)c1 ZINC000453193412 650206599 /nfs/dbraw/zinc/20/65/99/650206599.db2.gz HTVSYFVCEFWCAU-YGRLFVJLSA-N 2 2 378.229 2.148 20 0 GEADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(F)c(I)c1 ZINC000453193412 650206603 /nfs/dbraw/zinc/20/66/03/650206603.db2.gz HTVSYFVCEFWCAU-YGRLFVJLSA-N 2 2 378.229 2.148 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)NC[C@H](C)[NH+](C)C)[nH+]c12 ZINC000454791883 650278795 /nfs/dbraw/zinc/27/87/95/650278795.db2.gz YGCOLWDUHVQNNC-LBPRGKRZSA-N 2 2 382.306 2.197 20 0 GEADLP O=C(NCC[NH+]1CCC1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000506426748 650445121 /nfs/dbraw/zinc/44/51/21/650445121.db2.gz QPTLAYUCRMEOIM-UHFFFAOYSA-N 2 2 395.345 2.418 20 0 GEADLP COc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c(Br)c1 ZINC000512112733 650545558 /nfs/dbraw/zinc/54/55/58/650545558.db2.gz FVQJYXUOYYANAY-QGZVFWFLSA-N 2 2 398.345 2.490 20 0 GEADLP COc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c(Br)c1 ZINC000512112733 650545559 /nfs/dbraw/zinc/54/55/59/650545559.db2.gz FVQJYXUOYYANAY-QGZVFWFLSA-N 2 2 398.345 2.490 20 0 GEADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(Br)c(F)c2F)C1 ZINC000527654848 650681319 /nfs/dbraw/zinc/68/13/19/650681319.db2.gz UEQXFFQMASEFSV-LBPRGKRZSA-N 2 2 390.272 2.404 20 0 GEADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(Br)c(F)c2F)C1 ZINC000527654848 650681321 /nfs/dbraw/zinc/68/13/21/650681321.db2.gz UEQXFFQMASEFSV-LBPRGKRZSA-N 2 2 390.272 2.404 20 0 GEADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(I)cc2)C1 ZINC000484939522 650691276 /nfs/dbraw/zinc/69/12/76/650691276.db2.gz SBCGRRJKMXDTQW-SDDRHHMPSA-N 2 2 387.265 2.287 20 0 GEADLP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(I)cc2)C1 ZINC000484939522 650691277 /nfs/dbraw/zinc/69/12/77/650691277.db2.gz SBCGRRJKMXDTQW-SDDRHHMPSA-N 2 2 387.265 2.287 20 0 GEADLP C[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C[C@@H]1CCC[NH+](C)C1 ZINC000532580856 650750345 /nfs/dbraw/zinc/75/03/45/650750345.db2.gz FPYQMGLLKHTKCN-CYBMUJFWSA-N 2 2 379.302 2.231 20 0 GEADLP C[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C[C@@H]1CCC[NH+](C)C1 ZINC000532580856 650750350 /nfs/dbraw/zinc/75/03/50/650750350.db2.gz FPYQMGLLKHTKCN-CYBMUJFWSA-N 2 2 379.302 2.231 20 0 GEADLP C[NH+](Cc1cc(=O)n2cc(Br)ccc2n1)C[C@@H]1CCC[N@H+](C)C1 ZINC000532580856 650750353 /nfs/dbraw/zinc/75/03/53/650750353.db2.gz FPYQMGLLKHTKCN-CYBMUJFWSA-N 2 2 379.302 2.231 20 0 GEADLP C[NH+](Cc1cc(=O)n2cc(Br)ccc2n1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000532580856 650750356 /nfs/dbraw/zinc/75/03/56/650750356.db2.gz FPYQMGLLKHTKCN-CYBMUJFWSA-N 2 2 379.302 2.231 20 0 GEADLP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ncc(Br)s2)cc1 ZINC000541995276 650884980 /nfs/dbraw/zinc/88/49/80/650884980.db2.gz WNKWKJDXMJQUML-UHFFFAOYSA-N 2 2 397.342 2.487 20 0 GEADLP COc1c(Br)cccc1C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000261932857 645613286 /nfs/dbraw/zinc/61/32/86/645613286.db2.gz CZLWVXSMPDSQJI-CQSZACIVSA-N 2 2 384.318 2.277 20 0 GEADLP COc1c(Br)cccc1C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000261932857 645613291 /nfs/dbraw/zinc/61/32/91/645613291.db2.gz CZLWVXSMPDSQJI-CQSZACIVSA-N 2 2 384.318 2.277 20 0 GEADLP O=S1(=O)CC[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2cc(Br)ccc21 ZINC000547655521 651041132 /nfs/dbraw/zinc/04/11/32/651041132.db2.gz PSXQCRPALGMHCD-OCCSQVGLSA-N 2 2 396.310 2.469 20 0 GEADLP Cc1nn(C)c(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1Br ZINC000279231247 646586066 /nfs/dbraw/zinc/58/60/66/646586066.db2.gz YRPLHOCCCDCNQD-MRXNPFEDSA-N 2 2 393.329 2.347 20 0 GEADLP Cc1nn(C)c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1Br ZINC000279231247 646586071 /nfs/dbraw/zinc/58/60/71/646586071.db2.gz YRPLHOCCCDCNQD-MRXNPFEDSA-N 2 2 393.329 2.347 20 0 GEADLP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280289761 646667696 /nfs/dbraw/zinc/66/76/96/646667696.db2.gz ZCFBETRWCGKTCE-VIFPVBQESA-N 2 2 377.297 2.497 20 0 GEADLP O[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)COc1c(Cl)cccc1Cl ZINC000325857360 647304155 /nfs/dbraw/zinc/30/41/55/647304155.db2.gz WYDPWRHPAMTZEJ-BFHYXJOUSA-N 2 2 375.296 2.186 20 0 GEADLP O[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)COc1c(Cl)cccc1Cl ZINC000325857360 647304157 /nfs/dbraw/zinc/30/41/57/647304157.db2.gz WYDPWRHPAMTZEJ-BFHYXJOUSA-N 2 2 375.296 2.186 20 0 GEADLP CS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000414299345 648091199 /nfs/dbraw/zinc/09/11/99/648091199.db2.gz AAIPZPHZKOJPEI-UHFFFAOYSA-N 2 2 380.535 2.274 20 0 GEADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3ccc(I)cc3)C2)nn1 ZINC000420386601 648415305 /nfs/dbraw/zinc/41/53/05/648415305.db2.gz VFFXPFHDWKLFLR-HNNXBMFYSA-N 2 2 397.264 2.179 20 0 GEADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccc(I)cc3)C2)nn1 ZINC000420386601 648415309 /nfs/dbraw/zinc/41/53/09/648415309.db2.gz VFFXPFHDWKLFLR-HNNXBMFYSA-N 2 2 397.264 2.179 20 0 GEADLP Cc1ccsc1S(=O)(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420471769 648419864 /nfs/dbraw/zinc/41/98/64/648419864.db2.gz QNOHWFSRHZCKAD-UHFFFAOYSA-N 2 2 379.551 2.328 20 0 GEADLP COc1ccc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c(Br)c1 ZINC000420953474 648459112 /nfs/dbraw/zinc/45/91/12/648459112.db2.gz VELAKLRXRJIZSY-UHFFFAOYSA-N 2 2 399.329 2.117 20 0 GEADLP Brc1ccc2nc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cn2c1 ZINC000422737278 648574025 /nfs/dbraw/zinc/57/40/25/648574025.db2.gz ZMDHZVBQGAJUTA-BZUAXINKSA-N 2 2 379.302 2.344 20 0 GEADLP CC[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)[C@@H]1CCC[NH2+]1 ZINC000423107055 648580500 /nfs/dbraw/zinc/58/05/00/648580500.db2.gz PEYKTFJIOWFQGJ-STQMWFEESA-N 2 2 380.341 2.392 20 0 GEADLP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1c(Br)cncc1Br ZINC000423155072 648585102 /nfs/dbraw/zinc/58/51/02/648585102.db2.gz ISZKUZWWZLCIEE-GMOODISLSA-N 2 2 393.123 2.449 20 0 GEADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423258152 648588985 /nfs/dbraw/zinc/58/89/85/648588985.db2.gz BECSNAWFWNYQTE-JQWIXIFHSA-N 2 2 378.336 2.121 20 0 GEADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423300474 648589683 /nfs/dbraw/zinc/58/96/83/648589683.db2.gz RRKZFFYBEQMSIV-JQWIXIFHSA-N 2 2 378.336 2.265 20 0 GEADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423497270 648593140 /nfs/dbraw/zinc/59/31/40/648593140.db2.gz GIEUFUYFIUKMDT-QMTHXVAHSA-N 2 2 390.347 2.265 20 0 GEADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000424374719 648625595 /nfs/dbraw/zinc/62/55/95/648625595.db2.gz LOLUJNRJKGEPRA-ZWKOPEQDSA-N 2 2 376.320 2.017 20 0 GEADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC000430563605 648764360 /nfs/dbraw/zinc/76/43/60/648764360.db2.gz JLHQCQGMJZFOQF-VXGBXAGGSA-N 2 2 387.265 2.289 20 0 GEADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC000430563605 648764365 /nfs/dbraw/zinc/76/43/65/648764365.db2.gz JLHQCQGMJZFOQF-VXGBXAGGSA-N 2 2 387.265 2.289 20 0 GEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430726477 648766091 /nfs/dbraw/zinc/76/60/91/648766091.db2.gz WGVZJNMWAXAYQA-GMXVVIOVSA-N 2 2 390.347 2.230 20 0 GEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430726477 648766101 /nfs/dbraw/zinc/76/61/01/648766101.db2.gz WGVZJNMWAXAYQA-GMXVVIOVSA-N 2 2 390.347 2.230 20 0 GEADLP C[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(I)cc2)CC[N@@H+]1C ZINC000556606223 651247808 /nfs/dbraw/zinc/24/78/08/651247808.db2.gz UYFUNPMRTPFAPQ-FZMZJTMJSA-N 2 2 387.265 2.302 20 0 GEADLP C[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(I)cc2)CC[N@H+]1C ZINC000556606223 651247811 /nfs/dbraw/zinc/24/78/11/651247811.db2.gz UYFUNPMRTPFAPQ-FZMZJTMJSA-N 2 2 387.265 2.302 20 0 GEADLP CN(C)C(=O)C[NH+]1CCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000604756661 651521677 /nfs/dbraw/zinc/52/16/77/651521677.db2.gz OROOMFLJQMKLCB-UHFFFAOYSA-N 2 2 377.286 2.208 20 0 GEADLP CO[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@@H](C[NH3+])C1 ZINC000569811463 651726169 /nfs/dbraw/zinc/72/61/69/651726169.db2.gz ZBVMJRLEGPSEPR-CHWSQXEVSA-N 2 2 388.281 2.355 20 0 GEADLP CO[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@@H](C[NH3+])C1 ZINC000569811463 651726171 /nfs/dbraw/zinc/72/61/71/651726171.db2.gz ZBVMJRLEGPSEPR-CHWSQXEVSA-N 2 2 388.281 2.355 20 0 GEADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCOc2ccc(Br)cc2)CC1 ZINC000612122126 651745876 /nfs/dbraw/zinc/74/58/76/651745876.db2.gz LWGFXYHVECAAHW-HNNXBMFYSA-N 2 2 398.345 2.312 20 0 GEADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCOc2ccc(Br)cc2)CC1 ZINC000612122126 651745878 /nfs/dbraw/zinc/74/58/78/651745878.db2.gz LWGFXYHVECAAHW-HNNXBMFYSA-N 2 2 398.345 2.312 20 0 GEADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)CCCO1 ZINC000572979183 651927664 /nfs/dbraw/zinc/92/76/64/651927664.db2.gz YHVIIVSUGZWSJD-MRXNPFEDSA-N 2 2 377.286 2.456 20 0 GEADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)CCCO1 ZINC000572979183 651927671 /nfs/dbraw/zinc/92/76/71/651927671.db2.gz YHVIIVSUGZWSJD-MRXNPFEDSA-N 2 2 377.286 2.456 20 0 GEADLP C[C@@H](Oc1ccccc1Br)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617766268 651971507 /nfs/dbraw/zinc/97/15/07/651971507.db2.gz DJPBNONUCDKPFM-CQSZACIVSA-N 2 2 386.334 2.216 20 0 GEADLP C[C@@H](Oc1ccccc1Br)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617766268 651971512 /nfs/dbraw/zinc/97/15/12/651971512.db2.gz DJPBNONUCDKPFM-CQSZACIVSA-N 2 2 386.334 2.216 20 0 GEADLP C[N@@H+]1CC[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000655928338 652013621 /nfs/dbraw/zinc/01/36/21/652013621.db2.gz LUQFWUFQWBMXEQ-RWMBFGLXSA-N 2 2 382.789 2.413 20 0 GEADLP C[N@H+]1CC[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000655928338 652013625 /nfs/dbraw/zinc/01/36/25/652013625.db2.gz LUQFWUFQWBMXEQ-RWMBFGLXSA-N 2 2 382.789 2.413 20 0 GEADLP C[C@@H]1CC[C@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CS1(=O)=O ZINC000657636767 652182927 /nfs/dbraw/zinc/18/29/27/652182927.db2.gz IQKFHTAMGJRXIV-CABCVRRESA-N 2 2 385.961 2.147 20 0 GEADLP C[NH2+]C[C@H](C)NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000659634841 652362057 /nfs/dbraw/zinc/36/20/57/652362057.db2.gz NBCKHLHVZSSEDE-LBPRGKRZSA-N 2 2 384.278 2.058 20 0 GEADLP O=C(c1c(Cl)cccc1Cl)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662253220 652454434 /nfs/dbraw/zinc/45/44/34/652454434.db2.gz UGIMFVOTWYFBDW-CYBMUJFWSA-N 2 2 384.307 2.272 20 0 GEADLP CCC[C@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2Br)CC[N@@H+]1CCOC ZINC000662824034 652475493 /nfs/dbraw/zinc/47/54/93/652475493.db2.gz AGIAKJKAHYLHMW-WMLDXEAASA-N 2 2 398.345 2.408 20 0 GEADLP CCC[C@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2Br)CC[N@H+]1CCOC ZINC000662824034 652475496 /nfs/dbraw/zinc/47/54/96/652475496.db2.gz AGIAKJKAHYLHMW-WMLDXEAASA-N 2 2 398.345 2.408 20 0 GEADLP CCOc1cc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc(Br)c1O ZINC000584336785 652517062 /nfs/dbraw/zinc/51/70/62/652517062.db2.gz WFYHQBKRTJCXGN-UHFFFAOYSA-N 2 2 387.318 2.442 20 0 GEADLP CCOc1cc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc(Br)c1O ZINC000584336785 652517063 /nfs/dbraw/zinc/51/70/63/652517063.db2.gz WFYHQBKRTJCXGN-UHFFFAOYSA-N 2 2 387.318 2.442 20 0 GEADLP O=C(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)Nc1ccc(I)cc1 ZINC000585765446 652537355 /nfs/dbraw/zinc/53/73/55/652537355.db2.gz GRSRUXNIPOPDGM-CABCVRRESA-N 2 2 399.276 2.446 20 0 GEADLP O=C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Nc1ccc(I)cc1 ZINC000585765446 652537357 /nfs/dbraw/zinc/53/73/57/652537357.db2.gz GRSRUXNIPOPDGM-CABCVRRESA-N 2 2 399.276 2.446 20 0 GEADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H]2CCCOc3ccc(Br)cc32)n1 ZINC000665291695 652550156 /nfs/dbraw/zinc/55/01/56/652550156.db2.gz IFVUIYRYCCMZAX-ZDUSSCGKSA-N 2 2 379.258 2.407 20 0 GEADLP C[NH+](C)CC1CC[NH+](CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000590125519 652575603 /nfs/dbraw/zinc/57/56/03/652575603.db2.gz VWAUHAHYYQZEQC-UHFFFAOYSA-N 2 2 389.359 2.496 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cnc2c(Br)cccn12 ZINC000667099133 652591924 /nfs/dbraw/zinc/59/19/24/652591924.db2.gz NSTSHZYWFZQEDV-UHFFFAOYSA-N 2 2 397.321 2.102 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cnc2c(Br)cccn12 ZINC000667099133 652591929 /nfs/dbraw/zinc/59/19/29/652591929.db2.gz NSTSHZYWFZQEDV-UHFFFAOYSA-N 2 2 397.321 2.102 20 0 GEADLP COc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1Br ZINC000602200214 653157164 /nfs/dbraw/zinc/15/71/64/653157164.db2.gz HPICTTZHYRKCBU-CQSZACIVSA-N 2 2 396.329 2.356 20 0 GEADLP COc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1Br ZINC000602200214 653157173 /nfs/dbraw/zinc/15/71/73/653157173.db2.gz HPICTTZHYRKCBU-CQSZACIVSA-N 2 2 396.329 2.356 20 0 GEADLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cncc(Br)c1 ZINC000641785823 653233958 /nfs/dbraw/zinc/23/39/58/653233958.db2.gz LKRFHTVEJKMFFQ-MAUKXSAKSA-N 2 2 397.361 2.291 20 0 GEADLP Brc1ccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000641789645 653234161 /nfs/dbraw/zinc/23/41/61/653234161.db2.gz OTTYIZZWNCPSJQ-GOSISDBHSA-N 2 2 382.346 2.335 20 0 GEADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000684551879 653275359 /nfs/dbraw/zinc/27/53/59/653275359.db2.gz CMQLWVIVKBSSPF-KRWDZBQOSA-N 2 2 384.293 2.403 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC[C@]3(C)CC3(Cl)Cl)C2)CC1 ZINC000836318652 653344707 /nfs/dbraw/zinc/34/47/07/653344707.db2.gz OLFQPMGCIMLAKY-CZUORRHYSA-N 2 2 377.360 2.428 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC[C@]3(C)CC3(Cl)Cl)C2)CC1 ZINC000836318652 653344717 /nfs/dbraw/zinc/34/47/17/653344717.db2.gz OLFQPMGCIMLAKY-CZUORRHYSA-N 2 2 377.360 2.428 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC[C@]3(C)CC3(Cl)Cl)C2)CC1 ZINC000836318653 653344993 /nfs/dbraw/zinc/34/49/93/653344993.db2.gz OLFQPMGCIMLAKY-XJKSGUPXSA-N 2 2 377.360 2.428 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC[C@]3(C)CC3(Cl)Cl)C2)CC1 ZINC000836318653 653344998 /nfs/dbraw/zinc/34/49/98/653344998.db2.gz OLFQPMGCIMLAKY-XJKSGUPXSA-N 2 2 377.360 2.428 20 0 GEADLP COC(=O)c1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1Br ZINC000877022042 653460865 /nfs/dbraw/zinc/46/08/65/653460865.db2.gz NHGJUGLMAHRRGN-KGLIPLIRSA-N 2 2 383.286 2.189 20 0 GEADLP COC(=O)c1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1Br ZINC000877022042 653460871 /nfs/dbraw/zinc/46/08/71/653460871.db2.gz NHGJUGLMAHRRGN-KGLIPLIRSA-N 2 2 383.286 2.189 20 0 GEADLP CN(C(=O)NC[C@@]1(C)CC1(Cl)Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000838662591 653627447 /nfs/dbraw/zinc/62/74/47/653627447.db2.gz FIEKESVONRDXFZ-GOEBONIOSA-N 2 2 377.360 2.380 20 0 GEADLP CN(C(=O)NC[C@@]1(C)CC1(Cl)Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000838662591 653627451 /nfs/dbraw/zinc/62/74/51/653627451.db2.gz FIEKESVONRDXFZ-GOEBONIOSA-N 2 2 377.360 2.380 20 0 GEADLP Cn1nc(Br)cc1CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000784300540 653691513 /nfs/dbraw/zinc/69/15/13/653691513.db2.gz RTOSMBWBZOVQRJ-CYBMUJFWSA-N 2 2 379.306 2.330 20 0 GEADLP Cc1ccnc(C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1Br ZINC000865513762 653767225 /nfs/dbraw/zinc/76/72/25/653767225.db2.gz ZWOIWNUGGDWEFO-AWEZNQCLSA-N 2 2 385.350 2.335 20 0 GEADLP C[NH+](C)CC1(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)CC1 ZINC000822340522 653824189 /nfs/dbraw/zinc/82/41/89/653824189.db2.gz YMLMHMNWYUEOBD-UHFFFAOYSA-N 2 2 395.345 2.481 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCC[C@H]3CC3(Cl)Cl)C2)CC1 ZINC000844984663 653831645 /nfs/dbraw/zinc/83/16/45/653831645.db2.gz NMIFLWCXOUAQDR-KBPBESRZSA-N 2 2 377.360 2.428 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCC[C@H]3CC3(Cl)Cl)C2)CC1 ZINC000844984663 653831651 /nfs/dbraw/zinc/83/16/51/653831651.db2.gz NMIFLWCXOUAQDR-KBPBESRZSA-N 2 2 377.360 2.428 20 0 GEADLP CN(C)c1nc(Cl)c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000823267207 653860057 /nfs/dbraw/zinc/86/00/57/653860057.db2.gz QWPSIBRGUWFFKO-ZDUSSCGKSA-N 2 2 385.965 2.103 20 0 GEADLP CN(C)c1nc(Cl)c(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000823267207 653860061 /nfs/dbraw/zinc/86/00/61/653860061.db2.gz QWPSIBRGUWFFKO-ZDUSSCGKSA-N 2 2 385.965 2.103 20 0 GEADLP [NH3+][C@@H](C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Br)cc1 ZINC000884317280 653871835 /nfs/dbraw/zinc/87/18/35/653871835.db2.gz QGQCUJGHMXHHNF-GOEBONIOSA-N 2 2 375.270 2.239 20 0 GEADLP CN([C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccns1 ZINC000885073536 653910403 /nfs/dbraw/zinc/91/04/03/653910403.db2.gz HDLPWPCSXWLVJJ-JKSUJKDBSA-N 2 2 386.587 2.101 20 0 GEADLP CN([C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccns1 ZINC000885073536 653910406 /nfs/dbraw/zinc/91/04/06/653910406.db2.gz HDLPWPCSXWLVJJ-JKSUJKDBSA-N 2 2 386.587 2.101 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cnc(F)c(Br)c3)CC2)CC1 ZINC000847409925 653927526 /nfs/dbraw/zinc/92/75/26/653927526.db2.gz VMHSRKCTRQEVEE-UHFFFAOYSA-N 2 2 399.308 2.272 20 0 GEADLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000849112935 654004945 /nfs/dbraw/zinc/00/49/45/654004945.db2.gz JYAQQMRYVXQWRR-HNNXBMFYSA-N 2 2 386.949 2.102 20 0 GEADLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000849112935 654004948 /nfs/dbraw/zinc/00/49/48/654004948.db2.gz JYAQQMRYVXQWRR-HNNXBMFYSA-N 2 2 386.949 2.102 20 0 GEADLP COc1ncc(Br)cc1CN(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000851873258 654196478 /nfs/dbraw/zinc/19/64/78/654196478.db2.gz UKYUPEMXXRTZCT-KRWDZBQOSA-N 2 2 397.361 2.453 20 0 GEADLP COc1ncc(Br)cc1CN(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000851873258 654196485 /nfs/dbraw/zinc/19/64/85/654196485.db2.gz UKYUPEMXXRTZCT-KRWDZBQOSA-N 2 2 397.361 2.453 20 0 GEADLP Brc1ncn(CC[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)n1 ZINC000852037403 654214561 /nfs/dbraw/zinc/21/45/61/654214561.db2.gz QBRPNKGDMSWPCR-UHFFFAOYSA-N 2 2 387.285 2.411 20 0 GEADLP O=S(=O)(c1cc(Cl)ccc1F)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562184 654256566 /nfs/dbraw/zinc/25/65/66/654256566.db2.gz GKOQUTMTEWRXLT-GASCZTMLSA-N 2 2 387.908 2.068 20 0 GEADLP O=S(=O)(c1cc(Cl)ccc1F)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562184 654256572 /nfs/dbraw/zinc/25/65/72/654256572.db2.gz GKOQUTMTEWRXLT-GASCZTMLSA-N 2 2 387.908 2.068 20 0 GEADLP O=S(=O)(c1cc(F)cc(Cl)c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562787 654256644 /nfs/dbraw/zinc/25/66/44/654256644.db2.gz UBSOLAUMQBUFLU-IYBDPMFKSA-N 2 2 387.908 2.068 20 0 GEADLP O=S(=O)(c1cc(F)cc(Cl)c1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562787 654256648 /nfs/dbraw/zinc/25/66/48/654256648.db2.gz UBSOLAUMQBUFLU-IYBDPMFKSA-N 2 2 387.908 2.068 20 0 GEADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872152319 654314825 /nfs/dbraw/zinc/31/48/25/654314825.db2.gz OURIQIKRMXZOJU-QIIPPGSGSA-N 2 2 380.330 2.337 20 0 GEADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872152319 654314833 /nfs/dbraw/zinc/31/48/33/654314833.db2.gz OURIQIKRMXZOJU-QIIPPGSGSA-N 2 2 380.330 2.337 20 0 GEADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cccc(F)c1I ZINC000873045168 654412020 /nfs/dbraw/zinc/41/20/20/654412020.db2.gz CHLITIMFJBTKSZ-LBPRGKRZSA-N 2 2 391.272 2.156 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000855415001 654417985 /nfs/dbraw/zinc/41/79/85/654417985.db2.gz PILKLYVDRVCPMZ-MRXNPFEDSA-N 2 2 376.328 2.417 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000855415001 654417991 /nfs/dbraw/zinc/41/79/91/654417991.db2.gz PILKLYVDRVCPMZ-MRXNPFEDSA-N 2 2 376.328 2.417 20 0 GEADLP O=C(c1ccc(Cl)cc1Cl)N1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923301776 654442352 /nfs/dbraw/zinc/44/23/52/654442352.db2.gz XOENRYBQHDHXOM-AWEZNQCLSA-N 2 2 384.307 2.130 20 0 GEADLP C[N@H+](Cc1ncc(Br)cc1O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894460300 654477832 /nfs/dbraw/zinc/47/78/32/654477832.db2.gz VOXSKBAPWUPAHZ-OAHLLOKOSA-N 2 2 383.334 2.150 20 0 GEADLP C[N@@H+](Cc1ncc(Br)cc1O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894460300 654477837 /nfs/dbraw/zinc/47/78/37/654477837.db2.gz VOXSKBAPWUPAHZ-OAHLLOKOSA-N 2 2 383.334 2.150 20 0 GEADLP C[N@@H+]1CC[C@H]1CNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000925424791 654544334 /nfs/dbraw/zinc/54/43/34/654544334.db2.gz ZQUKWMHZOWRTTB-ZDUSSCGKSA-N 2 2 396.289 2.155 20 0 GEADLP C[N@H+]1CC[C@H]1CNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000925424791 654544337 /nfs/dbraw/zinc/54/43/37/654544337.db2.gz ZQUKWMHZOWRTTB-ZDUSSCGKSA-N 2 2 396.289 2.155 20 0 GEADLP C[C@@H]([NH3+])[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000925479029 654545308 /nfs/dbraw/zinc/54/53/08/654545308.db2.gz PUCLZTRERIJAKH-DOMZBBRYSA-N 2 2 379.448 2.226 20 0 GEADLP CCOc1ccc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)cc1Br ZINC000926100747 654558952 /nfs/dbraw/zinc/55/89/52/654558952.db2.gz MDYWZHYHGUTYNT-UHFFFAOYSA-N 2 2 385.306 2.392 20 0 GEADLP C[NH+]1CCN(c2cccc(N3CCC4(CC[NH2+]CC4)[C@@H]3C(F)(F)F)[nH+]2)CC1 ZINC001164388826 718814940 /nfs/dbraw/zinc/81/49/40/718814940.db2.gz QZPMOWZUHCPQKQ-QGZVFWFLSA-N 3 2 383.462 2.344 20 0 GEADLP COCCN1CC[N@H+](C)C2(CCN(c3[nH+]ccc4cc(OC)ccc43)CC2)C1=O ZINC001164634645 719271118 /nfs/dbraw/zinc/27/11/18/719271118.db2.gz KVCLKFOUSOEQMZ-UHFFFAOYSA-N 2 2 398.507 2.003 20 0 GEADLP COCCN1CC[N@@H+](C)C2(CCN(c3[nH+]ccc4cc(OC)ccc43)CC2)C1=O ZINC001164634645 719271122 /nfs/dbraw/zinc/27/11/22/719271122.db2.gz KVCLKFOUSOEQMZ-UHFFFAOYSA-N 2 2 398.507 2.003 20 0 GEADLP Cc1c[nH+]c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1NC1CC1 ZINC001164817628 720284802 /nfs/dbraw/zinc/28/48/02/720284802.db2.gz FLLWTIJICGTCFU-OALUTQOASA-N 2 2 398.555 2.271 20 0 GEADLP Cc1nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c2c([nH+]1)CCC2 ZINC001164828478 720332430 /nfs/dbraw/zinc/33/24/30/720332430.db2.gz JTURGOYYIYKCJO-UXHICEINSA-N 2 2 383.540 2.185 20 0 GEADLP Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(C)c(C)[nH+]1 ZINC001164748148 720852676 /nfs/dbraw/zinc/85/26/76/720852676.db2.gz KPPWNQVBLJTSMZ-HSALFYBXSA-N 2 2 381.528 2.373 20 0 GEADLP Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(C)c(C)[nH+]1 ZINC001164748148 720852678 /nfs/dbraw/zinc/85/26/78/720852678.db2.gz KPPWNQVBLJTSMZ-HSALFYBXSA-N 2 2 381.528 2.373 20 0 GEADLP C[NH+]1CCN(c2cccc(N3CCC[C@@H]4CN(C(=O)c5ccco5)C[C@@H]43)[nH+]2)CC1 ZINC001165014725 721771323 /nfs/dbraw/zinc/77/13/23/721771323.db2.gz FVCDGLCPWWRQFO-MSOLQXFVSA-N 2 2 395.507 2.167 20 0 GEADLP C[NH+]1CCN(c2cccc(N3CC[C@]4(C[C@H](Oc5cccnc5)CO4)C3)[nH+]2)CC1 ZINC001164916933 721806714 /nfs/dbraw/zinc/80/67/14/721806714.db2.gz SLKWRKRAPCUOEM-UGKGYDQZSA-N 2 2 395.507 2.045 20 0 GEADLP Cc1c[nH+]c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1NC1CC1 ZINC001164975548 722099059 /nfs/dbraw/zinc/09/90/59/722099059.db2.gz CIOVBYRKHYEEKA-UYAOXDASSA-N 2 2 394.523 2.482 20 0 GEADLP Cc1c[nH+]c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1NC1CC1 ZINC001164975548 722099060 /nfs/dbraw/zinc/09/90/60/722099060.db2.gz CIOVBYRKHYEEKA-UYAOXDASSA-N 2 2 394.523 2.482 20 0 GEADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000151788737 531520523 /nfs/dbraw/zinc/52/05/23/531520523.db2.gz COSDDWBWPRQDST-KDOFPFPSSA-N 2 2 393.329 2.043 20 0 GEADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000151788737 531520532 /nfs/dbraw/zinc/52/05/32/531520532.db2.gz COSDDWBWPRQDST-KDOFPFPSSA-N 2 2 393.329 2.043 20 0 GEADLP Cc1cc(S(=O)(=O)NCC[NH2+]Cc2c[nH+]c3c(C)cccn23)c(C)s1 ZINC000158379524 531778018 /nfs/dbraw/zinc/77/80/18/531778018.db2.gz QERFELDIGRSXPM-UHFFFAOYSA-N 2 2 378.523 2.389 20 0 GEADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000162219247 531839551 /nfs/dbraw/zinc/83/95/51/531839551.db2.gz NGTOKNBLIZSICI-QGZVFWFLSA-N 2 2 398.345 2.455 20 0 GEADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000171658894 531909743 /nfs/dbraw/zinc/90/97/43/531909743.db2.gz KXPVETNIIADNPF-UHFFFAOYSA-N 2 2 386.309 2.478 20 0 GEADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(I)cc1 ZINC000124352820 532118657 /nfs/dbraw/zinc/11/86/57/532118657.db2.gz ADDZTMVHTOCMBR-UHFFFAOYSA-N 2 2 398.248 2.448 20 0 GEADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(I)cc1 ZINC000124352820 532118659 /nfs/dbraw/zinc/11/86/59/532118659.db2.gz ADDZTMVHTOCMBR-UHFFFAOYSA-N 2 2 398.248 2.448 20 0 GEADLP C[C@@H]([NH2+]Cc1cscn1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000127413027 532154108 /nfs/dbraw/zinc/15/41/08/532154108.db2.gz LOUPNWWYMYNEKV-CQSZACIVSA-N 2 2 382.555 2.224 20 0 GEADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000127889179 532158204 /nfs/dbraw/zinc/15/82/04/532158204.db2.gz DUVFVQJUINBOHK-QGZVFWFLSA-N 2 2 381.318 2.345 20 0 GEADLP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)Nc1cccc(Br)c1 ZINC000129176195 532174330 /nfs/dbraw/zinc/17/43/30/532174330.db2.gz FEQNPFSFXSUTHI-HNNXBMFYSA-N 2 2 396.329 2.432 20 0 GEADLP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)Nc1cccc(Br)c1 ZINC000129176195 532174334 /nfs/dbraw/zinc/17/43/34/532174334.db2.gz FEQNPFSFXSUTHI-HNNXBMFYSA-N 2 2 396.329 2.432 20 0 GEADLP O=S(=O)(c1ccc(Cl)s1)N1CCC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000182743811 532317190 /nfs/dbraw/zinc/31/71/90/532317190.db2.gz JRMPANZRSFWPCY-UHFFFAOYSA-N 2 2 388.946 2.385 20 0 GEADLP O=S(=O)(c1ccc(Cl)s1)N1CCC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000182743811 532317192 /nfs/dbraw/zinc/31/71/92/532317192.db2.gz JRMPANZRSFWPCY-UHFFFAOYSA-N 2 2 388.946 2.385 20 0 GEADLP Cc1cc(S(=O)(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)sc1Cl ZINC000191902883 532373457 /nfs/dbraw/zinc/37/34/57/532373457.db2.gz VPXICVMRJHIQQN-UHFFFAOYSA-N 2 2 379.979 2.356 20 0 GEADLP Cc1cc(S(=O)(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)sc1Cl ZINC000191902883 532373464 /nfs/dbraw/zinc/37/34/64/532373464.db2.gz VPXICVMRJHIQQN-UHFFFAOYSA-N 2 2 379.979 2.356 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)COc3ccccc3Br)C2)CC1 ZINC000372344267 532385525 /nfs/dbraw/zinc/38/55/25/532385525.db2.gz BNFYZSLQMYDBAN-AWEZNQCLSA-N 2 2 396.329 2.113 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)COc3ccccc3Br)C2)CC1 ZINC000372344267 532385531 /nfs/dbraw/zinc/38/55/31/532385531.db2.gz BNFYZSLQMYDBAN-AWEZNQCLSA-N 2 2 396.329 2.113 20 0 GEADLP CN(C(=O)c1ccc(Br)c(O)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000677911925 532385900 /nfs/dbraw/zinc/38/59/00/532385900.db2.gz KIDPVJQVODFEOI-OAHLLOKOSA-N 2 2 396.329 2.395 20 0 GEADLP CN(C(=O)c1ccc(Br)c(O)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000677911925 532385908 /nfs/dbraw/zinc/38/59/08/532385908.db2.gz KIDPVJQVODFEOI-OAHLLOKOSA-N 2 2 396.329 2.395 20 0 GEADLP Fc1c(Br)cccc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000648452348 532398242 /nfs/dbraw/zinc/39/82/42/532398242.db2.gz YIXQAXVMTHSDMG-HNNXBMFYSA-N 2 2 386.309 2.084 20 0 GEADLP Cn1c[nH+]cc1CCC[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000517168137 532406862 /nfs/dbraw/zinc/40/68/62/532406862.db2.gz OFUJRPNEMSBLBF-UHFFFAOYSA-N 2 2 382.917 2.013 20 0 GEADLP C[N@H+](CCn1cc(Br)cn1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681713243 532435538 /nfs/dbraw/zinc/43/55/38/532435538.db2.gz JSDQCCFOUGJPJH-SFHVURJKSA-N 2 2 393.329 2.214 20 0 GEADLP C[N@@H+](CCn1cc(Br)cn1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681713243 532435548 /nfs/dbraw/zinc/43/55/48/532435548.db2.gz JSDQCCFOUGJPJH-SFHVURJKSA-N 2 2 393.329 2.214 20 0 GEADLP C[NH+](CCn1cc(Br)cn1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000681713243 532435555 /nfs/dbraw/zinc/43/55/55/532435555.db2.gz JSDQCCFOUGJPJH-SFHVURJKSA-N 2 2 393.329 2.214 20 0 GEADLP C[NH+](CCn1cc(Br)cn1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000681713243 532435560 /nfs/dbraw/zinc/43/55/60/532435560.db2.gz JSDQCCFOUGJPJH-SFHVURJKSA-N 2 2 393.329 2.214 20 0 GEADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428029927 532441445 /nfs/dbraw/zinc/44/14/45/532441445.db2.gz GELXLWSDYVWLLW-JMSVASOKSA-N 2 2 399.276 2.302 20 0 GEADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428029927 532441449 /nfs/dbraw/zinc/44/14/49/532441449.db2.gz GELXLWSDYVWLLW-JMSVASOKSA-N 2 2 399.276 2.302 20 0 GEADLP NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000562839306 532485697 /nfs/dbraw/zinc/48/56/97/532485697.db2.gz LJYOVLDPECHIAT-ZACQAIPSSA-N 2 2 396.329 2.194 20 0 GEADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Br)cc2)C[C@H](C)O1 ZINC000563002908 532492289 /nfs/dbraw/zinc/49/22/89/532492289.db2.gz LPXKRTIKVFTHLN-FRULXJFHSA-N 2 2 383.330 2.365 20 0 GEADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Br)cc2)C[C@H](C)O1 ZINC000563002908 532492293 /nfs/dbraw/zinc/49/22/93/532492293.db2.gz LPXKRTIKVFTHLN-FRULXJFHSA-N 2 2 383.330 2.365 20 0 GEADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430614387 532502325 /nfs/dbraw/zinc/50/23/25/532502325.db2.gz YYDLPSAPUDEYNZ-NWDGAFQWSA-N 2 2 387.311 2.107 20 0 GEADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430614387 532502330 /nfs/dbraw/zinc/50/23/30/532502330.db2.gz YYDLPSAPUDEYNZ-NWDGAFQWSA-N 2 2 387.311 2.107 20 0 GEADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000563356756 532502515 /nfs/dbraw/zinc/50/25/15/532502515.db2.gz YOBLOOZHBQLYOB-HIFRSBDPSA-N 2 2 380.286 2.412 20 0 GEADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000563356756 532502520 /nfs/dbraw/zinc/50/25/20/532502520.db2.gz YOBLOOZHBQLYOB-HIFRSBDPSA-N 2 2 380.286 2.412 20 0 GEADLP C[NH+](C)C1CC[NH+](CCNC(=O)C2(c3cncc(Br)c3)CC2)CC1 ZINC000282871461 532503252 /nfs/dbraw/zinc/50/32/52/532503252.db2.gz UYMWPRBSOXBWDC-UHFFFAOYSA-N 2 2 395.345 2.018 20 0 GEADLP CCOc1c(Br)cc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1OC ZINC000629652236 532499778 /nfs/dbraw/zinc/49/97/78/532499778.db2.gz DERWLFKUJRIJTP-UHFFFAOYSA-N 2 2 397.273 2.101 20 0 GEADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(Br)cc1OC ZINC000563353334 532500769 /nfs/dbraw/zinc/50/07/69/532500769.db2.gz NZVRXWLBEFUUIP-OCCSQVGLSA-N 2 2 375.307 2.047 20 0 GEADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(Br)cc1OC ZINC000563353334 532500771 /nfs/dbraw/zinc/50/07/71/532500771.db2.gz NZVRXWLBEFUUIP-OCCSQVGLSA-N 2 2 375.307 2.047 20 0 GEADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595021040 532540615 /nfs/dbraw/zinc/54/06/15/532540615.db2.gz WMZNDYUDFDYSKC-HOCLYGCPSA-N 2 2 385.293 2.114 20 0 GEADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595021040 532540621 /nfs/dbraw/zinc/54/06/21/532540621.db2.gz WMZNDYUDFDYSKC-HOCLYGCPSA-N 2 2 385.293 2.114 20 0 GEADLP COc1cc(Br)ccc1C[NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000375250884 532544235 /nfs/dbraw/zinc/54/42/35/532544235.db2.gz XNHHYXGYLWINRH-CXAGYDPISA-N 2 2 393.285 2.301 20 0 GEADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000653087483 532530988 /nfs/dbraw/zinc/53/09/88/532530988.db2.gz YORPOSFLYDJYTE-CABCVRRESA-N 2 2 378.275 2.311 20 0 GEADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000565173728 532550852 /nfs/dbraw/zinc/55/08/52/532550852.db2.gz VAKWPJNBWWYWSV-DOTOQJQBSA-N 2 2 387.318 2.130 20 0 GEADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000565173728 532550857 /nfs/dbraw/zinc/55/08/57/532550857.db2.gz VAKWPJNBWWYWSV-DOTOQJQBSA-N 2 2 387.318 2.130 20 0 GEADLP CN(C(=O)c1c(F)cncc1Br)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631246795 532551023 /nfs/dbraw/zinc/55/10/23/532551023.db2.gz KDAPSJXFYBSYTN-ZDUSSCGKSA-N 2 2 399.308 2.224 20 0 GEADLP CN(C(=O)c1c(F)cncc1Br)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631246795 532551030 /nfs/dbraw/zinc/55/10/30/532551030.db2.gz KDAPSJXFYBSYTN-ZDUSSCGKSA-N 2 2 399.308 2.224 20 0 GEADLP O=C(CCCn1cc[nH+]c1)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000654483995 532563470 /nfs/dbraw/zinc/56/34/70/532563470.db2.gz IPZFCMNAPWSAAE-UHFFFAOYSA-N 2 2 394.273 2.296 20 0 GEADLP COc1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c(F)cc1Br ZINC000631181741 532547610 /nfs/dbraw/zinc/54/76/10/532547610.db2.gz QPTRCHHJVJZKRE-AWEZNQCLSA-N 2 2 388.281 2.026 20 0 GEADLP COc1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c(F)cc1Br ZINC000631181741 532547617 /nfs/dbraw/zinc/54/76/17/532547617.db2.gz QPTRCHHJVJZKRE-AWEZNQCLSA-N 2 2 388.281 2.026 20 0 GEADLP O=C(CC[NH2+][C@@H]1CCC[N@@H+](CCCO)C1)Nc1ccc(Br)cc1 ZINC000565716522 532574376 /nfs/dbraw/zinc/57/43/76/532574376.db2.gz ILLYOQOXSUBYQX-MRXNPFEDSA-N 2 2 384.318 2.214 20 0 GEADLP O=C(CC[NH2+][C@@H]1CCC[N@H+](CCCO)C1)Nc1ccc(Br)cc1 ZINC000565716522 532574383 /nfs/dbraw/zinc/57/43/83/532574383.db2.gz ILLYOQOXSUBYQX-MRXNPFEDSA-N 2 2 384.318 2.214 20 0 GEADLP COc1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc(I)c1OC ZINC000435373704 532614889 /nfs/dbraw/zinc/61/48/89/532614889.db2.gz ODLSEAYCVKJGMZ-CMPLNLGQSA-N 2 2 390.265 2.478 20 0 GEADLP COc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc(I)c1OC ZINC000435373704 532614891 /nfs/dbraw/zinc/61/48/91/532614891.db2.gz ODLSEAYCVKJGMZ-CMPLNLGQSA-N 2 2 390.265 2.478 20 0 GEADLP O=C(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)Nc1cccc(Br)c1 ZINC000566245651 532602264 /nfs/dbraw/zinc/60/22/64/532602264.db2.gz ONFAXTHDAPYWAC-OAGGEKHMSA-N 2 2 382.302 2.134 20 0 GEADLP CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000567068224 532639146 /nfs/dbraw/zinc/63/91/46/532639146.db2.gz XFOVVWOGPCNVDO-HNNXBMFYSA-N 2 2 380.330 2.360 20 0 GEADLP CC[C@H]1Cc2c(Br)cccc2C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000567068224 532639153 /nfs/dbraw/zinc/63/91/53/532639153.db2.gz XFOVVWOGPCNVDO-HNNXBMFYSA-N 2 2 380.330 2.360 20 0 GEADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccccc1Br ZINC000264421849 532673512 /nfs/dbraw/zinc/67/35/12/532673512.db2.gz OEWFIMGSLBCWLZ-UHFFFAOYSA-N 2 2 382.346 2.476 20 0 GEADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccccc1Br ZINC000264421849 532673513 /nfs/dbraw/zinc/67/35/13/532673513.db2.gz OEWFIMGSLBCWLZ-UHFFFAOYSA-N 2 2 382.346 2.476 20 0 GEADLP O=S(=O)(NCC[NH2+]Cc1cccc2[nH+]ccn21)c1ccc(F)cc1Cl ZINC000509410531 532769017 /nfs/dbraw/zinc/76/90/17/532769017.db2.gz MQABBSNVYQJRDX-UHFFFAOYSA-N 2 2 382.848 2.195 20 0 GEADLP CC(CC[NH+]1CC[S@](=O)CC1(C)C)CC[N@@H+]1CC[S@](=O)CC1(C)C ZINC000411599615 532769399 /nfs/dbraw/zinc/76/93/99/532769399.db2.gz CAJRGFDMGMRESI-ZEQRLZLVSA-N 2 2 376.632 2.089 20 0 GEADLP CC(CC[NH+]1CC[S@](=O)CC1(C)C)CC[N@H+]1CC[S@](=O)CC1(C)C ZINC000411599615 532769407 /nfs/dbraw/zinc/76/94/07/532769407.db2.gz CAJRGFDMGMRESI-ZEQRLZLVSA-N 2 2 376.632 2.089 20 0 GEADLP C[C@H](C[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)C[NH+]1CCOCC1 ZINC000268993200 532774050 /nfs/dbraw/zinc/77/40/50/532774050.db2.gz HKBQNRXIXCKGNN-ZIAGYGMSSA-N 2 2 376.469 2.302 20 0 GEADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cccc(O)c3Br)CC2)CC1 ZINC000459566897 532796560 /nfs/dbraw/zinc/79/65/60/532796560.db2.gz VADHFTLWFSZNTN-UHFFFAOYSA-N 2 2 396.329 2.141 20 0 GEADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(OC)c(O)c3Br)C2)CC1 ZINC000273699419 532831670 /nfs/dbraw/zinc/83/16/70/532831670.db2.gz CVEMBPQXECUJRS-HNNXBMFYSA-N 2 2 398.345 2.375 20 0 GEADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(OC)c(O)c3Br)C2)CC1 ZINC000273699419 532831672 /nfs/dbraw/zinc/83/16/72/532831672.db2.gz CVEMBPQXECUJRS-HNNXBMFYSA-N 2 2 398.345 2.375 20 0 GEADLP COc1cc(C[NH2+]C[C@H]2C[NH2+]CCN2C)cc(Br)c1OC(F)F ZINC000414960501 532836052 /nfs/dbraw/zinc/83/60/52/532836052.db2.gz GYILWLLWINRVCC-LLVKDONJSA-N 2 2 394.260 2.052 20 0 GEADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414971180 532836941 /nfs/dbraw/zinc/83/69/41/532836941.db2.gz HUNMRZHKLHHZSL-KRWDZBQOSA-N 2 2 392.345 2.245 20 0 GEADLP COc1cc(Br)c(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1O ZINC000415131009 532838976 /nfs/dbraw/zinc/83/89/76/532838976.db2.gz RRAAJOUWOXQUPN-ZDUSSCGKSA-N 2 2 396.289 2.051 20 0 GEADLP COc1cc(Br)c(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1O ZINC000415131009 532838979 /nfs/dbraw/zinc/83/89/79/532838979.db2.gz RRAAJOUWOXQUPN-ZDUSSCGKSA-N 2 2 396.289 2.051 20 0 GEADLP [NH3+]CC[C@@H](NC(=O)NCc1cn2cc(Br)ccc2[nH+]1)C(F)(F)F ZINC000415995285 532862517 /nfs/dbraw/zinc/86/25/17/532862517.db2.gz MVITZCUYRPBOFK-SNVBAGLBSA-N 2 2 394.195 2.176 20 0 GEADLP [NH3+]CC[C@@H](NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)C(F)(F)F ZINC000416032407 532863608 /nfs/dbraw/zinc/86/36/08/532863608.db2.gz QAYLGHHDGCALTK-CQSZACIVSA-N 2 2 378.826 2.277 20 0 GEADLP [NH3+]CC[C@@H](NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)C(F)(F)F ZINC000416032407 532863609 /nfs/dbraw/zinc/86/36/09/532863609.db2.gz QAYLGHHDGCALTK-CQSZACIVSA-N 2 2 378.826 2.277 20 0 GEADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000423084437 532893516 /nfs/dbraw/zinc/89/35/16/532893516.db2.gz HYUUGVWUBNEOMN-XJKSGUPXSA-N 2 2 379.302 2.491 20 0 GEADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000371320750 532947496 /nfs/dbraw/zinc/94/74/96/532947496.db2.gz JAZMWSRSCHZSHN-DLBZAZTESA-N 2 2 386.323 2.441 20 0 GEADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000371320750 532947497 /nfs/dbraw/zinc/94/74/97/532947497.db2.gz JAZMWSRSCHZSHN-DLBZAZTESA-N 2 2 386.323 2.441 20 0 GEADLP COc1ccc(C[NH2+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)cc1-c1nn[nH]n1 ZINC000737091452 599284953 /nfs/dbraw/zinc/28/49/53/599284953.db2.gz BSNYUXHOZKDDBL-CQSZACIVSA-N 2 2 381.484 2.474 20 0 GEADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737503786 598356408 /nfs/dbraw/zinc/35/64/08/598356408.db2.gz YYSDNGBHQFNIDI-DYVFJYSZSA-N 2 2 380.456 2.036 20 0 GEADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737503786 598356410 /nfs/dbraw/zinc/35/64/10/598356410.db2.gz YYSDNGBHQFNIDI-DYVFJYSZSA-N 2 2 380.456 2.036 20 0 GEADLP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)CC1 ZINC000736534840 598508601 /nfs/dbraw/zinc/50/86/01/598508601.db2.gz SCBUBGISLIZTNZ-UHFFFAOYSA-N 2 2 389.504 2.069 20 0 GEADLP c1cn(CC[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)c[nH+]1 ZINC000738411903 598560758 /nfs/dbraw/zinc/56/07/58/598560758.db2.gz ZAOLQHABXIUWCR-UHFFFAOYSA-N 2 2 375.436 2.432 20 0 GEADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)o3)cc2)C[C@H](C)O1 ZINC000820759362 599398532 /nfs/dbraw/zinc/39/85/32/599398532.db2.gz JVZRKGDODFGWDH-GASCZTMLSA-N 2 2 382.468 2.359 20 0 GEADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)o3)cc2)C[C@H](C)O1 ZINC000820759362 599398535 /nfs/dbraw/zinc/39/85/35/599398535.db2.gz JVZRKGDODFGWDH-GASCZTMLSA-N 2 2 382.468 2.359 20 0 GEADLP COCCC[NH+]1CCC(Nc2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc23)CC1 ZINC000821687554 599519065 /nfs/dbraw/zinc/51/90/65/599519065.db2.gz FDHOPAXHNQLZOE-UHFFFAOYSA-N 2 2 381.484 2.058 20 0 GEADLP C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000824046775 607476799 /nfs/dbraw/zinc/47/67/99/607476799.db2.gz UZMIDWFJWOIMPX-VCBZYWHSSA-N 2 2 395.511 2.142 20 0 GEADLP C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000824046775 607476800 /nfs/dbraw/zinc/47/68/00/607476800.db2.gz UZMIDWFJWOIMPX-VCBZYWHSSA-N 2 2 395.511 2.142 20 0 GEADLP C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000824046775 607476801 /nfs/dbraw/zinc/47/68/01/607476801.db2.gz UZMIDWFJWOIMPX-VCBZYWHSSA-N 2 2 395.511 2.142 20 0 GEADLP C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000824046775 607476802 /nfs/dbraw/zinc/47/68/02/607476802.db2.gz UZMIDWFJWOIMPX-VCBZYWHSSA-N 2 2 395.511 2.142 20 0 GEADLP O=C(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407583 607478060 /nfs/dbraw/zinc/47/80/60/607478060.db2.gz TTWPXNZTZFXSEV-DNVCBOLYSA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407583 607478061 /nfs/dbraw/zinc/47/80/61/607478061.db2.gz TTWPXNZTZFXSEV-DNVCBOLYSA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407583 607478062 /nfs/dbraw/zinc/47/80/62/607478062.db2.gz TTWPXNZTZFXSEV-DNVCBOLYSA-N 2 2 395.511 2.144 20 0 GEADLP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccccc1-c1nn[nH]n1 ZINC000826407583 607478064 /nfs/dbraw/zinc/47/80/64/607478064.db2.gz TTWPXNZTZFXSEV-DNVCBOLYSA-N 2 2 395.511 2.144 20 0 GEADLP COc1ccc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1-c1nn[nH]n1 ZINC000821821766 607496895 /nfs/dbraw/zinc/49/68/95/607496895.db2.gz VTUVTFAPPGLJHE-MRXNPFEDSA-N 2 2 394.483 2.023 20 0 GEADLP C[N@H+](C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000821594919 606926343 /nfs/dbraw/zinc/92/63/43/606926343.db2.gz GMZNTQSZCMPIOH-OAQYLSRUSA-N 2 2 392.507 2.497 20 0 GEADLP C[N@@H+](C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000821594919 606926345 /nfs/dbraw/zinc/92/63/45/606926345.db2.gz GMZNTQSZCMPIOH-OAQYLSRUSA-N 2 2 392.507 2.497 20 0 GEADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824991548 608284176 /nfs/dbraw/zinc/28/41/76/608284176.db2.gz CEHFJIUUPZELJD-LIRRHRJNSA-N 2 2 381.459 2.401 20 0 GEADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824991548 608284177 /nfs/dbraw/zinc/28/41/77/608284177.db2.gz CEHFJIUUPZELJD-LIRRHRJNSA-N 2 2 381.459 2.401 20 0 GEADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1-c1nn[nH]n1 ZINC000826349536 608454088 /nfs/dbraw/zinc/45/40/88/608454088.db2.gz LGQZOYVTRNYVLT-UHFFFAOYSA-N 2 2 388.501 2.011 20 0 GEADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1sc(C)c(C)c1-c1nn[nH]n1 ZINC000826349536 608454090 /nfs/dbraw/zinc/45/40/90/608454090.db2.gz LGQZOYVTRNYVLT-UHFFFAOYSA-N 2 2 388.501 2.011 20 0 GEADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)CC1 ZINC000824953521 608638569 /nfs/dbraw/zinc/63/85/69/608638569.db2.gz FDGCTFVZCLYIJS-KRWDZBQOSA-N 2 2 394.527 2.458 20 0 GEADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)CC1 ZINC000824953521 608638571 /nfs/dbraw/zinc/63/85/71/608638571.db2.gz FDGCTFVZCLYIJS-KRWDZBQOSA-N 2 2 394.527 2.458 20 0 GEADLP Cc1n[nH]c(C)c1C[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000826321733 608655404 /nfs/dbraw/zinc/65/54/04/608655404.db2.gz NSTAVSRBRHRTIK-UHFFFAOYSA-N 2 2 389.467 2.077 20 0 GEADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000825937716 609367296 /nfs/dbraw/zinc/36/72/96/609367296.db2.gz IWMSGUSPDYHPOW-UHFFFAOYSA-N 2 2 376.262 2.348 20 0 GEADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000825937716 609367299 /nfs/dbraw/zinc/36/72/99/609367299.db2.gz IWMSGUSPDYHPOW-UHFFFAOYSA-N 2 2 376.262 2.348 20 0 GEADLP CCOc1cc(C[N@H+](C)C2CC[NH+](CCO)CC2)cc(Br)c1O ZINC000459337490 650422919 /nfs/dbraw/zinc/42/29/19/650422919.db2.gz QQPIOLONWGJQQA-UHFFFAOYSA-N 2 2 387.318 2.442 20 0 GEADLP CCOc1cc(C[N@@H+](C)C2CC[NH+](CCO)CC2)cc(Br)c1O ZINC000459337490 650422920 /nfs/dbraw/zinc/42/29/20/650422920.db2.gz QQPIOLONWGJQQA-UHFFFAOYSA-N 2 2 387.318 2.442 20 0 GEADLP CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)s1 ZINC000513090497 650557743 /nfs/dbraw/zinc/55/77/43/650557743.db2.gz UWKLJDDENMYNLX-QWRGUYRKSA-N 2 2 382.559 2.372 20 0 GEADLP COc1c(Br)cccc1C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000479557997 650606561 /nfs/dbraw/zinc/60/65/61/650606561.db2.gz ZMRVCBTXLGMALA-AWEZNQCLSA-N 2 2 384.318 2.135 20 0 GEADLP COc1c(Br)cccc1C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000479557997 650606562 /nfs/dbraw/zinc/60/65/62/650606562.db2.gz ZMRVCBTXLGMALA-AWEZNQCLSA-N 2 2 384.318 2.135 20 0 GEADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000536356215 650800844 /nfs/dbraw/zinc/80/08/44/650800844.db2.gz RTVHOAZRAVDTCE-CQSZACIVSA-N 2 2 385.295 2.289 20 0 GEADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000540183579 650858714 /nfs/dbraw/zinc/85/87/14/650858714.db2.gz RPFINPKWBSRREG-GJZGRUSLSA-N 2 2 385.961 2.245 20 0 GEADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccc(F)cc2Br)CC1 ZINC000540296546 650862602 /nfs/dbraw/zinc/86/26/02/650862602.db2.gz CNODFGMFJSUIBG-UHFFFAOYSA-N 2 2 387.293 2.247 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)NC[C@H]3CCC[N@H+]3C)[nH+]c12 ZINC000543697551 650920364 /nfs/dbraw/zinc/92/03/64/650920364.db2.gz MONQVSGSEWDUDX-OAHLLOKOSA-N 2 2 394.317 2.341 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)NC[C@H]3CCC[N@@H+]3C)[nH+]c12 ZINC000543697551 650920368 /nfs/dbraw/zinc/92/03/68/650920368.db2.gz MONQVSGSEWDUDX-OAHLLOKOSA-N 2 2 394.317 2.341 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000228073724 645394943 /nfs/dbraw/zinc/39/49/43/645394943.db2.gz FIHGDLBFZIGLGN-NEPJUHHUSA-N 2 2 387.265 2.207 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000228073724 645394949 /nfs/dbraw/zinc/39/49/49/645394949.db2.gz FIHGDLBFZIGLGN-NEPJUHHUSA-N 2 2 387.265 2.207 20 0 GEADLP CSC[C@@H]1CCC[NH+]1CCS(=O)(=O)CC[N@H+]1CCC[C@H]1CSC ZINC000247293279 645509390 /nfs/dbraw/zinc/50/93/90/645509390.db2.gz UHFMSGBKOXYUQL-HOTGVXAUSA-N 2 2 380.645 2.056 20 0 GEADLP CSC[C@@H]1CCC[NH+]1CCS(=O)(=O)CC[N@@H+]1CCC[C@H]1CSC ZINC000247293279 645509394 /nfs/dbraw/zinc/50/93/94/645509394.db2.gz UHFMSGBKOXYUQL-HOTGVXAUSA-N 2 2 380.645 2.056 20 0 GEADLP C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261824474 645603910 /nfs/dbraw/zinc/60/39/10/645603910.db2.gz YFZZCMXBRJJXON-XHDPSFHLSA-N 2 2 387.265 2.289 20 0 GEADLP C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261824474 645603918 /nfs/dbraw/zinc/60/39/18/645603918.db2.gz YFZZCMXBRJJXON-XHDPSFHLSA-N 2 2 387.265 2.289 20 0 GEADLP O[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)COc1ccc(Cl)c(Cl)c1 ZINC000325845809 647304105 /nfs/dbraw/zinc/30/41/05/647304105.db2.gz TUPNQMMGHYDJSM-UMVBOHGHSA-N 2 2 375.296 2.186 20 0 GEADLP O[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)COc1ccc(Cl)c(Cl)c1 ZINC000325845809 647304109 /nfs/dbraw/zinc/30/41/09/647304109.db2.gz TUPNQMMGHYDJSM-UMVBOHGHSA-N 2 2 375.296 2.186 20 0 GEADLP C[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)CC[N@@H+]1CCO ZINC000364522522 647631914 /nfs/dbraw/zinc/63/19/14/647631914.db2.gz JZDCCFOTJAWQCW-CQSZACIVSA-N 2 2 385.961 2.139 20 0 GEADLP C[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)CC[N@H+]1CCO ZINC000364522522 647631917 /nfs/dbraw/zinc/63/19/17/647631917.db2.gz JZDCCFOTJAWQCW-CQSZACIVSA-N 2 2 385.961 2.139 20 0 GEADLP O=C(N[C@H]1CCC[NH2+]C1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000418389754 648296033 /nfs/dbraw/zinc/29/60/33/648296033.db2.gz WSDLRIXDVMGITF-ZDUSSCGKSA-N 2 2 396.289 2.202 20 0 GEADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000420367033 648414791 /nfs/dbraw/zinc/41/47/91/648414791.db2.gz RVRMNGSCDVHOOH-CQSZACIVSA-N 2 2 375.332 2.201 20 0 GEADLP Cc1csc(S(=O)(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000420468081 648418718 /nfs/dbraw/zinc/41/87/18/648418718.db2.gz FPMTWQBLGYOKRY-UHFFFAOYSA-N 2 2 379.551 2.328 20 0 GEADLP Cc1ccc(S(=O)(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)s1 ZINC000420472442 648420222 /nfs/dbraw/zinc/42/02/22/648420222.db2.gz SCAFMCDTNFFNFE-UHFFFAOYSA-N 2 2 379.551 2.328 20 0 GEADLP Brc1ccc(N2CC[C@H]([NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000422702818 648573806 /nfs/dbraw/zinc/57/38/06/648573806.db2.gz FZEXUYPMIMMYNX-JQHSSLGASA-N 2 2 380.330 2.384 20 0 GEADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423497268 648592990 /nfs/dbraw/zinc/59/29/90/648592990.db2.gz GIEUFUYFIUKMDT-HZMBPMFUSA-N 2 2 390.347 2.265 20 0 GEADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423497271 648592998 /nfs/dbraw/zinc/59/29/98/648592998.db2.gz GIEUFUYFIUKMDT-YGRLFVJLSA-N 2 2 390.347 2.265 20 0 GEADLP CN(CCOc1ccc(Br)cc1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424340239 648623419 /nfs/dbraw/zinc/62/34/19/648623419.db2.gz XLQZTTFHGFSPES-HZPDHXFCSA-N 2 2 384.318 2.146 20 0 GEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430726479 648766325 /nfs/dbraw/zinc/76/63/25/648766325.db2.gz WGVZJNMWAXAYQA-GVXVVHGQSA-N 2 2 390.347 2.230 20 0 GEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430726479 648766327 /nfs/dbraw/zinc/76/63/27/648766327.db2.gz WGVZJNMWAXAYQA-GVXVVHGQSA-N 2 2 390.347 2.230 20 0 GEADLP O=c1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)nc2ccc(Br)cn12 ZINC000563672171 651536458 /nfs/dbraw/zinc/53/64/58/651536458.db2.gz FFSIQCIESBSFJM-QGZVFWFLSA-N 2 2 377.286 2.033 20 0 GEADLP O=c1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)nc2ccc(Br)cn12 ZINC000563672171 651536459 /nfs/dbraw/zinc/53/64/59/651536459.db2.gz FFSIQCIESBSFJM-QGZVFWFLSA-N 2 2 377.286 2.033 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc(F)c3Br)C2)CC1 ZINC000645407564 651602357 /nfs/dbraw/zinc/60/23/57/651602357.db2.gz FKBKHEPUCVGAAC-GFCCVEGCSA-N 2 2 384.293 2.487 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc(F)c3Br)C2)CC1 ZINC000645407564 651602359 /nfs/dbraw/zinc/60/23/59/651602359.db2.gz FKBKHEPUCVGAAC-GFCCVEGCSA-N 2 2 384.293 2.487 20 0 GEADLP Cc1cc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)ccc1Br ZINC000647985525 651768473 /nfs/dbraw/zinc/76/84/73/651768473.db2.gz RIIINQRMXNHSMX-AWEZNQCLSA-N 2 2 396.329 2.383 20 0 GEADLP Cc1cc(NC(=O)C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)ccc1Br ZINC000647985525 651768477 /nfs/dbraw/zinc/76/84/77/651768477.db2.gz RIIINQRMXNHSMX-AWEZNQCLSA-N 2 2 396.329 2.383 20 0 GEADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1ncc(-c2cccc(Br)c2)o1 ZINC000649409637 651825615 /nfs/dbraw/zinc/82/56/15/651825615.db2.gz GTILTEKWRLIJNL-UHFFFAOYSA-N 2 2 379.302 2.441 20 0 GEADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ncc(-c2cccc(Br)c2)o1 ZINC000649409637 651825622 /nfs/dbraw/zinc/82/56/22/651825622.db2.gz GTILTEKWRLIJNL-UHFFFAOYSA-N 2 2 379.302 2.441 20 0 GEADLP C[C@H](Oc1ccc(Br)cc1)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764275 651971687 /nfs/dbraw/zinc/97/16/87/651971687.db2.gz QIYHECMODLKOCL-AWEZNQCLSA-N 2 2 386.334 2.216 20 0 GEADLP C[C@H](Oc1ccc(Br)cc1)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764275 651971691 /nfs/dbraw/zinc/97/16/91/651971691.db2.gz QIYHECMODLKOCL-AWEZNQCLSA-N 2 2 386.334 2.216 20 0 GEADLP C[C@@H](Oc1ccc(Br)cc1)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768693 651971887 /nfs/dbraw/zinc/97/18/87/651971887.db2.gz QIYHECMODLKOCL-CQSZACIVSA-N 2 2 386.334 2.216 20 0 GEADLP C[C@@H](Oc1ccc(Br)cc1)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768693 651971891 /nfs/dbraw/zinc/97/18/91/651971891.db2.gz QIYHECMODLKOCL-CQSZACIVSA-N 2 2 386.334 2.216 20 0 GEADLP O=C(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Nc1ccc(Br)cc1 ZINC000655700132 652008474 /nfs/dbraw/zinc/00/84/74/652008474.db2.gz DQVYPKRXIOSKQP-MRXNPFEDSA-N 2 2 382.302 2.231 20 0 GEADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000655760551 652010253 /nfs/dbraw/zinc/01/02/53/652010253.db2.gz TUOHSFRKURBTJF-QGZVFWFLSA-N 2 2 379.302 2.099 20 0 GEADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000655760551 652010261 /nfs/dbraw/zinc/01/02/61/652010261.db2.gz TUOHSFRKURBTJF-QGZVFWFLSA-N 2 2 379.302 2.099 20 0 GEADLP CS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1Cl ZINC000655759041 652010585 /nfs/dbraw/zinc/01/05/85/652010585.db2.gz INUDWQJDAHCITE-INIZCTEOSA-N 2 2 386.945 2.477 20 0 GEADLP [NH3+]C[C@H]1CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCCO1 ZINC000574275999 652013078 /nfs/dbraw/zinc/01/30/78/652013078.db2.gz AOJUSJKCICTKNE-DLBZAZTESA-N 2 2 396.329 2.162 20 0 GEADLP O[C@@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)COc1cc(F)cc(Br)c1 ZINC000578880656 652301283 /nfs/dbraw/zinc/30/12/83/652301283.db2.gz KCXDMASRHMYKOK-KBPBESRZSA-N 2 2 384.249 2.129 20 0 GEADLP Brc1cc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc2c1OCCO2 ZINC000579342610 652332482 /nfs/dbraw/zinc/33/24/82/652332482.db2.gz WVOCJFYGBKVZPP-HZPDHXFCSA-N 2 2 383.286 2.077 20 0 GEADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579959132 652361618 /nfs/dbraw/zinc/36/16/18/652361618.db2.gz ZTBJEWLXOREULJ-SFHVURJKSA-N 2 2 380.330 2.483 20 0 GEADLP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579959132 652361622 /nfs/dbraw/zinc/36/16/22/652361622.db2.gz ZTBJEWLXOREULJ-SFHVURJKSA-N 2 2 380.330 2.483 20 0 GEADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000582308978 652444946 /nfs/dbraw/zinc/44/49/46/652444946.db2.gz FOOXVAGQIBJDCK-SWLSCSKDSA-N 2 2 380.286 2.012 20 0 GEADLP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000582308978 652444949 /nfs/dbraw/zinc/44/49/49/652444949.db2.gz FOOXVAGQIBJDCK-SWLSCSKDSA-N 2 2 380.286 2.012 20 0 GEADLP O=C(C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl)NC1CC[NH+](C2CC2)CC1 ZINC000662057258 652446693 /nfs/dbraw/zinc/44/66/93/652446693.db2.gz XGLYVMPMVADQBK-INIZCTEOSA-N 2 2 386.323 2.359 20 0 GEADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@H]([NH3+])c2ccccc2Br)C[C@H](C)O1 ZINC000662364376 652457588 /nfs/dbraw/zinc/45/75/88/652457588.db2.gz HXUNQWOVQHUABD-DVOMOZLQSA-N 2 2 398.345 2.453 20 0 GEADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@H]([NH3+])c2ccccc2Br)C[C@H](C)O1 ZINC000662364376 652457590 /nfs/dbraw/zinc/45/75/90/652457590.db2.gz HXUNQWOVQHUABD-DVOMOZLQSA-N 2 2 398.345 2.453 20 0 GEADLP [NH3+]C[C@H]1C[N@H+](CC(=O)Nc2ccc(Br)cc2)CC12CCOCC2 ZINC000582846339 652463847 /nfs/dbraw/zinc/46/38/47/652463847.db2.gz JEDQGQLYMSIMBI-ZDUSSCGKSA-N 2 2 382.302 2.075 20 0 GEADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cc2)CC12CCOCC2 ZINC000582846339 652463849 /nfs/dbraw/zinc/46/38/49/652463849.db2.gz JEDQGQLYMSIMBI-ZDUSSCGKSA-N 2 2 382.302 2.075 20 0 GEADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(Br)c3c(c2)OCCO3)CC12CCOCC2 ZINC000582965835 652468739 /nfs/dbraw/zinc/46/87/39/652468739.db2.gz XWSURGMZTBJQJB-CQSZACIVSA-N 2 2 397.313 2.408 20 0 GEADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Br)c3c(c2)OCCO3)CC12CCOCC2 ZINC000582965835 652468741 /nfs/dbraw/zinc/46/87/41/652468741.db2.gz XWSURGMZTBJQJB-CQSZACIVSA-N 2 2 397.313 2.408 20 0 GEADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2cscc2Br)CC1 ZINC000583211693 652477519 /nfs/dbraw/zinc/47/75/19/652477519.db2.gz CVQQVMCMTIOZMW-UHFFFAOYSA-N 2 2 375.332 2.170 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3scnc3Br)CC2)CC1 ZINC000757938369 652526201 /nfs/dbraw/zinc/52/62/01/652526201.db2.gz FZBNQIBGDTVWAS-UHFFFAOYSA-N 2 2 387.347 2.194 20 0 GEADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888254 652538085 /nfs/dbraw/zinc/53/80/85/652538085.db2.gz XQQSYOPCKLYVCI-YOEHRIQHSA-N 2 2 380.330 2.481 20 0 GEADLP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888254 652538092 /nfs/dbraw/zinc/53/80/92/652538092.db2.gz XQQSYOPCKLYVCI-YOEHRIQHSA-N 2 2 380.330 2.481 20 0 GEADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)n1 ZINC000665292458 652550468 /nfs/dbraw/zinc/55/04/68/652550468.db2.gz AJHGZWWDWCRWMN-PBHICJAKSA-N 2 2 393.285 2.413 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3ccc(Br)cc3F)C2)CC1 ZINC000668640273 652655219 /nfs/dbraw/zinc/65/52/19/652655219.db2.gz QRIQGZZGRHRMEI-OAHLLOKOSA-N 2 2 398.320 2.415 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3ccc(Br)cc3F)C2)CC1 ZINC000668640273 652655226 /nfs/dbraw/zinc/65/52/26/652655226.db2.gz QRIQGZZGRHRMEI-OAHLLOKOSA-N 2 2 398.320 2.415 20 0 GEADLP Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(CC[NH+]3CCOCC3)C1)CC2 ZINC000669847326 652722584 /nfs/dbraw/zinc/72/25/84/652722584.db2.gz LBNHEBCHRPQAHQ-MJGOQNOKSA-N 2 2 394.357 2.433 20 0 GEADLP C[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000764463887 652801422 /nfs/dbraw/zinc/80/14/22/652801422.db2.gz AGCBOGQBGACMFH-ATZDWAIDSA-N 2 2 396.373 2.440 20 0 GEADLP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000764463887 652801424 /nfs/dbraw/zinc/80/14/24/652801424.db2.gz AGCBOGQBGACMFH-ATZDWAIDSA-N 2 2 396.373 2.440 20 0 GEADLP COc1nsc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c1Br ZINC000638063109 652883140 /nfs/dbraw/zinc/88/31/40/652883140.db2.gz ZYZHSOZZJHPACG-UHFFFAOYSA-N 2 2 378.336 2.457 20 0 GEADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000678081575 653125949 /nfs/dbraw/zinc/12/59/49/653125949.db2.gz VYDWFXDRJQIIQY-QGZVFWFLSA-N 2 2 396.329 2.242 20 0 GEADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000678081575 653125956 /nfs/dbraw/zinc/12/59/56/653125956.db2.gz VYDWFXDRJQIIQY-QGZVFWFLSA-N 2 2 396.329 2.242 20 0 GEADLP CC1CC[NH+]([C@H](CNS(=O)(=O)CCn2cc[nH+]c2)c2cccs2)CC1 ZINC000641255714 653173056 /nfs/dbraw/zinc/17/30/56/653173056.db2.gz IXTGEXZQZKEAEI-MRXNPFEDSA-N 2 2 382.555 2.337 20 0 GEADLP C[C@H]([NH3+])CCNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000857109676 653284280 /nfs/dbraw/zinc/28/42/80/653284280.db2.gz YFPASEVNOBCGLO-LBPRGKRZSA-N 2 2 384.278 2.188 20 0 GEADLP Cn1cc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(Br)n1 ZINC000858088487 653348012 /nfs/dbraw/zinc/34/80/12/653348012.db2.gz HAGOBDBRNCNOAK-UHFFFAOYSA-N 2 2 379.302 2.305 20 0 GEADLP Cn1cc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c(Br)n1 ZINC000858152737 653351196 /nfs/dbraw/zinc/35/11/96/653351196.db2.gz AYYGOTATZIENRN-CQSZACIVSA-N 2 2 379.306 2.330 20 0 GEADLP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000877989801 653625476 /nfs/dbraw/zinc/62/54/76/653625476.db2.gz FKGKDMNDMPTWSM-WMZOPIPTSA-N 2 2 386.323 2.094 20 0 GEADLP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000877989801 653625479 /nfs/dbraw/zinc/62/54/79/653625479.db2.gz FKGKDMNDMPTWSM-WMZOPIPTSA-N 2 2 386.323 2.094 20 0 GEADLP CN(C(=O)NC[C@@]1(C)CC1(Cl)Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000838662590 653627363 /nfs/dbraw/zinc/62/73/63/653627363.db2.gz FIEKESVONRDXFZ-GDBMZVCRSA-N 2 2 377.360 2.380 20 0 GEADLP CN(C(=O)NC[C@@]1(C)CC1(Cl)Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000838662590 653627366 /nfs/dbraw/zinc/62/73/66/653627366.db2.gz FIEKESVONRDXFZ-GDBMZVCRSA-N 2 2 377.360 2.380 20 0 GEADLP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCO[C@@H](c3ccccc3Br)C2)C1 ZINC000841022474 653705269 /nfs/dbraw/zinc/70/52/69/653705269.db2.gz NMKQCGRZKDHGEO-RHSMWYFYSA-N 2 2 396.329 2.020 20 0 GEADLP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCO[C@@H](c3ccccc3Br)C2)C1 ZINC000841022474 653705271 /nfs/dbraw/zinc/70/52/71/653705271.db2.gz NMKQCGRZKDHGEO-RHSMWYFYSA-N 2 2 396.329 2.020 20 0 GEADLP C[C@@H](C[NH3+])[NH2+]Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000841066872 653705821 /nfs/dbraw/zinc/70/58/21/653705821.db2.gz QDPSCLDEKQKDRP-JTQLQIEISA-N 2 2 381.361 2.023 20 0 GEADLP Cn1nc(Br)cc1C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000785423705 653709154 /nfs/dbraw/zinc/70/91/54/653709154.db2.gz PDQCSPVFHDRMGB-UHFFFAOYSA-N 2 2 392.345 2.220 20 0 GEADLP Cn1nc(Br)cc1C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000785423705 653709159 /nfs/dbraw/zinc/70/91/59/653709159.db2.gz PDQCSPVFHDRMGB-UHFFFAOYSA-N 2 2 392.345 2.220 20 0 GEADLP C[N@H+](C[C@H](O)CNc1ccc(N2CC[NH+](C)CC2)c(Br)c1)C1CC1 ZINC000819474803 653751267 /nfs/dbraw/zinc/75/12/67/653751267.db2.gz DZKASEHZXSZVKF-MRXNPFEDSA-N 2 2 397.361 2.068 20 0 GEADLP C[N@@H+](C[C@H](O)CNc1ccc(N2CC[NH+](C)CC2)c(Br)c1)C1CC1 ZINC000819474803 653751268 /nfs/dbraw/zinc/75/12/68/653751268.db2.gz DZKASEHZXSZVKF-MRXNPFEDSA-N 2 2 397.361 2.068 20 0 GEADLP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCS(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000842478817 653757800 /nfs/dbraw/zinc/75/78/00/653757800.db2.gz KUOVZWFMSSFFMV-FUHWJXTLSA-N 2 2 386.945 2.332 20 0 GEADLP CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000895294356 653826651 /nfs/dbraw/zinc/82/66/51/653826651.db2.gz UPPOSHJFJHLVBW-STQMWFEESA-N 2 2 386.334 2.392 20 0 GEADLP CC(C)OCC[NH+]1CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884225361 653868722 /nfs/dbraw/zinc/86/87/22/653868722.db2.gz PPWYJCPPCLYSEQ-INIZCTEOSA-N 2 2 384.318 2.018 20 0 GEADLP C[C@H](CNC(=O)[C@H]([NH3+])c1cccc(Br)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000867984232 654013055 /nfs/dbraw/zinc/01/30/55/654013055.db2.gz VNHXJOZRCWHNRE-NFFDBFGFSA-N 2 2 384.318 2.063 20 0 GEADLP C[C@H](CNC(=O)[C@H]([NH3+])c1cccc(Br)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000867984232 654013057 /nfs/dbraw/zinc/01/30/57/654013057.db2.gz VNHXJOZRCWHNRE-NFFDBFGFSA-N 2 2 384.318 2.063 20 0 GEADLP O=C1Nc2ncc(Br)cc2C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903326807 654234854 /nfs/dbraw/zinc/23/48/54/654234854.db2.gz TVSXUVJGFWSTPT-WDVRLDOZSA-N 2 2 391.313 2.455 20 0 GEADLP O=C1Nc2ncc(Br)cc2C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903326807 654234859 /nfs/dbraw/zinc/23/48/59/654234859.db2.gz TVSXUVJGFWSTPT-WDVRLDOZSA-N 2 2 391.313 2.455 20 0 GEADLP [NH3+]CC1(O)CC[NH+](Cc2cc(Br)ccc2Br)CC1 ZINC000904372481 654308456 /nfs/dbraw/zinc/30/84/56/654308456.db2.gz CMYCFPHCYKAWGP-UHFFFAOYSA-N 2 2 378.108 2.497 20 0 GEADLP Oc1cc(Br)cnc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000891853301 654315261 /nfs/dbraw/zinc/31/52/61/654315261.db2.gz IEEUPDYJEIGECH-UHFFFAOYSA-N 2 2 384.318 2.484 20 0 GEADLP Cn1ncc(I)c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000873277944 654423697 /nfs/dbraw/zinc/42/36/97/654423697.db2.gz XTIWMWRGJSLJKJ-KWCYVHTRSA-N 2 2 388.297 2.425 20 0 GEADLP Cn1ncc(I)c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000873277943 654423704 /nfs/dbraw/zinc/42/37/04/654423704.db2.gz XTIWMWRGJSLJKJ-IACUBPJLSA-N 2 2 388.297 2.425 20 0 GEADLP Cn1ncc(I)c1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000893970082 654435164 /nfs/dbraw/zinc/43/51/64/654435164.db2.gz ZECZCOHSDHGNLK-UHFFFAOYSA-N 2 2 376.286 2.188 20 0 GEADLP CC[C@@H](c1ccc(Br)cc1)N1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923324319 654444126 /nfs/dbraw/zinc/44/41/26/654444126.db2.gz STZJHGATLOFUTR-XSLAGTTESA-N 2 2 382.346 2.368 20 0 GEADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC[S@](=O)C(F)(F)F)C2)ccn1 ZINC000931094215 654729409 /nfs/dbraw/zinc/72/94/09/654729409.db2.gz OZIDYOJRRZPINO-MQNRADLISA-N 2 2 379.448 2.255 20 0 GEADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC[S@](=O)C(F)(F)F)C2)ccn1 ZINC000931094215 654729412 /nfs/dbraw/zinc/72/94/12/654729412.db2.gz OZIDYOJRRZPINO-MQNRADLISA-N 2 2 379.448 2.255 20 0 GEADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC[S@](=O)C(F)(F)F)C2)ccn1 ZINC000931094215 654729414 /nfs/dbraw/zinc/72/94/14/654729414.db2.gz OZIDYOJRRZPINO-MQNRADLISA-N 2 2 379.448 2.255 20 0 GEADLP C[NH+]1CCN(c2cccc(N3CC[C@@]4(C[NH2+]C[C@H]4c4ccccc4)C3)[nH+]2)CC1 ZINC001164626473 719046770 /nfs/dbraw/zinc/04/67/70/719046770.db2.gz RMEPQQPGCRWEAY-NZQKXSOJSA-N 3 2 377.536 2.417 20 0 GEADLP Cc1c[nH+]c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1NC1CC1 ZINC001164817630 720286279 /nfs/dbraw/zinc/28/62/79/720286279.db2.gz FLLWTIJICGTCFU-RTBURBONSA-N 2 2 398.555 2.271 20 0 GEADLP Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3c3cccc(N4CC[NH+](C)CC4)[nH+]3)O2)n1 ZINC001164830087 720407068 /nfs/dbraw/zinc/40/70/68/720407068.db2.gz PRZUVHGXNQDFNC-BBWFWOEESA-N 2 2 384.484 2.024 20 0 GEADLP CCN(C)c1cc(C)[nH+]c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867928 721040519 /nfs/dbraw/zinc/04/05/19/721040519.db2.gz KZEKFYXGZGUYJB-RBUKOAKNSA-N 2 2 382.512 2.116 20 0 GEADLP CCN(C)c1cc(C)[nH+]c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867928 721040529 /nfs/dbraw/zinc/04/05/29/721040529.db2.gz KZEKFYXGZGUYJB-RBUKOAKNSA-N 2 2 382.512 2.116 20 0 GEADLP Cc1c[nH+]c(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1NCC1CC1 ZINC001164761657 721070549 /nfs/dbraw/zinc/07/05/49/721070549.db2.gz CKDZGYKPFTZINJ-RTBURBONSA-N 2 2 381.528 2.299 20 0 GEADLP Cc1c[nH+]c(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1NCC1CC1 ZINC001164761657 721070555 /nfs/dbraw/zinc/07/05/55/721070555.db2.gz CKDZGYKPFTZINJ-RTBURBONSA-N 2 2 381.528 2.299 20 0 GEADLP c1cncc(CO[C@@H]2C[C@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164872259 721137727 /nfs/dbraw/zinc/13/77/27/721137727.db2.gz HFNAFRIWVPOBPG-VQTJNVASSA-N 2 2 394.523 2.342 20 0 GEADLP c1cncc(CO[C@@H]2C[C@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[N@H+]3C2)c1 ZINC001164872259 721137730 /nfs/dbraw/zinc/13/77/30/721137730.db2.gz HFNAFRIWVPOBPG-VQTJNVASSA-N 2 2 394.523 2.342 20 0 GEADLP Cc1cc2c(nc[nH+]c2N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)[nH]1 ZINC001164883686 721400293 /nfs/dbraw/zinc/40/02/93/721400293.db2.gz BWLYUHVLRRJNGF-DYESRHJHSA-N 2 2 384.528 2.032 20 0 GEADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2[nH+][nH]c(Cl)c3ncnc2-3)[C@@H]2CCCO[C@H]12 ZINC001164804017 721564463 /nfs/dbraw/zinc/56/44/63/721564463.db2.gz KRIRLHSIKMXSME-CPUCHLNUSA-N 2 2 399.886 2.270 20 0 GEADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2[nH+][nH]c(Cl)c3ncnc2-3)[C@@H]2CCCO[C@H]12 ZINC001164804017 721564467 /nfs/dbraw/zinc/56/44/67/721564467.db2.gz KRIRLHSIKMXSME-CPUCHLNUSA-N 2 2 399.886 2.270 20 0 GEADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981514 722135545 /nfs/dbraw/zinc/13/55/45/722135545.db2.gz PGAUJSWIFVTMIC-PMACEKPBSA-N 2 2 395.507 2.471 20 0 GEADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981514 722135548 /nfs/dbraw/zinc/13/55/48/722135548.db2.gz PGAUJSWIFVTMIC-PMACEKPBSA-N 2 2 395.507 2.471 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044529222 531682996 /nfs/dbraw/zinc/68/29/96/531682996.db2.gz WLBIHJBMNGJRQO-GFCCVEGCSA-N 2 2 387.265 2.209 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044529222 531683003 /nfs/dbraw/zinc/68/30/03/531683003.db2.gz WLBIHJBMNGJRQO-GFCCVEGCSA-N 2 2 387.265 2.209 20 0 GEADLP Cc1[nH+]ccn1CCCNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000057342478 531819398 /nfs/dbraw/zinc/81/93/98/531819398.db2.gz NKLBKVBDGIMFAB-UHFFFAOYSA-N 2 2 391.273 2.491 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000122421378 532070368 /nfs/dbraw/zinc/07/03/68/532070368.db2.gz IXFNQAUYBOEJEV-UHFFFAOYSA-N 2 2 389.281 2.455 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000122421378 532070372 /nfs/dbraw/zinc/07/03/72/532070372.db2.gz IXFNQAUYBOEJEV-UHFFFAOYSA-N 2 2 389.281 2.455 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000129166606 532174453 /nfs/dbraw/zinc/17/44/53/532174453.db2.gz BGDHDWMDQTUNEB-WCQYABFASA-N 2 2 387.265 2.350 20 0 GEADLP Cc1cc(I)ccc1NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000129166606 532174455 /nfs/dbraw/zinc/17/44/55/532174455.db2.gz BGDHDWMDQTUNEB-WCQYABFASA-N 2 2 387.265 2.350 20 0 GEADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccnc3Br)CC2)CC1 ZINC000135196922 532268839 /nfs/dbraw/zinc/26/88/39/532268839.db2.gz XPCICALQJIXBOF-UHFFFAOYSA-N 2 2 381.318 2.133 20 0 GEADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1Br ZINC000181034637 532289374 /nfs/dbraw/zinc/28/93/74/532289374.db2.gz VVXSMFKIMZPZIM-HUUCEWRRSA-N 2 2 396.329 2.033 20 0 GEADLP C[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000181034501 532289453 /nfs/dbraw/zinc/28/94/53/532289453.db2.gz CZNNXXSPBRMSGU-YOEHRIQHSA-N 2 2 396.329 2.033 20 0 GEADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000647530027 532375238 /nfs/dbraw/zinc/37/52/38/532375238.db2.gz FGDGARPLUSCLLG-KGLIPLIRSA-N 2 2 377.312 2.170 20 0 GEADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000647530027 532375243 /nfs/dbraw/zinc/37/52/43/532375243.db2.gz FGDGARPLUSCLLG-KGLIPLIRSA-N 2 2 377.312 2.170 20 0 GEADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000647529353 532375279 /nfs/dbraw/zinc/37/52/79/532375279.db2.gz MOTQXMCKMAQGGD-KBPBESRZSA-N 2 2 377.312 2.170 20 0 GEADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000647529353 532375284 /nfs/dbraw/zinc/37/52/84/532375284.db2.gz MOTQXMCKMAQGGD-KBPBESRZSA-N 2 2 377.312 2.170 20 0 GEADLP Cc1cc(S(=O)(=O)N2CC[NH+](CCCC3CC[NH2+]CC3)CC2)c(C)s1 ZINC000647882599 532382910 /nfs/dbraw/zinc/38/29/10/532382910.db2.gz BANXBEIHTPLAHW-UHFFFAOYSA-N 2 2 385.599 2.451 20 0 GEADLP COc1cc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc(I)c1OC ZINC000591281575 532404479 /nfs/dbraw/zinc/40/44/79/532404479.db2.gz BBSHQAQWYFCUDL-QWRGUYRKSA-N 2 2 394.228 2.098 20 0 GEADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)C[C@@H](C)O1 ZINC000517231328 532410373 /nfs/dbraw/zinc/41/03/73/532410373.db2.gz AEJNDHQULKYDTD-XNJGSVPQSA-N 2 2 396.329 2.490 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)NCCC[NH+](C)C)[nH+]c12 ZINC000680494999 532414352 /nfs/dbraw/zinc/41/43/52/532414352.db2.gz OGBKXXBOUJPNBS-UHFFFAOYSA-N 2 2 382.306 2.199 20 0 GEADLP C[NH+](C)CCN1CC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1=O ZINC000649686496 532422599 /nfs/dbraw/zinc/42/25/99/532422599.db2.gz JVUSZKXPUJFJEO-UHFFFAOYSA-N 2 2 387.311 2.028 20 0 GEADLP C[NH+](C)CCN1CC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1=O ZINC000649686496 532422605 /nfs/dbraw/zinc/42/26/05/532422605.db2.gz JVUSZKXPUJFJEO-UHFFFAOYSA-N 2 2 387.311 2.028 20 0 GEADLP O=S(=O)(NCCC[NH2+]Cc1cccc2[nH+]ccn21)c1ccccc1Cl ZINC000466382793 532426327 /nfs/dbraw/zinc/42/63/27/532426327.db2.gz ZDPTYMAOOBLOCW-UHFFFAOYSA-N 2 2 378.885 2.446 20 0 GEADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cncc(Br)c3)[nH+]c2)C1 ZINC000466459423 532428852 /nfs/dbraw/zinc/42/88/52/532428852.db2.gz XPYHOAVARORMEZ-INIZCTEOSA-N 2 2 376.302 2.992 20 0 GEADLP Cc1cc(Br)cn2c(C[NH2+]CC3(OCCO)CCOCC3)c[nH+]c12 ZINC000282630109 532484264 /nfs/dbraw/zinc/48/42/64/532484264.db2.gz JPBWSYHEOURANP-UHFFFAOYSA-N 2 2 398.301 2.053 20 0 GEADLP Cc1c([C@H](C)[NH2+]CC2([NH3+])CCOCC2)nnn1-c1cccc(Br)c1 ZINC000629521967 532495128 /nfs/dbraw/zinc/49/51/28/532495128.db2.gz UDZDXLFEMBIVPT-LBPRGKRZSA-N 2 2 394.317 2.497 20 0 GEADLP C[C@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000469485746 532502985 /nfs/dbraw/zinc/50/29/85/532502985.db2.gz KKEDEJWBZGCVTN-CYBMUJFWSA-N 2 2 384.318 2.418 20 0 GEADLP C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000469485747 532504035 /nfs/dbraw/zinc/50/40/35/532504035.db2.gz KKEDEJWBZGCVTN-ZDUSSCGKSA-N 2 2 384.318 2.418 20 0 GEADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](CC(=O)Nc3ccc(Cl)cc3Cl)C2)nn1 ZINC000521846074 532519053 /nfs/dbraw/zinc/51/90/53/532519053.db2.gz GWGODTRVIIZTQF-ZDUSSCGKSA-N 2 2 383.283 2.319 20 0 GEADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(Cl)cc3Cl)C2)nn1 ZINC000521846074 532519060 /nfs/dbraw/zinc/51/90/60/532519060.db2.gz GWGODTRVIIZTQF-ZDUSSCGKSA-N 2 2 383.283 2.319 20 0 GEADLP COCCOc1c(Cl)cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1Cl ZINC000521406690 532513036 /nfs/dbraw/zinc/51/30/36/532513036.db2.gz KCVPBDVNFGCCHT-GFCCVEGCSA-N 2 2 391.299 2.125 20 0 GEADLP COCCOc1c(Cl)cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1Cl ZINC000521406690 532513040 /nfs/dbraw/zinc/51/30/40/532513040.db2.gz KCVPBDVNFGCCHT-GFCCVEGCSA-N 2 2 391.299 2.125 20 0 GEADLP CCCOc1ccc(Br)cc1C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629654824 532498978 /nfs/dbraw/zinc/49/89/78/532498978.db2.gz GGARTUIDFSRRSJ-UHFFFAOYSA-N 2 2 381.274 2.482 20 0 GEADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3nc4ccccn4c3Br)C2)CC1 ZINC000284273695 532583232 /nfs/dbraw/zinc/58/32/32/532583232.db2.gz SPDDGZYFDZTCJW-OAHLLOKOSA-N 2 2 392.345 2.309 20 0 GEADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nc4ccccn4c3Br)C2)CC1 ZINC000284273695 532583240 /nfs/dbraw/zinc/58/32/40/532583240.db2.gz SPDDGZYFDZTCJW-OAHLLOKOSA-N 2 2 392.345 2.309 20 0 GEADLP Clc1ccc(-n2cc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)nn2)cc1Cl ZINC000262188799 532587176 /nfs/dbraw/zinc/58/71/76/532587176.db2.gz YAIZUSCAXJQWMM-OAHLLOKOSA-N 2 2 381.311 2.054 20 0 GEADLP Clc1ccc(-n2cc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)nn2)cc1Cl ZINC000262188799 532587181 /nfs/dbraw/zinc/58/71/81/532587181.db2.gz YAIZUSCAXJQWMM-OAHLLOKOSA-N 2 2 381.311 2.054 20 0 GEADLP CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000567068225 532638468 /nfs/dbraw/zinc/63/84/68/532638468.db2.gz XFOVVWOGPCNVDO-OAHLLOKOSA-N 2 2 380.330 2.360 20 0 GEADLP CC[C@@H]1Cc2c(Br)cccc2C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000567068225 532638472 /nfs/dbraw/zinc/63/84/72/532638472.db2.gz XFOVVWOGPCNVDO-OAHLLOKOSA-N 2 2 380.330 2.360 20 0 GEADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(S(N)(=O)=O)c(Br)c2)CC[N@@H+]1C ZINC000638115426 532681171 /nfs/dbraw/zinc/68/11/71/532681171.db2.gz BZBKKHSVVAKUKW-WCQYABFASA-N 2 2 390.347 2.011 20 0 GEADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(S(N)(=O)=O)c(Br)c2)CC[N@H+]1C ZINC000638115426 532681172 /nfs/dbraw/zinc/68/11/72/532681172.db2.gz BZBKKHSVVAKUKW-WCQYABFASA-N 2 2 390.347 2.011 20 0 GEADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(S(N)(=O)=O)c(Br)c2)CC[NH+]1C ZINC000638115426 532681173 /nfs/dbraw/zinc/68/11/73/532681173.db2.gz BZBKKHSVVAKUKW-WCQYABFASA-N 2 2 390.347 2.011 20 0 GEADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(S(N)(=O)=O)c(Br)c2)CC[NH+]1C ZINC000638115426 532681174 /nfs/dbraw/zinc/68/11/74/532681174.db2.gz BZBKKHSVVAKUKW-WCQYABFASA-N 2 2 390.347 2.011 20 0 GEADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3cn4cc(Br)ccc4[nH+]3)[C@H]2C1 ZINC000497388887 532722825 /nfs/dbraw/zinc/72/28/25/532722825.db2.gz OCXHLHPJTRWXLO-DOMZBBRYSA-N 2 2 392.301 2.332 20 0 GEADLP C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3cn4cc(Br)ccc4[nH+]3)[C@H]2C1 ZINC000497388887 532722829 /nfs/dbraw/zinc/72/28/29/532722829.db2.gz OCXHLHPJTRWXLO-DOMZBBRYSA-N 2 2 392.301 2.332 20 0 GEADLP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000578508146 532737480 /nfs/dbraw/zinc/73/74/80/532737480.db2.gz YYFPSMXKEQVBIX-CQSZACIVSA-N 2 2 396.329 2.383 20 0 GEADLP Cc1cc(Br)ccc1NC(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000578508146 532737484 /nfs/dbraw/zinc/73/74/84/532737484.db2.gz YYFPSMXKEQVBIX-CQSZACIVSA-N 2 2 396.329 2.383 20 0 GEADLP CN(C[C@H](O)C[NH+]1CCOCC1)c1cc[nH+]c2ccc(Br)cc21 ZINC000301573141 532754280 /nfs/dbraw/zinc/75/42/80/532754280.db2.gz MWNUAHNBDRZTOH-AWEZNQCLSA-N 2 2 380.286 2.127 20 0 GEADLP Nc1nc(-n2cccn2)cc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)[nH+]1 ZINC000301648119 532756856 /nfs/dbraw/zinc/75/68/56/532756856.db2.gz QKUKHRDUCGDZSM-UHFFFAOYSA-N 2 2 375.889 2.282 20 0 GEADLP CC[C@H](CO)[NH+]1CCN(Cc2c[nH+]c3c(C)cc(Br)cn23)CC1 ZINC000544348591 532781662 /nfs/dbraw/zinc/78/16/62/532781662.db2.gz IVNUGKFJPHTBIE-OAHLLOKOSA-N 2 2 381.318 2.294 20 0 GEADLP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415030593 532836728 /nfs/dbraw/zinc/83/67/28/532836728.db2.gz FDBMVYQNZVTWES-VIKVFOODSA-N 2 2 383.286 2.007 20 0 GEADLP Brc1ccccc1C[NH+]1CCC(NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000415051580 532837141 /nfs/dbraw/zinc/83/71/41/532837141.db2.gz ZYQBSXYZZXQULF-KRWDZBQOSA-N 2 2 382.346 2.382 20 0 GEADLP COc1ccc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1Br ZINC000415134270 532838629 /nfs/dbraw/zinc/83/86/29/532838629.db2.gz VWKFCVKVSMCFDF-AWEZNQCLSA-N 2 2 380.290 2.345 20 0 GEADLP COc1ccc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1Br ZINC000415134270 532838633 /nfs/dbraw/zinc/83/86/33/532838633.db2.gz VWKFCVKVSMCFDF-AWEZNQCLSA-N 2 2 380.290 2.345 20 0 GEADLP O=C1N[C@@H]2C[N@H+](Cc3ccc(Br)cc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415132547 532838846 /nfs/dbraw/zinc/83/88/46/532838846.db2.gz BAQLYLANKJYTGU-IAGOWNOFSA-N 2 2 393.329 2.169 20 0 GEADLP O=C1N[C@@H]2C[N@@H+](Cc3ccc(Br)cc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415132547 532838847 /nfs/dbraw/zinc/83/88/47/532838847.db2.gz BAQLYLANKJYTGU-IAGOWNOFSA-N 2 2 393.329 2.169 20 0 GEADLP O=C1N[C@@H]2C[N@H+](Cc3csc(Br)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415134826 532838967 /nfs/dbraw/zinc/83/89/67/532838967.db2.gz FBXUCVZOHZIEHG-ZIAGYGMSSA-N 2 2 399.358 2.231 20 0 GEADLP O=C1N[C@@H]2C[N@@H+](Cc3csc(Br)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415134826 532838969 /nfs/dbraw/zinc/83/89/69/532838969.db2.gz FBXUCVZOHZIEHG-ZIAGYGMSSA-N 2 2 399.358 2.231 20 0 GEADLP COc1ccc(Br)cc1C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000359994451 212130672 /nfs/dbraw/zinc/13/06/72/212130672.db2.gz BOZZAQKRXNHJSS-UHFFFAOYSA-N 2 2 399.329 2.117 20 0 GEADLP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1nc2ccccn2c1Br ZINC000289556983 532858732 /nfs/dbraw/zinc/85/87/32/532858732.db2.gz GOLHDHFAMTYCNT-AWEZNQCLSA-N 2 2 380.334 2.212 20 0 GEADLP Cc1nn(C)c(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1Br ZINC000333356245 532867492 /nfs/dbraw/zinc/86/74/92/532867492.db2.gz WSEKGEZGBLCGDM-GDBMZVCRSA-N 2 2 385.350 2.349 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3C[C@H]4CC[N@@H+](C)[C@H]4C3)[nH+]c12 ZINC000333568645 532871171 /nfs/dbraw/zinc/87/11/71/532871171.db2.gz IDJFXMCCQSKHEK-DOMZBBRYSA-N 2 2 392.301 2.251 20 0 GEADLP Cc1cc(Br)cn2cc(CNC(=O)N3C[C@H]4CC[N@H+](C)[C@H]4C3)[nH+]c12 ZINC000333568645 532871173 /nfs/dbraw/zinc/87/11/73/532871173.db2.gz IDJFXMCCQSKHEK-DOMZBBRYSA-N 2 2 392.301 2.251 20 0 GEADLP CCc1n[nH]c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1Br ZINC000363743011 532900481 /nfs/dbraw/zinc/90/04/81/532900481.db2.gz ALXZJKKTIKCNJH-UHFFFAOYSA-N 2 2 398.349 2.023 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)COc3cccc(Br)c3)C2)CC1 ZINC000364209855 532904671 /nfs/dbraw/zinc/90/46/71/532904671.db2.gz XTVQQAQVXVIREZ-OAHLLOKOSA-N 2 2 396.329 2.113 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)COc3cccc(Br)c3)C2)CC1 ZINC000364209855 532904674 /nfs/dbraw/zinc/90/46/74/532904674.db2.gz XTVQQAQVXVIREZ-OAHLLOKOSA-N 2 2 396.329 2.113 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)COc3cccc(Br)c3)C2)CC1 ZINC000364209854 532904861 /nfs/dbraw/zinc/90/48/61/532904861.db2.gz XTVQQAQVXVIREZ-HNNXBMFYSA-N 2 2 396.329 2.113 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)COc3cccc(Br)c3)C2)CC1 ZINC000364209854 532904862 /nfs/dbraw/zinc/90/48/62/532904862.db2.gz XTVQQAQVXVIREZ-HNNXBMFYSA-N 2 2 396.329 2.113 20 0 GEADLP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292096420 532912866 /nfs/dbraw/zinc/91/28/66/532912866.db2.gz HIPUHYSFOOMCSD-INIZCTEOSA-N 2 2 386.359 2.497 20 0 GEADLP CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292096420 532912868 /nfs/dbraw/zinc/91/28/68/532912868.db2.gz HIPUHYSFOOMCSD-INIZCTEOSA-N 2 2 386.359 2.497 20 0 GEADLP CN(Cc1cc(Br)cs1)C(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292096420 532912870 /nfs/dbraw/zinc/91/28/70/532912870.db2.gz HIPUHYSFOOMCSD-INIZCTEOSA-N 2 2 386.359 2.497 20 0 GEADLP CN(Cc1cc(Br)cs1)C(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292096420 532912872 /nfs/dbraw/zinc/91/28/72/532912872.db2.gz HIPUHYSFOOMCSD-INIZCTEOSA-N 2 2 386.359 2.497 20 0 GEADLP Cc1sccc1C[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000293661499 532930175 /nfs/dbraw/zinc/93/01/75/532930175.db2.gz UAWZKUMPWCFZPA-UHFFFAOYSA-N 2 2 379.551 2.282 20 0 GEADLP O=S1(=O)CC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CSCCc4ccccc43)CC2)C1 ZINC000368040807 532929938 /nfs/dbraw/zinc/92/99/38/532929938.db2.gz SYJRYBOUCANZMJ-IEBWSBKVSA-N 2 2 380.579 2.258 20 0 GEADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3ccc(Br)s3)C2)CC1 ZINC000369334237 532938653 /nfs/dbraw/zinc/93/86/53/532938653.db2.gz DIKNGGXMFNBQOJ-LBPRGKRZSA-N 2 2 386.359 2.338 20 0 GEADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3ccc(Br)s3)C2)CC1 ZINC000369334237 532938655 /nfs/dbraw/zinc/93/86/55/532938655.db2.gz DIKNGGXMFNBQOJ-LBPRGKRZSA-N 2 2 386.359 2.338 20 0 GEADLP COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000737032481 598984982 /nfs/dbraw/zinc/98/49/82/598984982.db2.gz LFPRNTIAGUIHJZ-OAHLLOKOSA-N 2 2 395.467 2.083 20 0 GEADLP COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000737032481 598984983 /nfs/dbraw/zinc/98/49/83/598984983.db2.gz LFPRNTIAGUIHJZ-OAHLLOKOSA-N 2 2 395.467 2.083 20 0 GEADLP Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3cc[nH+]c3C)C2)c(-c2nn[nH]n2)c1C ZINC000737547353 598368781 /nfs/dbraw/zinc/36/87/81/598368781.db2.gz KBIUBXQFXJFNNC-SWLSCSKDSA-N 2 2 398.471 2.246 20 0 GEADLP Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](n3cc[nH+]c3C)C2)c(-c2nn[nH]n2)c1C ZINC000737547353 598368784 /nfs/dbraw/zinc/36/87/84/598368784.db2.gz KBIUBXQFXJFNNC-SWLSCSKDSA-N 2 2 398.471 2.246 20 0 GEADLP CC[N@@H+]1CCC[C@@H](Nc2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000736572603 598744405 /nfs/dbraw/zinc/74/44/05/598744405.db2.gz VXAQHRZVXZXVFD-LLVKDONJSA-N 2 2 389.410 2.334 20 0 GEADLP CC[N@H+]1CCC[C@@H](Nc2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000736572603 598744407 /nfs/dbraw/zinc/74/44/07/598744407.db2.gz VXAQHRZVXZXVFD-LLVKDONJSA-N 2 2 389.410 2.334 20 0 GEADLP Cc1cccc2c(NC3CC[NH+](C[C@@H]4CCCO4)CC3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822336874 599474615 /nfs/dbraw/zinc/47/46/15/599474615.db2.gz SHKWRYBOICFKAE-INIZCTEOSA-N 2 2 393.495 2.201 20 0 GEADLP CCOCC[N@@H+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)C[C@@H]1C ZINC000821378169 599534287 /nfs/dbraw/zinc/53/42/87/599534287.db2.gz KIMZWEUEENZMEW-HNNXBMFYSA-N 2 2 381.484 2.270 20 0 GEADLP CCOCC[N@H+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)C[C@@H]1C ZINC000821378169 599534290 /nfs/dbraw/zinc/53/42/90/599534290.db2.gz KIMZWEUEENZMEW-HNNXBMFYSA-N 2 2 381.484 2.270 20 0 GEADLP Cc1cccc2c(NC3CC[NH+](CCOC(C)C)CC3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822334932 606164874 /nfs/dbraw/zinc/16/48/74/606164874.db2.gz HZCKDIPTRYJHHL-UHFFFAOYSA-N 2 2 395.511 2.447 20 0 GEADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)c2c1 ZINC000822195067 606227369 /nfs/dbraw/zinc/22/73/69/606227369.db2.gz GBJXMCGOBXXIOR-CRAIPNDOSA-N 2 2 393.495 2.189 20 0 GEADLP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823683009 606854980 /nfs/dbraw/zinc/85/49/80/606854980.db2.gz XKRMCEWFGLZRPK-NRFANRHFSA-N 2 2 392.507 2.197 20 0 GEADLP C[C@@H]1CC[N@H+](Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000820728128 607025314 /nfs/dbraw/zinc/02/53/14/607025314.db2.gz TXWGYSYCMODKLX-BEFAXECRSA-N 2 2 389.467 2.467 20 0 GEADLP C[C@@H]1CC[N@@H+](Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000820728128 607025317 /nfs/dbraw/zinc/02/53/17/607025317.db2.gz TXWGYSYCMODKLX-BEFAXECRSA-N 2 2 389.467 2.467 20 0 GEADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000826523731 607849854 /nfs/dbraw/zinc/84/98/54/607849854.db2.gz WFGKYKLTZUUJIO-INIZCTEOSA-N 2 2 393.495 2.496 20 0 GEADLP O=C(CC[NH+]1CCC(Nc2cccc[nH+]2)CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826407510 608045471 /nfs/dbraw/zinc/04/54/71/608045471.db2.gz PODDPXRRZDBGKQ-UHFFFAOYSA-N 2 2 392.467 2.167 20 0 GEADLP C[N@H+](CCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1)Cc1ccccc1 ZINC000825938950 608682645 /nfs/dbraw/zinc/68/26/45/608682645.db2.gz ZTNRMCHDTLFYMF-UHFFFAOYSA-N 2 2 397.552 2.178 20 0 GEADLP C[N@@H+](CCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1)Cc1ccccc1 ZINC000825938950 608682649 /nfs/dbraw/zinc/68/26/49/608682649.db2.gz ZTNRMCHDTLFYMF-UHFFFAOYSA-N 2 2 397.552 2.178 20 0 GEADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)nc[nH+]1 ZINC000826090990 609341577 /nfs/dbraw/zinc/34/15/77/609341577.db2.gz UGEOKWHKNOKTET-GXTWGEPZSA-N 2 2 397.462 2.157 20 0 GEADLP Cc1nc(N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)c2c([nH+]1)CCCC2 ZINC000826328671 609438028 /nfs/dbraw/zinc/43/80/28/609438028.db2.gz YZCMDYICSVVZGP-UHFFFAOYSA-N 2 2 392.511 2.412 20 0 GEADLP CCOc1cc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc(Br)c1O ZINC000459486825 650425841 /nfs/dbraw/zinc/42/58/41/650425841.db2.gz XDAOMPVXKPUWTF-UHFFFAOYSA-N 2 2 387.318 2.490 20 0 GEADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCc2cccc(Br)c2)CC1 ZINC000463412747 650495096 /nfs/dbraw/zinc/49/50/96/650495096.db2.gz JEBIVQKDRWKKDQ-OAHLLOKOSA-N 2 2 382.346 2.476 20 0 GEADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCc2cccc(Br)c2)CC1 ZINC000463412747 650495099 /nfs/dbraw/zinc/49/50/99/650495099.db2.gz JEBIVQKDRWKKDQ-OAHLLOKOSA-N 2 2 382.346 2.476 20 0 GEADLP C[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)N1CC[NH+](C)CC1 ZINC000469498621 650510725 /nfs/dbraw/zinc/51/07/25/650510725.db2.gz ZGIRZBLAVKCCNZ-CYBMUJFWSA-N 2 2 383.334 2.085 20 0 GEADLP C[NH+]1CCN(C(=O)C[N@@H+](Cc2cccc(Br)c2)CC2CC2)CC1 ZINC000475750414 650537186 /nfs/dbraw/zinc/53/71/86/650537186.db2.gz SYMYZTRQCFPCPP-UHFFFAOYSA-N 2 2 380.330 2.435 20 0 GEADLP C[NH+]1CCN(C(=O)C[N@H+](Cc2cccc(Br)c2)CC2CC2)CC1 ZINC000475750414 650537191 /nfs/dbraw/zinc/53/71/91/650537191.db2.gz SYMYZTRQCFPCPP-UHFFFAOYSA-N 2 2 380.330 2.435 20 0 GEADLP OCC[NH+]1CCN(CCCC[NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000513864150 650570748 /nfs/dbraw/zinc/57/07/48/650570748.db2.gz QSCAOXLJIGRSGP-LJQANCHMSA-N 2 2 396.373 2.416 20 0 GEADLP Cc1cc(N2CC[C@H]([NH2+][C@H](C)C[C@@H]3COCC[NH2+]3)C2=O)ccc1Br ZINC000521423705 650617302 /nfs/dbraw/zinc/61/73/02/650617302.db2.gz IPZTWPKFRXVEMI-CPUCHLNUSA-N 2 2 396.329 2.219 20 0 GEADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(I)c2)C1 ZINC000484920636 650691197 /nfs/dbraw/zinc/69/11/97/650691197.db2.gz XLDNQNCKJOEBTK-SDDRHHMPSA-N 2 2 387.265 2.287 20 0 GEADLP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(I)c2)C1 ZINC000484920636 650691198 /nfs/dbraw/zinc/69/11/98/650691198.db2.gz XLDNQNCKJOEBTK-SDDRHHMPSA-N 2 2 387.265 2.287 20 0 GEADLP C[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CCSCC2)[C@H]1c1ccc(Cl)cc1 ZINC000535505345 650788059 /nfs/dbraw/zinc/78/80/59/650788059.db2.gz ZTQYLKIHMMKXQP-DLBZAZTESA-N 2 2 382.961 2.433 20 0 GEADLP C[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CCSCC2)[C@H]1c1ccc(Cl)cc1 ZINC000535505345 650788064 /nfs/dbraw/zinc/78/80/64/650788064.db2.gz ZTQYLKIHMMKXQP-DLBZAZTESA-N 2 2 382.961 2.433 20 0 GEADLP C[N@H+](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1)[C@H]1CCSC1 ZINC000128405644 643801748 /nfs/dbraw/zinc/80/17/48/643801748.db2.gz VLAWVOPAWNUSHS-HNNXBMFYSA-N 2 2 382.961 2.468 20 0 GEADLP C[N@@H+](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1)[C@H]1CCSC1 ZINC000128405644 643801750 /nfs/dbraw/zinc/80/17/50/643801750.db2.gz VLAWVOPAWNUSHS-HNNXBMFYSA-N 2 2 382.961 2.468 20 0 GEADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)Cn2cc(Br)cn2)nc[nH+]1 ZINC000180571295 644508113 /nfs/dbraw/zinc/50/81/13/644508113.db2.gz SAUMZCRGKQYFQY-GXTWGEPZSA-N 2 2 394.321 2.124 20 0 GEADLP C[NH+](C)C1CC[NH+](CCNc2ncnc3cc(F)c(Br)cc32)CC1 ZINC000547284577 651020567 /nfs/dbraw/zinc/02/05/67/651020567.db2.gz FCWNKNOZIAWPEK-UHFFFAOYSA-N 2 2 396.308 2.969 20 0 GEADLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280843883 646724454 /nfs/dbraw/zinc/72/44/54/646724454.db2.gz ZCOJWCGZMDORTG-GFCCVEGCSA-N 2 2 390.347 2.233 20 0 GEADLP Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(Br)n1 ZINC000362177751 647567705 /nfs/dbraw/zinc/56/77/05/647567705.db2.gz LKBRFVUDWGUOKK-OAHLLOKOSA-N 2 2 395.345 2.393 20 0 GEADLP Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(Br)n1 ZINC000362177751 647567713 /nfs/dbraw/zinc/56/77/13/647567713.db2.gz LKBRFVUDWGUOKK-OAHLLOKOSA-N 2 2 395.345 2.393 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@H](C)[NH2+]C[C@H]3C)[nH+]c12 ZINC000417995349 648268207 /nfs/dbraw/zinc/26/82/07/648268207.db2.gz ATUZLEPAHBQNJX-QWHCGFSZSA-N 2 2 394.317 2.340 20 0 GEADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000418668145 648306902 /nfs/dbraw/zinc/30/69/02/648306902.db2.gz HPTJXAQHDVFGPZ-HALDLXJZSA-N 2 2 383.323 2.081 20 0 GEADLP C[C@@H]([NH3+])[C@H](C)NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000418720494 648308429 /nfs/dbraw/zinc/30/84/29/648308429.db2.gz JXLSTXSBVQKCDE-NEPJUHHUSA-N 2 2 384.278 2.186 20 0 GEADLP CN(CCOc1ccc(Br)cc1)C(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420363652 648414092 /nfs/dbraw/zinc/41/40/92/648414092.db2.gz OFIGEXJMHLLKAI-OAHLLOKOSA-N 2 2 386.334 2.249 20 0 GEADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000420360374 648414110 /nfs/dbraw/zinc/41/41/10/648414110.db2.gz LESVQFOPTXRESO-ZDUSSCGKSA-N 2 2 387.265 2.207 20 0 GEADLP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422958156 648578942 /nfs/dbraw/zinc/57/89/42/648578942.db2.gz WVKLOADFUYWSLK-UKRRQHHQSA-N 2 2 384.318 2.443 20 0 GEADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000423112372 648581467 /nfs/dbraw/zinc/58/14/67/648581467.db2.gz XHRUTITUNGCPQG-ZIAGYGMSSA-N 2 2 387.265 2.479 20 0 GEADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000423170274 648586600 /nfs/dbraw/zinc/58/66/00/648586600.db2.gz LMNPZGIAWXLIBF-MRRJBJDNSA-N 2 2 389.309 2.096 20 0 GEADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423258254 648588919 /nfs/dbraw/zinc/58/89/19/648588919.db2.gz BECSNAWFWNYQTE-ZYHUDNBSSA-N 2 2 378.336 2.121 20 0 GEADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000423258151 648589016 /nfs/dbraw/zinc/58/90/16/648589016.db2.gz BECSNAWFWNYQTE-CMPLNLGQSA-N 2 2 378.336 2.121 20 0 GEADLP COc1cc2[nH+]ccc(NCC[NH+]3CCN(C)CC3)c2cc1Br ZINC000425211971 648671757 /nfs/dbraw/zinc/67/17/57/648671757.db2.gz VBPPUZXYKNSTNF-UHFFFAOYSA-N 2 2 379.302 2.087 20 0 GEADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000430550477 648763407 /nfs/dbraw/zinc/76/34/07/648763407.db2.gz GKIIMADGGCFJKG-AWEZNQCLSA-N 2 2 375.254 2.193 20 0 GEADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000555548005 651228790 /nfs/dbraw/zinc/22/87/90/651228790.db2.gz ZFHVYJSSIZXBPF-RHSMWYFYSA-N 2 2 380.330 2.236 20 0 GEADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000555548005 651228793 /nfs/dbraw/zinc/22/87/93/651228793.db2.gz ZFHVYJSSIZXBPF-RHSMWYFYSA-N 2 2 380.330 2.236 20 0 GEADLP Brc1ccc(-c2noc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)s1 ZINC000643072482 651477515 /nfs/dbraw/zinc/47/75/15/651477515.db2.gz YXKKYWIGEGKPSY-LLVKDONJSA-N 2 2 398.330 2.040 20 0 GEADLP Brc1ccc(-c2noc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)s1 ZINC000643072482 651477517 /nfs/dbraw/zinc/47/75/17/651477517.db2.gz YXKKYWIGEGKPSY-LLVKDONJSA-N 2 2 398.330 2.040 20 0 GEADLP COc1cc(Br)c(C[N@H+](C)CCCN(C)CC[NH+](C)C)cc1O ZINC000561986091 651485917 /nfs/dbraw/zinc/48/59/17/651485917.db2.gz NWAKYORQUDHYRX-UHFFFAOYSA-N 2 2 388.350 2.479 20 0 GEADLP COc1cc(Br)c(C[N@@H+](C)CCCN(C)CC[NH+](C)C)cc1O ZINC000561986091 651485919 /nfs/dbraw/zinc/48/59/19/651485919.db2.gz NWAKYORQUDHYRX-UHFFFAOYSA-N 2 2 388.350 2.479 20 0 GEADLP Cc1cc(Br)cn2c(CN3C[C@@H](c4cnn(C)c4)[C@H]([NH3+])C3)c[nH+]c12 ZINC000564793667 651579665 /nfs/dbraw/zinc/57/96/65/651579665.db2.gz ZTBHUOTYEYMCAS-JKSUJKDBSA-N 2 2 389.301 2.065 20 0 GEADLP C[C@]([NH3+])(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Br)cc1 ZINC000646264985 651684429 /nfs/dbraw/zinc/68/44/29/651684429.db2.gz IEOQDQZIVNCMKS-CRAIPNDOSA-N 2 2 389.297 2.413 20 0 GEADLP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCO1 ZINC000646854017 651724205 /nfs/dbraw/zinc/72/42/05/651724205.db2.gz OUYJRVBFUYEDDQ-IAOVAPTHSA-N 2 2 396.329 2.161 20 0 GEADLP CO[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@@H](C[NH3+])C1 ZINC000569811464 651726116 /nfs/dbraw/zinc/72/61/16/651726116.db2.gz ZBVMJRLEGPSEPR-OLZOCXBDSA-N 2 2 388.281 2.355 20 0 GEADLP CO[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@@H](C[NH3+])C1 ZINC000569811464 651726124 /nfs/dbraw/zinc/72/61/24/651726124.db2.gz ZBVMJRLEGPSEPR-OLZOCXBDSA-N 2 2 388.281 2.355 20 0 GEADLP CC[C@H]1C[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000647937921 651767258 /nfs/dbraw/zinc/76/72/58/651767258.db2.gz DWESHDNLHGFRLE-YOEHRIQHSA-N 2 2 398.345 2.346 20 0 GEADLP CC[C@H]1C[N@@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000647937921 651767262 /nfs/dbraw/zinc/76/72/62/651767262.db2.gz DWESHDNLHGFRLE-YOEHRIQHSA-N 2 2 398.345 2.346 20 0 GEADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)ccc1Br ZINC000647985526 651768409 /nfs/dbraw/zinc/76/84/09/651768409.db2.gz RIIINQRMXNHSMX-CQSZACIVSA-N 2 2 396.329 2.383 20 0 GEADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)ccc1Br ZINC000647985526 651768415 /nfs/dbraw/zinc/76/84/15/651768415.db2.gz RIIINQRMXNHSMX-CQSZACIVSA-N 2 2 396.329 2.383 20 0 GEADLP C[C@@H]1[C@H](C)[S@@](=O)CC[NH+]1CCCCCC[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000736628839 651829253 /nfs/dbraw/zinc/82/92/53/651829253.db2.gz KUHCYUPNKYHSHN-DRMURKMPSA-N 2 2 376.632 2.229 20 0 GEADLP C[C@@H]1[C@H](C)[S@@](=O)CC[NH+]1CCCCCC[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000736628839 651829255 /nfs/dbraw/zinc/82/92/55/651829255.db2.gz KUHCYUPNKYHSHN-DRMURKMPSA-N 2 2 376.632 2.229 20 0 GEADLP C[NH+](C)CC1CC[NH+](CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)CC1 ZINC000738077448 651879514 /nfs/dbraw/zinc/87/95/14/651879514.db2.gz UZBNIVLURLGIHW-KRWDZBQOSA-N 2 2 384.933 2.400 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c(F)cc(Br)cc1F ZINC000617765819 651971857 /nfs/dbraw/zinc/97/18/57/651971857.db2.gz RHTVRHNIYFXXMZ-UHFFFAOYSA-N 2 2 378.261 2.341 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c(F)cc(Br)cc1F ZINC000617765819 651971861 /nfs/dbraw/zinc/97/18/61/651971861.db2.gz RHTVRHNIYFXXMZ-UHFFFAOYSA-N 2 2 378.261 2.341 20 0 GEADLP Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000655752088 652009837 /nfs/dbraw/zinc/00/98/37/652009837.db2.gz ISOVQCBJRCNDBZ-QGZVFWFLSA-N 2 2 381.318 2.345 20 0 GEADLP COc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(Br)cn1 ZINC000621247965 652137667 /nfs/dbraw/zinc/13/76/67/652137667.db2.gz PWUBGLROTBFHII-UHFFFAOYSA-N 2 2 384.318 2.397 20 0 GEADLP O[C@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)COc1cc(F)cc(Br)c1 ZINC000578880659 652301576 /nfs/dbraw/zinc/30/15/76/652301576.db2.gz KCXDMASRHMYKOK-ZIAGYGMSSA-N 2 2 384.249 2.129 20 0 GEADLP Cc1nn(-c2ccc(Br)cc2)cc1CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000579837387 652356756 /nfs/dbraw/zinc/35/67/56/652356756.db2.gz ADNXLPCDWUEIRE-QGZVFWFLSA-N 2 2 378.318 2.018 20 0 GEADLP Cc1nn(-c2ccc(Br)cc2)cc1CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000579837387 652356760 /nfs/dbraw/zinc/35/67/60/652356760.db2.gz ADNXLPCDWUEIRE-QGZVFWFLSA-N 2 2 378.318 2.018 20 0 GEADLP Cc1cc(Br)cn2cc(CCNC(=O)N3CC4CC3(C[NH3+])C4)[nH+]c12 ZINC000659479780 652359167 /nfs/dbraw/zinc/35/91/67/652359167.db2.gz CJAPQOVZGHJSPT-UHFFFAOYSA-N 2 2 392.301 2.080 20 0 GEADLP O=C1NCC[C@@H]1CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000579969093 652361903 /nfs/dbraw/zinc/36/19/03/652361903.db2.gz CLKKDIPRXJMPBE-CYBMUJFWSA-N 2 2 381.274 2.267 20 0 GEADLP O=C1NCC[C@@H]1CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000579969093 652361905 /nfs/dbraw/zinc/36/19/05/652361905.db2.gz CLKKDIPRXJMPBE-CYBMUJFWSA-N 2 2 381.274 2.267 20 0 GEADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](Sc3ccc(Br)cc3)C2)CC1 ZINC000625704397 652368404 /nfs/dbraw/zinc/36/84/04/652368404.db2.gz MDYYAQVWYOKUED-MRXNPFEDSA-N 2 2 398.370 2.390 20 0 GEADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](Sc3ccc(Br)cc3)C2)CC1 ZINC000625704397 652368407 /nfs/dbraw/zinc/36/84/07/652368407.db2.gz MDYYAQVWYOKUED-MRXNPFEDSA-N 2 2 398.370 2.390 20 0 GEADLP O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662160146 652450056 /nfs/dbraw/zinc/45/00/56/652450056.db2.gz MTOLYYXSRGEQGJ-GJZGRUSLSA-N 2 2 389.323 2.264 20 0 GEADLP O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662160146 652450058 /nfs/dbraw/zinc/45/00/58/652450058.db2.gz MTOLYYXSRGEQGJ-GJZGRUSLSA-N 2 2 389.323 2.264 20 0 GEADLP COC(=O)c1nn(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C)c1Br ZINC000755775296 652475946 /nfs/dbraw/zinc/47/59/46/652475946.db2.gz PMPNBXJIYSWGFT-CQSZACIVSA-N 2 2 399.333 2.362 20 0 GEADLP COC(=O)c1nn(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C)c1Br ZINC000755775296 652475949 /nfs/dbraw/zinc/47/59/49/652475949.db2.gz PMPNBXJIYSWGFT-CQSZACIVSA-N 2 2 399.333 2.362 20 0 GEADLP COC(=O)c1nn(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(C)c1Br ZINC000755775295 652476029 /nfs/dbraw/zinc/47/60/29/652476029.db2.gz PMPNBXJIYSWGFT-AWEZNQCLSA-N 2 2 399.333 2.362 20 0 GEADLP COC(=O)c1nn(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(C)c1Br ZINC000755775295 652476031 /nfs/dbraw/zinc/47/60/31/652476031.db2.gz PMPNBXJIYSWGFT-AWEZNQCLSA-N 2 2 399.333 2.362 20 0 GEADLP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1ccc(Br)cc1Cl ZINC000629566942 652493913 /nfs/dbraw/zinc/49/39/13/652493913.db2.gz CBZGVJXOVPCLPV-UHFFFAOYSA-N 2 2 378.698 2.209 20 0 GEADLP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1ccc(Br)cc1Cl ZINC000629566942 652493918 /nfs/dbraw/zinc/49/39/18/652493918.db2.gz CBZGVJXOVPCLPV-UHFFFAOYSA-N 2 2 378.698 2.209 20 0 GEADLP Cc1nc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(Br)s1 ZINC000665295132 652550551 /nfs/dbraw/zinc/55/05/51/652550551.db2.gz QALQTSBNNWSWQE-NSHDSACASA-N 2 2 387.347 2.112 20 0 GEADLP Cc1nc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(Br)s1 ZINC000665295132 652550554 /nfs/dbraw/zinc/55/05/54/652550554.db2.gz QALQTSBNNWSWQE-NSHDSACASA-N 2 2 387.347 2.112 20 0 GEADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)Nc1ccc(I)cc1)C2 ZINC000593736284 652634286 /nfs/dbraw/zinc/63/42/86/652634286.db2.gz LOZGAOIZEBNASS-LRDDRELGSA-N 2 2 399.276 2.291 20 0 GEADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)Nc1ccc(I)cc1)C2 ZINC000593736284 652634290 /nfs/dbraw/zinc/63/42/90/652634290.db2.gz LOZGAOIZEBNASS-LRDDRELGSA-N 2 2 399.276 2.291 20 0 GEADLP Cc1c(Br)cncc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668618433 652652895 /nfs/dbraw/zinc/65/28/95/652652895.db2.gz QZNLCPVSFYZRSU-HNNXBMFYSA-N 2 2 395.345 2.393 20 0 GEADLP Cc1c(Br)cncc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668618433 652652902 /nfs/dbraw/zinc/65/29/02/652652902.db2.gz QZNLCPVSFYZRSU-HNNXBMFYSA-N 2 2 395.345 2.393 20 0 GEADLP C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)N1CC[NH+](C)CC1 ZINC000640060043 653094696 /nfs/dbraw/zinc/09/46/96/653094696.db2.gz XPVOIPLQFMPLNU-UHFFFAOYSA-N 2 2 387.311 2.028 20 0 GEADLP C[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)N1CC[NH+](C)CC1 ZINC000640060043 653094701 /nfs/dbraw/zinc/09/47/01/653094701.db2.gz XPVOIPLQFMPLNU-UHFFFAOYSA-N 2 2 387.311 2.028 20 0 GEADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC1 ZINC000679336321 653144175 /nfs/dbraw/zinc/14/41/75/653144175.db2.gz LHPKBUAXEDLCBM-WMZOPIPTSA-N 2 2 396.329 2.033 20 0 GEADLP CN(C(=O)NCC[C@@H]1CC1(Cl)Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000856946115 653259069 /nfs/dbraw/zinc/25/90/69/653259069.db2.gz FACYZXBXTVBFJH-HIFRSBDPSA-N 2 2 377.360 2.380 20 0 GEADLP CN(C(=O)NCC[C@@H]1CC1(Cl)Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000856946115 653259073 /nfs/dbraw/zinc/25/90/73/653259073.db2.gz FACYZXBXTVBFJH-HIFRSBDPSA-N 2 2 377.360 2.380 20 0 GEADLP Ic1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)s1 ZINC000877022734 653460888 /nfs/dbraw/zinc/46/08/88/653460888.db2.gz RAKUBQMSCZJAEZ-QWRGUYRKSA-N 2 2 378.279 2.306 20 0 GEADLP Ic1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)s1 ZINC000877022734 653460890 /nfs/dbraw/zinc/46/08/90/653460890.db2.gz RAKUBQMSCZJAEZ-QWRGUYRKSA-N 2 2 378.279 2.306 20 0 GEADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cn(C)nc3Br)CC2)CC1 ZINC000862397804 653685212 /nfs/dbraw/zinc/68/52/12/653685212.db2.gz XCEMBZYDNQSCME-UHFFFAOYSA-N 2 2 384.366 2.175 20 0 GEADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cn(C)nc3Br)CC2)CC1 ZINC000862397804 653685215 /nfs/dbraw/zinc/68/52/15/653685215.db2.gz XCEMBZYDNQSCME-UHFFFAOYSA-N 2 2 384.366 2.175 20 0 GEADLP CC[C@H]([NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000817917477 653722705 /nfs/dbraw/zinc/72/27/05/653722705.db2.gz OYMJVYAHDXOYEN-GJZGRUSLSA-N 2 2 380.432 2.479 20 0 GEADLP O[C@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000819076481 653742519 /nfs/dbraw/zinc/74/25/19/653742519.db2.gz CWOQLSSGLHXYFX-CRAIPNDOSA-N 2 2 388.339 2.023 20 0 GEADLP CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000865255488 653758143 /nfs/dbraw/zinc/75/81/43/653758143.db2.gz SOXHUXGMSOKJEC-MRXNPFEDSA-N 2 2 379.599 2.083 20 0 GEADLP CC[N@H+]1CCC[C@@H]1CNC(=S)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000865255488 653758148 /nfs/dbraw/zinc/75/81/48/653758148.db2.gz SOXHUXGMSOKJEC-MRXNPFEDSA-N 2 2 379.599 2.083 20 0 GEADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000842676855 653762503 /nfs/dbraw/zinc/76/25/03/653762503.db2.gz OHFJYWVYQCECGL-NSHDSACASA-N 2 2 389.725 2.175 20 0 GEADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000842676855 653762507 /nfs/dbraw/zinc/76/25/07/653762507.db2.gz OHFJYWVYQCECGL-NSHDSACASA-N 2 2 389.725 2.175 20 0 GEADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cccnc2Br)CC1 ZINC000865431977 653765154 /nfs/dbraw/zinc/76/51/54/653765154.db2.gz UNQUVARBZYLEAW-UHFFFAOYSA-N 2 2 376.302 2.281 20 0 GEADLP COc1ncc(Br)cc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000865495154 653766732 /nfs/dbraw/zinc/76/67/32/653766732.db2.gz JSKDPVOPPVCRQA-HOTGVXAUSA-N 2 2 384.318 2.320 20 0 GEADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H]([NH3+])c2ccc(Br)cc2)C[C@H](C)O1 ZINC000884312483 653871483 /nfs/dbraw/zinc/87/14/83/653871483.db2.gz GPQIVHSDJGVPBR-DVOMOZLQSA-N 2 2 384.318 2.017 20 0 GEADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H]([NH3+])c2ccc(Br)cc2)C[C@H](C)O1 ZINC000884312483 653871488 /nfs/dbraw/zinc/87/14/88/653871488.db2.gz GPQIVHSDJGVPBR-DVOMOZLQSA-N 2 2 384.318 2.017 20 0 GEADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cn3nc(Br)c(=O)c4ccccc43)C2)C1 ZINC000793763135 653884474 /nfs/dbraw/zinc/88/44/74/653884474.db2.gz CETXWMMKYJEKEP-QGZVFWFLSA-N 2 2 377.286 2.144 20 0 GEADLP C[N@H+]1CC[C@@]2(CC[NH+](Cn3nc(Br)c(=O)c4ccccc43)C2)C1 ZINC000793763135 653884481 /nfs/dbraw/zinc/88/44/81/653884481.db2.gz CETXWMMKYJEKEP-QGZVFWFLSA-N 2 2 377.286 2.144 20 0 GEADLP C[NH+]1CC[C@@]2(CC[N@H+](Cn3nc(Br)c(=O)c4ccccc43)C2)C1 ZINC000793763135 653884487 /nfs/dbraw/zinc/88/44/87/653884487.db2.gz CETXWMMKYJEKEP-QGZVFWFLSA-N 2 2 377.286 2.144 20 0 GEADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cn3nc(Br)c(=O)c4ccccc43)C2)C1 ZINC000793763135 653884492 /nfs/dbraw/zinc/88/44/92/653884492.db2.gz CETXWMMKYJEKEP-QGZVFWFLSA-N 2 2 377.286 2.144 20 0 GEADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000846778742 653910204 /nfs/dbraw/zinc/91/02/04/653910204.db2.gz JXNWTAXOPPSVJD-MSOLQXFVSA-N 2 2 385.346 2.395 20 0 GEADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000846778742 653910208 /nfs/dbraw/zinc/91/02/08/653910208.db2.gz JXNWTAXOPPSVJD-MSOLQXFVSA-N 2 2 385.346 2.395 20 0 GEADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000846778742 653910212 /nfs/dbraw/zinc/91/02/12/653910212.db2.gz JXNWTAXOPPSVJD-MSOLQXFVSA-N 2 2 385.346 2.395 20 0 GEADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000846778742 653910214 /nfs/dbraw/zinc/91/02/14/653910214.db2.gz JXNWTAXOPPSVJD-MSOLQXFVSA-N 2 2 385.346 2.395 20 0 GEADLP O[C@@H](CN(CCn1cc[nH+]c1)Cc1ccc(Br)o1)C[NH+]1CCCC1 ZINC000796191571 653990707 /nfs/dbraw/zinc/99/07/07/653990707.db2.gz LSAZYZMGLHBWAN-OAHLLOKOSA-N 2 2 397.317 2.198 20 0 GEADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000796287451 653995190 /nfs/dbraw/zinc/99/51/90/653995190.db2.gz ANDLJTWJGBTXQU-GFCCVEGCSA-N 2 2 384.311 2.318 20 0 GEADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000796287451 653995194 /nfs/dbraw/zinc/99/51/94/653995194.db2.gz ANDLJTWJGBTXQU-GFCCVEGCSA-N 2 2 384.311 2.318 20 0 GEADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)s1 ZINC000796311096 653995489 /nfs/dbraw/zinc/99/54/89/653995489.db2.gz SSJABRANOWXRPN-CQSZACIVSA-N 2 2 383.901 2.453 20 0 GEADLP COc1ncc(Br)cc1CN(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000851873259 654196338 /nfs/dbraw/zinc/19/63/38/654196338.db2.gz UKYUPEMXXRTZCT-QGZVFWFLSA-N 2 2 397.361 2.453 20 0 GEADLP COc1ncc(Br)cc1CN(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000851873259 654196341 /nfs/dbraw/zinc/19/63/41/654196341.db2.gz UKYUPEMXXRTZCT-QGZVFWFLSA-N 2 2 397.361 2.453 20 0 GEADLP CC(C)OCC[NH+]1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870896523 654206150 /nfs/dbraw/zinc/20/61/50/654206150.db2.gz VCFXPSVRABTXMR-MRXNPFEDSA-N 2 2 384.318 2.018 20 0 GEADLP C[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000903755266 654282383 /nfs/dbraw/zinc/28/23/83/654282383.db2.gz DNNMPHLNWIPAMI-JKSUJKDBSA-N 2 2 396.329 2.066 20 0 GEADLP C[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000903755266 654282386 /nfs/dbraw/zinc/28/23/86/654282386.db2.gz DNNMPHLNWIPAMI-JKSUJKDBSA-N 2 2 396.329 2.066 20 0 GEADLP Cc1[nH+]ccc(N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1Br ZINC000891831616 654313571 /nfs/dbraw/zinc/31/35/71/654313571.db2.gz YKWUQMZNWZDJDM-UHFFFAOYSA-N 2 2 381.318 2.143 20 0 GEADLP CCn1c(Br)c(Br)nc1C[NH2+]CCc1c[nH+]cn1C ZINC000922274291 654381028 /nfs/dbraw/zinc/38/10/28/654381028.db2.gz WARMMZJLSNUTDK-UHFFFAOYSA-N 2 2 391.111 2.494 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1cc(C(F)(F)F)cc(Cl)n1 ZINC000855414984 654418169 /nfs/dbraw/zinc/41/81/69/654418169.db2.gz OYOICVKWOGGUNY-UHFFFAOYSA-N 2 2 380.842 2.296 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1cc(C(F)(F)F)cc(Cl)n1 ZINC000855414984 654418173 /nfs/dbraw/zinc/41/81/73/654418173.db2.gz OYOICVKWOGGUNY-UHFFFAOYSA-N 2 2 380.842 2.296 20 0 GEADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000855415000 654418184 /nfs/dbraw/zinc/41/81/84/654418184.db2.gz PILKLYVDRVCPMZ-INIZCTEOSA-N 2 2 376.328 2.417 20 0 GEADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000855415000 654418187 /nfs/dbraw/zinc/41/81/87/654418187.db2.gz PILKLYVDRVCPMZ-INIZCTEOSA-N 2 2 376.328 2.417 20 0 GEADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1c(I)cnn1C ZINC000873276329 654423635 /nfs/dbraw/zinc/42/36/35/654423635.db2.gz OOTCFURDTNPKQJ-VIFPVBQESA-N 2 2 385.253 2.038 20 0 GEADLP COC(=O)c1cnc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000894140907 654449673 /nfs/dbraw/zinc/44/96/73/654449673.db2.gz COQAQWDWCXMRMT-ZDUSSCGKSA-N 2 2 380.539 2.070 20 0 GEADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(Br)n1 ZINC000924902186 654528521 /nfs/dbraw/zinc/52/85/21/654528521.db2.gz NBWMFPQRXVJJBY-HIFRSBDPSA-N 2 2 383.334 2.437 20 0 GEADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(Br)n1 ZINC000924902186 654528527 /nfs/dbraw/zinc/52/85/27/654528527.db2.gz NBWMFPQRXVJJBY-HIFRSBDPSA-N 2 2 383.334 2.437 20 0 GEADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2cc(Br)c(F)cc2F)CC1 ZINC000926101697 654558994 /nfs/dbraw/zinc/55/89/94/654558994.db2.gz WSAMWTPPTVROPV-UHFFFAOYSA-N 2 2 377.233 2.272 20 0 GEADLP Cc1cc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cnc1Br ZINC000929952531 654695992 /nfs/dbraw/zinc/69/59/92/654695992.db2.gz IODYPDQOLABSTP-UHFFFAOYSA-N 2 2 383.334 2.042 20 0 GEADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]2c2cncc(Br)c2)CC1 ZINC000932248737 654772405 /nfs/dbraw/zinc/77/24/05/654772405.db2.gz JJWAKNTVZYNVOJ-INIZCTEOSA-N 2 2 381.318 2.145 20 0 GEADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]2c2cncc(Br)c2)CC1 ZINC000932248737 654772409 /nfs/dbraw/zinc/77/24/09/654772409.db2.gz JJWAKNTVZYNVOJ-INIZCTEOSA-N 2 2 381.318 2.145 20 0 GEADLP Cc1ccc(Br)c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000932578242 654782590 /nfs/dbraw/zinc/78/25/90/654782590.db2.gz VBAGPHKINFBAHT-OAHLLOKOSA-N 2 2 395.345 2.393 20 0 GEADLP Cc1ccc(Br)c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000932578242 654782592 /nfs/dbraw/zinc/78/25/92/654782592.db2.gz VBAGPHKINFBAHT-OAHLLOKOSA-N 2 2 395.345 2.393 20 0 GEADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCn2ncc(I)c2C1 ZINC000933112438 654802316 /nfs/dbraw/zinc/80/23/16/654802316.db2.gz UMMZDTDVHISZTJ-UHFFFAOYSA-N 2 2 385.253 2.289 20 0 GEADLP Cc1[nH+]ccn1CCCC[N@H+]1CCn2ncc(I)c2C1 ZINC000933112438 654802318 /nfs/dbraw/zinc/80/23/18/654802318.db2.gz UMMZDTDVHISZTJ-UHFFFAOYSA-N 2 2 385.253 2.289 20 0 GEADLP